Stojić, Dragica Lj.

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  • Stojić, Dragica Lj. (38)
  • Stojić, Dragica (1)

Author's Bibliography

Hydrogen Storage in Martensite Ti-Zr-Ni Alloy: A Density Functional Theory Study

Batalović, Katarina; Koteski, Vasil J.; Stojić, Dragica Lj.

(2013)

TY  - JOUR
AU  - Batalović, Katarina
AU  - Koteski, Vasil J.
AU  - Stojić, Dragica Lj.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5832
AB  - The hydrogen storage potential of TiNi-based shape memory alloys is an attractive but experimentally challenging issue. We employ the FP (L)APW+lo method, based on the density functional theory (DFT), in order to address the electronic structure of the low-temperature, martensitic phase of Ti0.67Zr0.33Ni and its hydrides. Further, the thermodynamics of hydride formation in the martensitic Ti-Zr-Ni alloys is studied, and some unanswered questions regarding the hydriding of martensite TiNi are resolved. The calculated formation energy of the orthorhombic beta- and gamma-hydrides of martensitic Ti0.67Zr0.33Ni is, respectively, -14.2 kJ/mol(H) and -29.6 kJ/mol(H), showing that isostructural (Ti,Zr)Ni hydrides with a larger amount of titanium have improved potential for hydrogen storage applications. Furthermore, based on the calculation results, it is unlikely that the hydriding of TiNi martensite would lead to the formation of orthorhombic beta-hydride in analogy to the pseudobinary compound. The formation of Ti0.67Zr0.33Ni hydrides leads to significant changes in electronic structure, causing shifting of some metal states to lower energies due to their interaction with hydrogen s states, and the increase of the number of states at Fermi energy. By modeling intermediate structures, the process of hydride formation in martensitic Ti0.67Zr0.33Ni is resolved to reveal the effects of crystal structure change, volume increase, and hydrogen-metal interactions on the band structure, charge transfer, and thermodynamics. A dominant, stabilizing effect in the process of hydride formation was found to come from the chemical interaction of hydrogen and metal atoms.
T2  - Journal of Physical Chemistry. C
T1  - Hydrogen Storage in Martensite Ti-Zr-Ni Alloy: A Density Functional Theory Study
VL  - 117
IS  - 51
SP  - 26914
EP  - 26920
DO  - 10.1021/jp4101448
ER  - 
@article{
author = "Batalović, Katarina and Koteski, Vasil J. and Stojić, Dragica Lj.",
year = "2013",
abstract = "The hydrogen storage potential of TiNi-based shape memory alloys is an attractive but experimentally challenging issue. We employ the FP (L)APW+lo method, based on the density functional theory (DFT), in order to address the electronic structure of the low-temperature, martensitic phase of Ti0.67Zr0.33Ni and its hydrides. Further, the thermodynamics of hydride formation in the martensitic Ti-Zr-Ni alloys is studied, and some unanswered questions regarding the hydriding of martensite TiNi are resolved. The calculated formation energy of the orthorhombic beta- and gamma-hydrides of martensitic Ti0.67Zr0.33Ni is, respectively, -14.2 kJ/mol(H) and -29.6 kJ/mol(H), showing that isostructural (Ti,Zr)Ni hydrides with a larger amount of titanium have improved potential for hydrogen storage applications. Furthermore, based on the calculation results, it is unlikely that the hydriding of TiNi martensite would lead to the formation of orthorhombic beta-hydride in analogy to the pseudobinary compound. The formation of Ti0.67Zr0.33Ni hydrides leads to significant changes in electronic structure, causing shifting of some metal states to lower energies due to their interaction with hydrogen s states, and the increase of the number of states at Fermi energy. By modeling intermediate structures, the process of hydride formation in martensitic Ti0.67Zr0.33Ni is resolved to reveal the effects of crystal structure change, volume increase, and hydrogen-metal interactions on the band structure, charge transfer, and thermodynamics. A dominant, stabilizing effect in the process of hydride formation was found to come from the chemical interaction of hydrogen and metal atoms.",
journal = "Journal of Physical Chemistry. C",
title = "Hydrogen Storage in Martensite Ti-Zr-Ni Alloy: A Density Functional Theory Study",
volume = "117",
number = "51",
pages = "26914-26920",
doi = "10.1021/jp4101448"
}
Batalović, K., Koteski, V. J.,& Stojić, D. Lj.. (2013). Hydrogen Storage in Martensite Ti-Zr-Ni Alloy: A Density Functional Theory Study. in Journal of Physical Chemistry. C, 117(51), 26914-26920.
https://doi.org/10.1021/jp4101448
Batalović K, Koteski VJ, Stojić DL. Hydrogen Storage in Martensite Ti-Zr-Ni Alloy: A Density Functional Theory Study. in Journal of Physical Chemistry. C. 2013;117(51):26914-26920.
doi:10.1021/jp4101448 .
Batalović, Katarina, Koteski, Vasil J., Stojić, Dragica Lj., "Hydrogen Storage in Martensite Ti-Zr-Ni Alloy: A Density Functional Theory Study" in Journal of Physical Chemistry. C, 117, no. 51 (2013):26914-26920,
https://doi.org/10.1021/jp4101448 . .
14
13
15

Kinetics of hydrogen absorption in Zr-based alloys

Cekić, Božidar Đ.; Ćirić, Katarina D.; Iordoc, Mihail; Marković, Smilja; Mitrić, Miodrag; Stojić, Dragica Lj.

(2013)

TY  - JOUR
AU  - Cekić, Božidar Đ.
AU  - Ćirić, Katarina D.
AU  - Iordoc, Mihail
AU  - Marković, Smilja
AU  - Mitrić, Miodrag
AU  - Stojić, Dragica Lj.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5386
AB  - The kinetics of hydrogen absorption in Zr-based alloys Zr-2.5Nb, Zr-10Nb, Zr-2.5Nb-3Ta and Zr-10Nb-12Ta have been investigated in the temperature range 673-973 K at 1 bar hydrogen pressure. The improvement in hydrogen kinetics and a slight decrease of maximal amount of hydrogen absorbed were observed upon cycling. The rate determining steps are as follows: geometrical contraction for all samples except Zr-10Nb-12Ta; diffusion in the beginning for Zr-10Nb at 973 K Zr-2.5Nb-3Ta at 673 K and 973 K; first order reaction Zr-10Nb-12Ta at all temperatures. The amount of additives, Nb and Ta, is found to have major influence on the mechanism of the absorption process.
T2  - Journal of Alloys and Compounds
T1  - Kinetics of hydrogen absorption in Zr-based alloys
VL  - 559
SP  - 162
EP  - 166
DO  - 10.1016/j.jallcom.2013.01.104
ER  - 
@article{
author = "Cekić, Božidar Đ. and Ćirić, Katarina D. and Iordoc, Mihail and Marković, Smilja and Mitrić, Miodrag and Stojić, Dragica Lj.",
year = "2013",
abstract = "The kinetics of hydrogen absorption in Zr-based alloys Zr-2.5Nb, Zr-10Nb, Zr-2.5Nb-3Ta and Zr-10Nb-12Ta have been investigated in the temperature range 673-973 K at 1 bar hydrogen pressure. The improvement in hydrogen kinetics and a slight decrease of maximal amount of hydrogen absorbed were observed upon cycling. The rate determining steps are as follows: geometrical contraction for all samples except Zr-10Nb-12Ta; diffusion in the beginning for Zr-10Nb at 973 K Zr-2.5Nb-3Ta at 673 K and 973 K; first order reaction Zr-10Nb-12Ta at all temperatures. The amount of additives, Nb and Ta, is found to have major influence on the mechanism of the absorption process.",
journal = "Journal of Alloys and Compounds",
title = "Kinetics of hydrogen absorption in Zr-based alloys",
volume = "559",
pages = "162-166",
doi = "10.1016/j.jallcom.2013.01.104"
}
Cekić, B. Đ., Ćirić, K. D., Iordoc, M., Marković, S., Mitrić, M.,& Stojić, D. Lj.. (2013). Kinetics of hydrogen absorption in Zr-based alloys. in Journal of Alloys and Compounds, 559, 162-166.
https://doi.org/10.1016/j.jallcom.2013.01.104
Cekić BĐ, Ćirić KD, Iordoc M, Marković S, Mitrić M, Stojić DL. Kinetics of hydrogen absorption in Zr-based alloys. in Journal of Alloys and Compounds. 2013;559:162-166.
doi:10.1016/j.jallcom.2013.01.104 .
Cekić, Božidar Đ., Ćirić, Katarina D., Iordoc, Mihail, Marković, Smilja, Mitrić, Miodrag, Stojić, Dragica Lj., "Kinetics of hydrogen absorption in Zr-based alloys" in Journal of Alloys and Compounds, 559 (2013):162-166,
https://doi.org/10.1016/j.jallcom.2013.01.104 . .
16
11
19

A study on crystal structure, bonding and hydriding properties of Ti-Fe-Ni intermetallics - Behind substitution of iron by nickel

Ćirić, Katarina D.; Kocjan, Andraz; Gradisek, Anton; Koteski, Vasil J.; Kalijadis, Ana; Ivanovski, Valentin N.; Laušević, Zoran; Stojić, Dragica Lj.

(2012)

TY  - JOUR
AU  - Ćirić, Katarina D.
AU  - Kocjan, Andraz
AU  - Gradisek, Anton
AU  - Koteski, Vasil J.
AU  - Kalijadis, Ana
AU  - Ivanovski, Valentin N.
AU  - Laušević, Zoran
AU  - Stojić, Dragica Lj.
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4878
AB  - Intermetallic compound TiFe, known for its hydrogen storage applications, is modified by substituting iron by nickel and related changes of properties and applicability of the obtained compounds are studied. Samples TiFe1-xNix (x = 0.2-0.6) are synthesized by melt-spinning and their crystal structure, desorption characteristics and electronic structure are investigated by TPD, H-1 NMR and Mossbauer spectroscopy. State-of-the-art DFT calculations give further insight into the changes in electronic structure and bonding related to the hydrogen absorption and substitution of iron by nickel. The increase of Ni/Fe ratio in the TiFe1-xNix is found to result in the increase of hydride cohesive energies and in the systematic shifting of Fermi energy (E-F) to lower values, in both pure intermetallics and appropriate hydrides. Hydride formation was found to influence the Fermi energy lowering and the increase of number of states at E-F.
T2  - International Journal of Hydrogen Energy
T1  - A study on crystal structure, bonding and hydriding properties of Ti-Fe-Ni intermetallics - Behind substitution of iron by nickel
VL  - 37
IS  - 10
SP  - 8408
EP  - 8417
DO  - 10.1016/j.ijhydene.2012.02.047
ER  - 
@article{
author = "Ćirić, Katarina D. and Kocjan, Andraz and Gradisek, Anton and Koteski, Vasil J. and Kalijadis, Ana and Ivanovski, Valentin N. and Laušević, Zoran and Stojić, Dragica Lj.",
year = "2012",
abstract = "Intermetallic compound TiFe, known for its hydrogen storage applications, is modified by substituting iron by nickel and related changes of properties and applicability of the obtained compounds are studied. Samples TiFe1-xNix (x = 0.2-0.6) are synthesized by melt-spinning and their crystal structure, desorption characteristics and electronic structure are investigated by TPD, H-1 NMR and Mossbauer spectroscopy. State-of-the-art DFT calculations give further insight into the changes in electronic structure and bonding related to the hydrogen absorption and substitution of iron by nickel. The increase of Ni/Fe ratio in the TiFe1-xNix is found to result in the increase of hydride cohesive energies and in the systematic shifting of Fermi energy (E-F) to lower values, in both pure intermetallics and appropriate hydrides. Hydride formation was found to influence the Fermi energy lowering and the increase of number of states at E-F.",
journal = "International Journal of Hydrogen Energy",
title = "A study on crystal structure, bonding and hydriding properties of Ti-Fe-Ni intermetallics - Behind substitution of iron by nickel",
volume = "37",
number = "10",
pages = "8408-8417",
doi = "10.1016/j.ijhydene.2012.02.047"
}
Ćirić, K. D., Kocjan, A., Gradisek, A., Koteski, V. J., Kalijadis, A., Ivanovski, V. N., Laušević, Z.,& Stojić, D. Lj.. (2012). A study on crystal structure, bonding and hydriding properties of Ti-Fe-Ni intermetallics - Behind substitution of iron by nickel. in International Journal of Hydrogen Energy, 37(10), 8408-8417.
https://doi.org/10.1016/j.ijhydene.2012.02.047
Ćirić KD, Kocjan A, Gradisek A, Koteski VJ, Kalijadis A, Ivanovski VN, Laušević Z, Stojić DL. A study on crystal structure, bonding and hydriding properties of Ti-Fe-Ni intermetallics - Behind substitution of iron by nickel. in International Journal of Hydrogen Energy. 2012;37(10):8408-8417.
doi:10.1016/j.ijhydene.2012.02.047 .
Ćirić, Katarina D., Kocjan, Andraz, Gradisek, Anton, Koteski, Vasil J., Kalijadis, Ana, Ivanovski, Valentin N., Laušević, Zoran, Stojić, Dragica Lj., "A study on crystal structure, bonding and hydriding properties of Ti-Fe-Ni intermetallics - Behind substitution of iron by nickel" in International Journal of Hydrogen Energy, 37, no. 10 (2012):8408-8417,
https://doi.org/10.1016/j.ijhydene.2012.02.047 . .
49
23
47

Impairment of acetylcholine-mediated endothelium-dependent relaxation in isolated parotid artery of the alloxan-induced diabetic rabbit

Roganović, Jelena; Radenković, Miroslav; Tanić, Nikola; Tanić, Nasta; Petrović, Nina; Stojić, Dragica Lj.

(2011)

TY  - JOUR
AU  - Roganović, Jelena
AU  - Radenković, Miroslav
AU  - Tanić, Nikola
AU  - Tanić, Nasta
AU  - Petrović, Nina
AU  - Stojić, Dragica Lj.
PY  - 2011
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4480
AB  - The aim of this study was to assess the effect of type 1 diabetes mellitus (induced by a single intravenous injection of 100 mg kg(-1) of alloxan) on acetylcholine (ACh)-induced relaxation in isolated rabbit parotid gland feeding artery. Isometric force measurements and quantification of inducible nitric oxide synthase (iNOS) mRNA by real-time RT-PCR were made in parotid artery rings from diabetic and control rabbits. Acetylcholine induced concentration- and endothelium-dependent vasorelaxation that was significantly decreased in parotid artery rings from diabetic rabbits. Schild analysis of the ACh vasorelaxant effect, in the presence of selective muscarinic receptor antagonists, revealed involvement of the M(3) receptor subtype in parotid artery rings from both control and diabetic rabbits, with no change in antagonist affinity constants. The inhibitory effects of indomethacin, a non-selective inhibitor of cyclooxygenase, and of high potassium, an inhibitor of hyperpolarization, on ACh vasorelaxation were increased. The effect of N(G)-nitro-L-arginine, a non-selective inhibitor of NOS, was decreased in diabetes. S-methylisothiourea, a selective inhibitor of iNOS, significantly reduced ACh vasorelaxation only in parotid artery rings from diabetic rabbits. Also, up-regulation of iNOS mRNA expression was detected in parotid artery rings from diabetic rabbits. These results suggest that in parotid artery rings from diabetic rabbits, impaired endothelium-dependent vasorelaxation to ACh appears to be caused by the loss of a nitric oxide-mediated component and increased iNOS expression, and is unlikely to be caused by a change at the M(3) receptor level.
T2  - European Journal of Oral Sciences
T1  - Impairment of acetylcholine-mediated endothelium-dependent relaxation in isolated parotid artery of the alloxan-induced diabetic rabbit
VL  - 119
IS  - 5
SP  - 352
EP  - 360
DO  - 10.1111/j.1600-0722.2011.00851.x
ER  - 
@article{
author = "Roganović, Jelena and Radenković, Miroslav and Tanić, Nikola and Tanić, Nasta and Petrović, Nina and Stojić, Dragica Lj.",
year = "2011",
abstract = "The aim of this study was to assess the effect of type 1 diabetes mellitus (induced by a single intravenous injection of 100 mg kg(-1) of alloxan) on acetylcholine (ACh)-induced relaxation in isolated rabbit parotid gland feeding artery. Isometric force measurements and quantification of inducible nitric oxide synthase (iNOS) mRNA by real-time RT-PCR were made in parotid artery rings from diabetic and control rabbits. Acetylcholine induced concentration- and endothelium-dependent vasorelaxation that was significantly decreased in parotid artery rings from diabetic rabbits. Schild analysis of the ACh vasorelaxant effect, in the presence of selective muscarinic receptor antagonists, revealed involvement of the M(3) receptor subtype in parotid artery rings from both control and diabetic rabbits, with no change in antagonist affinity constants. The inhibitory effects of indomethacin, a non-selective inhibitor of cyclooxygenase, and of high potassium, an inhibitor of hyperpolarization, on ACh vasorelaxation were increased. The effect of N(G)-nitro-L-arginine, a non-selective inhibitor of NOS, was decreased in diabetes. S-methylisothiourea, a selective inhibitor of iNOS, significantly reduced ACh vasorelaxation only in parotid artery rings from diabetic rabbits. Also, up-regulation of iNOS mRNA expression was detected in parotid artery rings from diabetic rabbits. These results suggest that in parotid artery rings from diabetic rabbits, impaired endothelium-dependent vasorelaxation to ACh appears to be caused by the loss of a nitric oxide-mediated component and increased iNOS expression, and is unlikely to be caused by a change at the M(3) receptor level.",
journal = "European Journal of Oral Sciences",
title = "Impairment of acetylcholine-mediated endothelium-dependent relaxation in isolated parotid artery of the alloxan-induced diabetic rabbit",
volume = "119",
number = "5",
pages = "352-360",
doi = "10.1111/j.1600-0722.2011.00851.x"
}
Roganović, J., Radenković, M., Tanić, N., Tanić, N., Petrović, N.,& Stojić, D. Lj.. (2011). Impairment of acetylcholine-mediated endothelium-dependent relaxation in isolated parotid artery of the alloxan-induced diabetic rabbit. in European Journal of Oral Sciences, 119(5), 352-360.
https://doi.org/10.1111/j.1600-0722.2011.00851.x
Roganović J, Radenković M, Tanić N, Tanić N, Petrović N, Stojić DL. Impairment of acetylcholine-mediated endothelium-dependent relaxation in isolated parotid artery of the alloxan-induced diabetic rabbit. in European Journal of Oral Sciences. 2011;119(5):352-360.
doi:10.1111/j.1600-0722.2011.00851.x .
Roganović, Jelena, Radenković, Miroslav, Tanić, Nikola, Tanić, Nasta, Petrović, Nina, Stojić, Dragica Lj., "Impairment of acetylcholine-mediated endothelium-dependent relaxation in isolated parotid artery of the alloxan-induced diabetic rabbit" in European Journal of Oral Sciences, 119, no. 5 (2011):352-360,
https://doi.org/10.1111/j.1600-0722.2011.00851.x . .
8
8
8

Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2

Cekić, Božidar Đ.; Ivanovski, Valentin N.; Zak, T.; Stojić, Dragica Lj.; Belošević-Čavor, Jelena; Koteski, Vasil J.; Umićević, Ana

(2011)

TY  - JOUR
AU  - Cekić, Božidar Đ.
AU  - Ivanovski, Valentin N.
AU  - Zak, T.
AU  - Stojić, Dragica Lj.
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil J.
AU  - Umićević, Ana
PY  - 2011
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4410
AB  - Mossbauer spectrum measured on ferromagnetic HfFe2 at 296 K, consists of four six-line components and one doublet. The Laves phase HfFe2 has three kinds of crystal structures: cubic MgCu2(C15), hexagonal MgZn2(C14) and MgNi2(C36). We assigned two sextets to the 2a and 6h sites of C14, one to the C15 and the fourth sextet to the minor presence of alpha-Fe. The doublet originates from small amount of FeO, apparently a corrosion product. The pseudobinary compound of Hf0.75Ta0.25Fe2 (C14) undergoes the first - order transition to antiferromagnetic (AFM) state at about 180 K due to the strong spin fluctuation. Therefore, a magnetic sextet and a doublet were observed for the spectra assigned to the 6h and 2a site. The second sextet is attached to the minor presence of Fe3O4.
T2  - Romanian Journal of Physics
T1  - Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2
VL  - 56
IS  - 5-6
SP  - 719
EP  - 723
UR  - https://hdl.handle.net/21.15107/rcub_vinar_4410
ER  - 
@article{
author = "Cekić, Božidar Đ. and Ivanovski, Valentin N. and Zak, T. and Stojić, Dragica Lj. and Belošević-Čavor, Jelena and Koteski, Vasil J. and Umićević, Ana",
year = "2011",
abstract = "Mossbauer spectrum measured on ferromagnetic HfFe2 at 296 K, consists of four six-line components and one doublet. The Laves phase HfFe2 has three kinds of crystal structures: cubic MgCu2(C15), hexagonal MgZn2(C14) and MgNi2(C36). We assigned two sextets to the 2a and 6h sites of C14, one to the C15 and the fourth sextet to the minor presence of alpha-Fe. The doublet originates from small amount of FeO, apparently a corrosion product. The pseudobinary compound of Hf0.75Ta0.25Fe2 (C14) undergoes the first - order transition to antiferromagnetic (AFM) state at about 180 K due to the strong spin fluctuation. Therefore, a magnetic sextet and a doublet were observed for the spectra assigned to the 6h and 2a site. The second sextet is attached to the minor presence of Fe3O4.",
journal = "Romanian Journal of Physics",
title = "Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2",
volume = "56",
number = "5-6",
pages = "719-723",
url = "https://hdl.handle.net/21.15107/rcub_vinar_4410"
}
Cekić, B. Đ., Ivanovski, V. N., Zak, T., Stojić, D. Lj., Belošević-Čavor, J., Koteski, V. J.,& Umićević, A.. (2011). Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2. in Romanian Journal of Physics, 56(5-6), 719-723.
https://hdl.handle.net/21.15107/rcub_vinar_4410
Cekić BĐ, Ivanovski VN, Zak T, Stojić DL, Belošević-Čavor J, Koteski VJ, Umićević A. Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2. in Romanian Journal of Physics. 2011;56(5-6):719-723.
https://hdl.handle.net/21.15107/rcub_vinar_4410 .
Cekić, Božidar Đ., Ivanovski, Valentin N., Zak, T., Stojić, Dragica Lj., Belošević-Čavor, Jelena, Koteski, Vasil J., Umićević, Ana, "Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2" in Romanian Journal of Physics, 56, no. 5-6 (2011):719-723,
https://hdl.handle.net/21.15107/rcub_vinar_4410 .
4
4

Hydrogenation properties of Hf-Ni intermetallics - Experimental and theoretical investigation

Stojić, Dragica Lj.; Ćirić, Katarina D.; Cekić, Božidar Đ.; Koteski, Vasil J.; Zec, Slavica; Bogdanov, Žarko

(2011)

TY  - JOUR
AU  - Stojić, Dragica Lj.
AU  - Ćirić, Katarina D.
AU  - Cekić, Božidar Đ.
AU  - Koteski, Vasil J.
AU  - Zec, Slavica
AU  - Bogdanov, Žarko
PY  - 2011
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4497
AB  - The hydrogenation properties of HfNi and Hf(2)Ni(7) intermetallics were investigated at the constant pressure of 1 bar and in the temperature ranges 373-573 K for HfNi and 323-473 K for Hf(2)Ni(7). The kinetic parameters, rate constants and activation energies of the absorption processes were determined. Maximal hydrogen absorption, i.e., number of hydrogen atoms absorbed per metal atom, HIM, are 1.05 and 0.04 achieved at 373 K for HfNi and Hf(2)Ni(7), respectively. Multiple hydriding/dehydriding was found to influence the improvement of the kinetic parameters. XRD and SEM methods were used to investigate the structural and morphological changes of the samples due to hydrogen absorption. The thermodynamic parameters of hydriding together with the structural properties of the intermetallics and their hydrides, calculated using the full-potential linearized augmented plane waves (FP-LAPW) code based on the density functional theory (DFT), were utilized for the sake of explaining the experimental investigations. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Hydrogenation properties of Hf-Ni intermetallics - Experimental and theoretical investigation
VL  - 36
IS  - 17
SP  - 10771
EP  - 10778
DO  - 10.1016/j.ijhydene.2011.05.131
ER  - 
@article{
author = "Stojić, Dragica Lj. and Ćirić, Katarina D. and Cekić, Božidar Đ. and Koteski, Vasil J. and Zec, Slavica and Bogdanov, Žarko",
year = "2011",
abstract = "The hydrogenation properties of HfNi and Hf(2)Ni(7) intermetallics were investigated at the constant pressure of 1 bar and in the temperature ranges 373-573 K for HfNi and 323-473 K for Hf(2)Ni(7). The kinetic parameters, rate constants and activation energies of the absorption processes were determined. Maximal hydrogen absorption, i.e., number of hydrogen atoms absorbed per metal atom, HIM, are 1.05 and 0.04 achieved at 373 K for HfNi and Hf(2)Ni(7), respectively. Multiple hydriding/dehydriding was found to influence the improvement of the kinetic parameters. XRD and SEM methods were used to investigate the structural and morphological changes of the samples due to hydrogen absorption. The thermodynamic parameters of hydriding together with the structural properties of the intermetallics and their hydrides, calculated using the full-potential linearized augmented plane waves (FP-LAPW) code based on the density functional theory (DFT), were utilized for the sake of explaining the experimental investigations. Copyright (C) 2011, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Hydrogenation properties of Hf-Ni intermetallics - Experimental and theoretical investigation",
volume = "36",
number = "17",
pages = "10771-10778",
doi = "10.1016/j.ijhydene.2011.05.131"
}
Stojić, D. Lj., Ćirić, K. D., Cekić, B. Đ., Koteski, V. J., Zec, S.,& Bogdanov, Ž.. (2011). Hydrogenation properties of Hf-Ni intermetallics - Experimental and theoretical investigation. in International Journal of Hydrogen Energy, 36(17), 10771-10778.
https://doi.org/10.1016/j.ijhydene.2011.05.131
Stojić DL, Ćirić KD, Cekić BĐ, Koteski VJ, Zec S, Bogdanov Ž. Hydrogenation properties of Hf-Ni intermetallics - Experimental and theoretical investigation. in International Journal of Hydrogen Energy. 2011;36(17):10771-10778.
doi:10.1016/j.ijhydene.2011.05.131 .
Stojić, Dragica Lj., Ćirić, Katarina D., Cekić, Božidar Đ., Koteski, Vasil J., Zec, Slavica, Bogdanov, Žarko, "Hydrogenation properties of Hf-Ni intermetallics - Experimental and theoretical investigation" in International Journal of Hydrogen Energy, 36, no. 17 (2011):10771-10778,
https://doi.org/10.1016/j.ijhydene.2011.05.131 . .
6
4
6

HfNi and its hydrides - First principles calculations

Ćirić, Katarina D.; Koteski, Vasil J.; Stojić, Dragica Lj.; Radaković, Jana; Ivanovski, Valentin N.

(2010)

TY  - JOUR
AU  - Ćirić, Katarina D.
AU  - Koteski, Vasil J.
AU  - Stojić, Dragica Lj.
AU  - Radaković, Jana
AU  - Ivanovski, Valentin N.
PY  - 2010
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3997
AB  - Hydrogen induced modifications to the structural, electronic and bonding properties of HfNi are investigated by performing first principles calculations. The full-potential linearized augmented plane waves (FP-LAPW) code based on the density functional theory (DFT) was used. The charge transfer and bonding between the constituent atoms is examined by means of the Baders atoms in molecule (AIM) theory. The calculated enthalpies of formation of HfNi, HfNiH and HfNiH(3) are -53.5 kJ/mol atom, -17.3 kJ/molH and -34.6 kJ/molH. They are found to be in a good agreement with the experimental and semi-empirical values. The calculated stability of the hydrides is in agreement with their hydrogen absorption ability. (C) 2010 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - HfNi and its hydrides - First principles calculations
VL  - 35
IS  - 8
SP  - 3572
EP  - 3577
DO  - 10.1016/j.ijhydene.2010.01.127
ER  - 
@article{
author = "Ćirić, Katarina D. and Koteski, Vasil J. and Stojić, Dragica Lj. and Radaković, Jana and Ivanovski, Valentin N.",
year = "2010",
abstract = "Hydrogen induced modifications to the structural, electronic and bonding properties of HfNi are investigated by performing first principles calculations. The full-potential linearized augmented plane waves (FP-LAPW) code based on the density functional theory (DFT) was used. The charge transfer and bonding between the constituent atoms is examined by means of the Baders atoms in molecule (AIM) theory. The calculated enthalpies of formation of HfNi, HfNiH and HfNiH(3) are -53.5 kJ/mol atom, -17.3 kJ/molH and -34.6 kJ/molH. They are found to be in a good agreement with the experimental and semi-empirical values. The calculated stability of the hydrides is in agreement with their hydrogen absorption ability. (C) 2010 Professor T. Nejat Veziroglu. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "HfNi and its hydrides - First principles calculations",
volume = "35",
number = "8",
pages = "3572-3577",
doi = "10.1016/j.ijhydene.2010.01.127"
}
Ćirić, K. D., Koteski, V. J., Stojić, D. Lj., Radaković, J.,& Ivanovski, V. N.. (2010). HfNi and its hydrides - First principles calculations. in International Journal of Hydrogen Energy, 35(8), 3572-3577.
https://doi.org/10.1016/j.ijhydene.2010.01.127
Ćirić KD, Koteski VJ, Stojić DL, Radaković J, Ivanovski VN. HfNi and its hydrides - First principles calculations. in International Journal of Hydrogen Energy. 2010;35(8):3572-3577.
doi:10.1016/j.ijhydene.2010.01.127 .
Ćirić, Katarina D., Koteski, Vasil J., Stojić, Dragica Lj., Radaković, Jana, Ivanovski, Valentin N., "HfNi and its hydrides - First principles calculations" in International Journal of Hydrogen Energy, 35, no. 8 (2010):3572-3577,
https://doi.org/10.1016/j.ijhydene.2010.01.127 . .
17
16
16

Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2

Cekić, Božidar Đ.; Ivanovski, Valentin N.; Žak, T.; Stojić, Dragica Lj.; Belošević-Čavor, Jelena; Koteski, Vasil J.; Umićević, Ana

(2009)

TY  - CONF
AU  - Cekić, Božidar Đ.
AU  - Ivanovski, Valentin N.
AU  - Žak, T.
AU  - Stojić, Dragica Lj.
AU  - Belošević-Čavor, Jelena
AU  - Koteski, Vasil J.
AU  - Umićević, Ana
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12519
C3  - 1st International Workshop "Innovation and Evolution by R&D-SMEs Strategic Partnership" : Book of abstracts
T1  - Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2
SP  - 16
EP  - 16
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12519
ER  - 
@conference{
author = "Cekić, Božidar Đ. and Ivanovski, Valentin N. and Žak, T. and Stojić, Dragica Lj. and Belošević-Čavor, Jelena and Koteski, Vasil J. and Umićević, Ana",
year = "2009",
journal = "1st International Workshop "Innovation and Evolution by R&D-SMEs Strategic Partnership" : Book of abstracts",
title = "Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2",
pages = "16-16",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12519"
}
Cekić, B. Đ., Ivanovski, V. N., Žak, T., Stojić, D. Lj., Belošević-Čavor, J., Koteski, V. J.,& Umićević, A.. (2009). Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2. in 1st International Workshop "Innovation and Evolution by R&D-SMEs Strategic Partnership" : Book of abstracts, 16-16.
https://hdl.handle.net/21.15107/rcub_vinar_12519
Cekić BĐ, Ivanovski VN, Žak T, Stojić DL, Belošević-Čavor J, Koteski VJ, Umićević A. Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2. in 1st International Workshop "Innovation and Evolution by R&D-SMEs Strategic Partnership" : Book of abstracts. 2009;:16-16.
https://hdl.handle.net/21.15107/rcub_vinar_12519 .
Cekić, Božidar Đ., Ivanovski, Valentin N., Žak, T., Stojić, Dragica Lj., Belošević-Čavor, Jelena, Koteski, Vasil J., Umićević, Ana, "Mössbauer Study of HfFe2 and Hf0.75Ta0.25Fe2" in 1st International Workshop "Innovation and Evolution by R&D-SMEs Strategic Partnership" : Book of abstracts (2009):16-16,
https://hdl.handle.net/21.15107/rcub_vinar_12519 .

Hydridic, thermodynamic and kinetic properties of Hf2Ni intermetallic phase

Stojić, Dragica Lj.; Kumrić, Sandra V.; Belošević-Čavor, Jelena; Radaković, Jana; Cekić, Božidar Đ.; Mentus, Slavko V.

(2009)

TY  - JOUR
AU  - Stojić, Dragica Lj.
AU  - Kumrić, Sandra V.
AU  - Belošević-Čavor, Jelena
AU  - Radaković, Jana
AU  - Cekić, Božidar Đ.
AU  - Mentus, Slavko V.
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3719
AB  - The intermetallic compound (HfNi)-Ni-2 was the subject of investigations by several methods. The relative stability was checked by calculating its enthalpy and cohesive properties, using the augmented plane wave plus local orbitals (APW + lo) method of ab initio calculations. The kinetics of hydrogen absorption in this compound was investigated in the temperature range from 573 to 823 K, under the constant hydrogen pressure of 1 bar. The obtained rate constants, k (s(-1)), and hydriding capacities (H/M) are as follows: 0.00038 (0.69), 0.00131 (0.95), 0.00246 (1.13) and 0.0042 (0.92) for temperatures 573, 673, 723 and 823 K, respectively. The changes in crystal structure and morphology caused by multiple hydriding/dehydriding cycles were followed by XRD and SEM. (C) 2009 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Hydridic, thermodynamic and kinetic properties of Hf2Ni intermetallic phase
VL  - 34
IS  - 9
SP  - 3764
EP  - 3770
DO  - 10.1016/j.ijhydene.2009.02.055
ER  - 
@article{
author = "Stojić, Dragica Lj. and Kumrić, Sandra V. and Belošević-Čavor, Jelena and Radaković, Jana and Cekić, Božidar Đ. and Mentus, Slavko V.",
year = "2009",
abstract = "The intermetallic compound (HfNi)-Ni-2 was the subject of investigations by several methods. The relative stability was checked by calculating its enthalpy and cohesive properties, using the augmented plane wave plus local orbitals (APW + lo) method of ab initio calculations. The kinetics of hydrogen absorption in this compound was investigated in the temperature range from 573 to 823 K, under the constant hydrogen pressure of 1 bar. The obtained rate constants, k (s(-1)), and hydriding capacities (H/M) are as follows: 0.00038 (0.69), 0.00131 (0.95), 0.00246 (1.13) and 0.0042 (0.92) for temperatures 573, 673, 723 and 823 K, respectively. The changes in crystal structure and morphology caused by multiple hydriding/dehydriding cycles were followed by XRD and SEM. (C) 2009 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Hydridic, thermodynamic and kinetic properties of Hf2Ni intermetallic phase",
volume = "34",
number = "9",
pages = "3764-3770",
doi = "10.1016/j.ijhydene.2009.02.055"
}
Stojić, D. Lj., Kumrić, S. V., Belošević-Čavor, J., Radaković, J., Cekić, B. Đ.,& Mentus, S. V.. (2009). Hydridic, thermodynamic and kinetic properties of Hf2Ni intermetallic phase. in International Journal of Hydrogen Energy, 34(9), 3764-3770.
https://doi.org/10.1016/j.ijhydene.2009.02.055
Stojić DL, Kumrić SV, Belošević-Čavor J, Radaković J, Cekić BĐ, Mentus SV. Hydridic, thermodynamic and kinetic properties of Hf2Ni intermetallic phase. in International Journal of Hydrogen Energy. 2009;34(9):3764-3770.
doi:10.1016/j.ijhydene.2009.02.055 .
Stojić, Dragica Lj., Kumrić, Sandra V., Belošević-Čavor, Jelena, Radaković, Jana, Cekić, Božidar Đ., Mentus, Slavko V., "Hydridic, thermodynamic and kinetic properties of Hf2Ni intermetallic phase" in International Journal of Hydrogen Energy, 34, no. 9 (2009):3764-3770,
https://doi.org/10.1016/j.ijhydene.2009.02.055 . .
6
6
7

Hydrogen production and storage-Investigation of Hf-based intermetallics

Stojić, Dragica Lj.; Kumrić, Sandra V.; Grozdić, Tomislav D.; Koteski, Vasil J.; Cekić, Božidar Đ.

(2009)

TY  - JOUR
AU  - Stojić, Dragica Lj.
AU  - Kumrić, Sandra V.
AU  - Grozdić, Tomislav D.
AU  - Koteski, Vasil J.
AU  - Cekić, Božidar Đ.
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3733
AB  - Hafnium-based interriletallics Hf(2)Fe, Hf(2)Co and Hf(2)Ni are investigated as hydrogen absorbers at atmospheric pressure and their electrocatalytic activities are compared. The absorption process is carried out in typical volumetric apparatus. Their crystal structures and morphological characteristics are investigated by X-ray difractometry (XRD) and scanning electron microscopy (SEM). According to the absorption abilities, the investigated intermetallics can be ordered as follows: Hf(2)Fe GT Hf(2)Co GT Hf(2)Ni. Ab initio calculations, within the framework of the density functional theory (DIFT), as implemented in the full-potential (linearized) augmented plane-wave (FP/LAPW) method, confirms the experimental investigations. The calculations are important as a way of predicting the best cathode and storage materials. (C) 2009 Elsevier B.V. All rights reserved.
T2  - Journal of Power Sources
T1  - Hydrogen production and storage-Investigation of Hf-based intermetallics
VL  - 193
IS  - 1
SP  - 165
EP  - 169
DO  - 10.1016/j.jpowsour.2009.01.064
ER  - 
@article{
author = "Stojić, Dragica Lj. and Kumrić, Sandra V. and Grozdić, Tomislav D. and Koteski, Vasil J. and Cekić, Božidar Đ.",
year = "2009",
abstract = "Hafnium-based interriletallics Hf(2)Fe, Hf(2)Co and Hf(2)Ni are investigated as hydrogen absorbers at atmospheric pressure and their electrocatalytic activities are compared. The absorption process is carried out in typical volumetric apparatus. Their crystal structures and morphological characteristics are investigated by X-ray difractometry (XRD) and scanning electron microscopy (SEM). According to the absorption abilities, the investigated intermetallics can be ordered as follows: Hf(2)Fe GT Hf(2)Co GT Hf(2)Ni. Ab initio calculations, within the framework of the density functional theory (DIFT), as implemented in the full-potential (linearized) augmented plane-wave (FP/LAPW) method, confirms the experimental investigations. The calculations are important as a way of predicting the best cathode and storage materials. (C) 2009 Elsevier B.V. All rights reserved.",
journal = "Journal of Power Sources",
title = "Hydrogen production and storage-Investigation of Hf-based intermetallics",
volume = "193",
number = "1",
pages = "165-169",
doi = "10.1016/j.jpowsour.2009.01.064"
}
Stojić, D. Lj., Kumrić, S. V., Grozdić, T. D., Koteski, V. J.,& Cekić, B. Đ.. (2009). Hydrogen production and storage-Investigation of Hf-based intermetallics. in Journal of Power Sources, 193(1), 165-169.
https://doi.org/10.1016/j.jpowsour.2009.01.064
Stojić DL, Kumrić SV, Grozdić TD, Koteski VJ, Cekić BĐ. Hydrogen production and storage-Investigation of Hf-based intermetallics. in Journal of Power Sources. 2009;193(1):165-169.
doi:10.1016/j.jpowsour.2009.01.064 .
Stojić, Dragica Lj., Kumrić, Sandra V., Grozdić, Tomislav D., Koteski, Vasil J., Cekić, Božidar Đ., "Hydrogen production and storage-Investigation of Hf-based intermetallics" in Journal of Power Sources, 193, no. 1 (2009):165-169,
https://doi.org/10.1016/j.jpowsour.2009.01.064 . .
6
4
6

Investigation of Hydrogen Absorption Kinetics on Intermetallic Compounds Hf2ni, Hf2co and Hf2fe

Kumrić, Sandra V.; Stojić, Dragica Lj.; Cekić, Božidar Đ.

(2009)

TY  - JOUR
AU  - Kumrić, Sandra V.
AU  - Stojić, Dragica Lj.
AU  - Cekić, Božidar Đ.
PY  - 2009
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6853
AB  - Polycrystalline intermetallics Hf2Ni, Hf2Co and Hf2Fe are investigated as the hydrogen absorbers in the temperature range 348 to 823 K, under the constant hydrogen pressure of 1 bar. The absorption process was carried out in typical volumetric apparatus and H/M mole ratios together with rate constants and activation energies for hydrogen absorption reaction were determined. Achieved hydrogen absorption capacities at 573 K are: 0.60, 0.90 and 1.48 and rate constants at 573 K are: 0.38 x 10(-3), 0.55 x 10(-3) and 4.72 x 10(-3) s(-1) for Hf2Ni, Hf2Co and Hf2Fe respectively. Determined activation energies are: for Hf2Ni, 38.44 kJ/mol, for Hf2Co, 19.62 kJ/mol and 2.74 kJ/mol for Hf2Fe. From the obtained experimental results, it was concluded that Hf2Fe has the best hydrogen absorption ability among the examined intermetallics.
T2  - Hemijska industrija
T1  - Investigation of Hydrogen Absorption Kinetics on Intermetallic Compounds Hf2ni, Hf2co and Hf2fe
VL  - 63
IS  - 3
SP  - 159
EP  - 162
DO  - 10.2298/HEMIND0903159K
ER  - 
@article{
author = "Kumrić, Sandra V. and Stojić, Dragica Lj. and Cekić, Božidar Đ.",
year = "2009",
abstract = "Polycrystalline intermetallics Hf2Ni, Hf2Co and Hf2Fe are investigated as the hydrogen absorbers in the temperature range 348 to 823 K, under the constant hydrogen pressure of 1 bar. The absorption process was carried out in typical volumetric apparatus and H/M mole ratios together with rate constants and activation energies for hydrogen absorption reaction were determined. Achieved hydrogen absorption capacities at 573 K are: 0.60, 0.90 and 1.48 and rate constants at 573 K are: 0.38 x 10(-3), 0.55 x 10(-3) and 4.72 x 10(-3) s(-1) for Hf2Ni, Hf2Co and Hf2Fe respectively. Determined activation energies are: for Hf2Ni, 38.44 kJ/mol, for Hf2Co, 19.62 kJ/mol and 2.74 kJ/mol for Hf2Fe. From the obtained experimental results, it was concluded that Hf2Fe has the best hydrogen absorption ability among the examined intermetallics.",
journal = "Hemijska industrija",
title = "Investigation of Hydrogen Absorption Kinetics on Intermetallic Compounds Hf2ni, Hf2co and Hf2fe",
volume = "63",
number = "3",
pages = "159-162",
doi = "10.2298/HEMIND0903159K"
}
Kumrić, S. V., Stojić, D. Lj.,& Cekić, B. Đ.. (2009). Investigation of Hydrogen Absorption Kinetics on Intermetallic Compounds Hf2ni, Hf2co and Hf2fe. in Hemijska industrija, 63(3), 159-162.
https://doi.org/10.2298/HEMIND0903159K
Kumrić SV, Stojić DL, Cekić BĐ. Investigation of Hydrogen Absorption Kinetics on Intermetallic Compounds Hf2ni, Hf2co and Hf2fe. in Hemijska industrija. 2009;63(3):159-162.
doi:10.2298/HEMIND0903159K .
Kumrić, Sandra V., Stojić, Dragica Lj., Cekić, Božidar Đ., "Investigation of Hydrogen Absorption Kinetics on Intermetallic Compounds Hf2ni, Hf2co and Hf2fe" in Hemijska industrija, 63, no. 3 (2009):159-162,
https://doi.org/10.2298/HEMIND0903159K . .

A Comparison of Alkaline and Proton Exchange Membrane Electrolyzers

Stojić, Dragica Lj.; Grozdić, Tomislav D.; Umićević, Ana; Maksić, Aleksandar

(2008)

TY  - JOUR
AU  - Stojić, Dragica Lj.
AU  - Grozdić, Tomislav D.
AU  - Umićević, Ana
AU  - Maksić, Aleksandar
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3553
AB  - Faraday efficiencies and energy consumptions of a small commercial proton exchange membrane (PEM) and an alkaline electrolyzer designed at our laboratory and equipped with different cathode materials were determined. Our experimental data indicate that the alkaline electrolyzer has a higher Faraday efficiency than the PEM electrolyzer, but, on the other hand, less energy is required for the PEM electrolyzer compared with the alkaline one. The results are discussed with regard to the special advantages of electrolyzers of both types.
T2  - Russian Journal of Physical Chemistry A
T1  - A Comparison of Alkaline and Proton Exchange Membrane Electrolyzers
VL  - 82
IS  - 11
SP  - 1958
EP  - 1960
DO  - 10.1134/S0036024408110289
ER  - 
@article{
author = "Stojić, Dragica Lj. and Grozdić, Tomislav D. and Umićević, Ana and Maksić, Aleksandar",
year = "2008",
abstract = "Faraday efficiencies and energy consumptions of a small commercial proton exchange membrane (PEM) and an alkaline electrolyzer designed at our laboratory and equipped with different cathode materials were determined. Our experimental data indicate that the alkaline electrolyzer has a higher Faraday efficiency than the PEM electrolyzer, but, on the other hand, less energy is required for the PEM electrolyzer compared with the alkaline one. The results are discussed with regard to the special advantages of electrolyzers of both types.",
journal = "Russian Journal of Physical Chemistry A",
title = "A Comparison of Alkaline and Proton Exchange Membrane Electrolyzers",
volume = "82",
number = "11",
pages = "1958-1960",
doi = "10.1134/S0036024408110289"
}
Stojić, D. Lj., Grozdić, T. D., Umićević, A.,& Maksić, A.. (2008). A Comparison of Alkaline and Proton Exchange Membrane Electrolyzers. in Russian Journal of Physical Chemistry A, 82(11), 1958-1960.
https://doi.org/10.1134/S0036024408110289
Stojić DL, Grozdić TD, Umićević A, Maksić A. A Comparison of Alkaline and Proton Exchange Membrane Electrolyzers. in Russian Journal of Physical Chemistry A. 2008;82(11):1958-1960.
doi:10.1134/S0036024408110289 .
Stojić, Dragica Lj., Grozdić, Tomislav D., Umićević, Ana, Maksić, Aleksandar, "A Comparison of Alkaline and Proton Exchange Membrane Electrolyzers" in Russian Journal of Physical Chemistry A, 82, no. 11 (2008):1958-1960,
https://doi.org/10.1134/S0036024408110289 . .
18
13
21

Structure and electronic properties of Mo(3)Pt, MoPt(2), and MoPt(3): First-principles calculations

Stojković, M.; Koteski, Vasil J.; Belošević-Čavor, Jelena; Cekić, Božidar Đ.; Stojić, Dragica Lj.; Ivanovski, Valentin N.

(2008)

TY  - JOUR
AU  - Stojković, M.
AU  - Koteski, Vasil J.
AU  - Belošević-Čavor, Jelena
AU  - Cekić, Božidar Đ.
AU  - Stojić, Dragica Lj.
AU  - Ivanovski, Valentin N.
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3469
AB  - In particular, the enthalpy of formation of the investigated intermetallics is considered and their bonding properties, as obtained from the atoms in molecules theory, are analyzed. The results are discussed in view of the potential application of these systems as cathode materials in the process of electrocatalytic production of hydrogen. Our calculations predict MoPt(3) to be the best catalyst, which is in agreement with experimental trends.
T2  - Physical Review B: Condensed Matter and Materials Physics
T1  - Structure and electronic properties of Mo(3)Pt, MoPt(2), and MoPt(3): First-principles calculations
VL  - 77
IS  - 19
DO  - 10.1103/PhysRevB.77.193111
ER  - 
@article{
author = "Stojković, M. and Koteski, Vasil J. and Belošević-Čavor, Jelena and Cekić, Božidar Đ. and Stojić, Dragica Lj. and Ivanovski, Valentin N.",
year = "2008",
abstract = "In particular, the enthalpy of formation of the investigated intermetallics is considered and their bonding properties, as obtained from the atoms in molecules theory, are analyzed. The results are discussed in view of the potential application of these systems as cathode materials in the process of electrocatalytic production of hydrogen. Our calculations predict MoPt(3) to be the best catalyst, which is in agreement with experimental trends.",
journal = "Physical Review B: Condensed Matter and Materials Physics",
title = "Structure and electronic properties of Mo(3)Pt, MoPt(2), and MoPt(3): First-principles calculations",
volume = "77",
number = "19",
doi = "10.1103/PhysRevB.77.193111"
}
Stojković, M., Koteski, V. J., Belošević-Čavor, J., Cekić, B. Đ., Stojić, D. Lj.,& Ivanovski, V. N.. (2008). Structure and electronic properties of Mo(3)Pt, MoPt(2), and MoPt(3): First-principles calculations. in Physical Review B: Condensed Matter and Materials Physics, 77(19).
https://doi.org/10.1103/PhysRevB.77.193111
Stojković M, Koteski VJ, Belošević-Čavor J, Cekić BĐ, Stojić DL, Ivanovski VN. Structure and electronic properties of Mo(3)Pt, MoPt(2), and MoPt(3): First-principles calculations. in Physical Review B: Condensed Matter and Materials Physics. 2008;77(19).
doi:10.1103/PhysRevB.77.193111 .
Stojković, M., Koteski, Vasil J., Belošević-Čavor, Jelena, Cekić, Božidar Đ., Stojić, Dragica Lj., Ivanovski, Valentin N., "Structure and electronic properties of Mo(3)Pt, MoPt(2), and MoPt(3): First-principles calculations" in Physical Review B: Condensed Matter and Materials Physics, 77, no. 19 (2008),
https://doi.org/10.1103/PhysRevB.77.193111 . .
13
10
13

The reduction of hexanitrocobaltate(III) ion in the presence of hexadecyltrimethylammonium bromide

Sovilj, Sofija P.; Vasić, Vesna M.; Stojić, Dragica Lj.

(2008)

TY  - JOUR
AU  - Sovilj, Sofija P.
AU  - Vasić, Vesna M.
AU  - Stojić, Dragica Lj.
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3443
AB  - The influence of cationic surfactant hexadecyltrimethylammonium bromide (CTAB) on the kinetics of the spontaneous reduction of the analytically important compound, sodium hexanitrocobaltate(III), was studied. The spontaneous reduction was monitored spectrophotometrically at pH 2 and 5 and at concentrations of CTAB from 1 x 10(-5) to 5 x 10(-4) M. The mechanism of this process was described using two consecutive first-order reactions. A decrease in the rate constant for reduction at pH 5 in solutions containing CTAB in concentrations of 5.6 x 10(-5) M (critical micelle concentration) compared with its rate in an aqueous solution was observed. These effects could be explained by electrostatic and hydrophobic/hydrophilic interactions between the micellar pseudophase and the hexanitrocobaltate(III) ion.
T2  - Russian Journal of Physical Chemistry A
T1  - The reduction of hexanitrocobaltate(III) ion in the presence of hexadecyltrimethylammonium bromide
VL  - 82
IS  - 5
SP  - 709
EP  - 712
DO  - 10.1134/S0036024408050038
ER  - 
@article{
author = "Sovilj, Sofija P. and Vasić, Vesna M. and Stojić, Dragica Lj.",
year = "2008",
abstract = "The influence of cationic surfactant hexadecyltrimethylammonium bromide (CTAB) on the kinetics of the spontaneous reduction of the analytically important compound, sodium hexanitrocobaltate(III), was studied. The spontaneous reduction was monitored spectrophotometrically at pH 2 and 5 and at concentrations of CTAB from 1 x 10(-5) to 5 x 10(-4) M. The mechanism of this process was described using two consecutive first-order reactions. A decrease in the rate constant for reduction at pH 5 in solutions containing CTAB in concentrations of 5.6 x 10(-5) M (critical micelle concentration) compared with its rate in an aqueous solution was observed. These effects could be explained by electrostatic and hydrophobic/hydrophilic interactions between the micellar pseudophase and the hexanitrocobaltate(III) ion.",
journal = "Russian Journal of Physical Chemistry A",
title = "The reduction of hexanitrocobaltate(III) ion in the presence of hexadecyltrimethylammonium bromide",
volume = "82",
number = "5",
pages = "709-712",
doi = "10.1134/S0036024408050038"
}
Sovilj, S. P., Vasić, V. M.,& Stojić, D. Lj.. (2008). The reduction of hexanitrocobaltate(III) ion in the presence of hexadecyltrimethylammonium bromide. in Russian Journal of Physical Chemistry A, 82(5), 709-712.
https://doi.org/10.1134/S0036024408050038
Sovilj SP, Vasić VM, Stojić DL. The reduction of hexanitrocobaltate(III) ion in the presence of hexadecyltrimethylammonium bromide. in Russian Journal of Physical Chemistry A. 2008;82(5):709-712.
doi:10.1134/S0036024408050038 .
Sovilj, Sofija P., Vasić, Vesna M., Stojić, Dragica Lj., "The reduction of hexanitrocobaltate(III) ion in the presence of hexadecyltrimethylammonium bromide" in Russian Journal of Physical Chemistry A, 82, no. 5 (2008):709-712,
https://doi.org/10.1134/S0036024408050038 . .

Influence of external magnetic field on the electrolytic hydrogen evolution on different cathode materials

Grozdić, Tomislav D.; Stojić, Dragica Lj.; Kumrić, Sandra V.

(Society of Physical Chemists of Serbia, 2008)

TY  - CONF
AU  - Grozdić, Tomislav D.
AU  - Stojić, Dragica Lj.
AU  - Kumrić, Sandra V.
PY  - 2008
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9362
AB  - The correlation between magnetic properties of cathodic materials on the evolution of hydrogen and the separation factor was found. The cathodes were pure Ni and cathodes with the electrocatalytic coatings of following compositions: Ni-Mo (70- 30%), Ni-V (70-30%), Co-Mo (70-30%) and Fe-Mo (60-40%), on Ni substrate. The electrolyte is standard electrolyte (30% KOH) and electrolyte activated with Co-complex [1].
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry
T1  - Influence of external magnetic field on the electrolytic hydrogen evolution on different cathode materials
VL  - 1
SP  - 276
EP  - 278
UR  - https://hdl.handle.net/21.15107/rcub_vinar_9362
ER  - 
@conference{
author = "Grozdić, Tomislav D. and Stojić, Dragica Lj. and Kumrić, Sandra V.",
year = "2008",
abstract = "The correlation between magnetic properties of cathodic materials on the evolution of hydrogen and the separation factor was found. The cathodes were pure Ni and cathodes with the electrocatalytic coatings of following compositions: Ni-Mo (70- 30%), Ni-V (70-30%), Co-Mo (70-30%) and Fe-Mo (60-40%), on Ni substrate. The electrolyte is standard electrolyte (30% KOH) and electrolyte activated with Co-complex [1].",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry",
title = "Influence of external magnetic field on the electrolytic hydrogen evolution on different cathode materials",
volume = "1",
pages = "276-278",
url = "https://hdl.handle.net/21.15107/rcub_vinar_9362"
}
Grozdić, T. D., Stojić, D. Lj.,& Kumrić, S. V.. (2008). Influence of external magnetic field on the electrolytic hydrogen evolution on different cathode materials. in Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry
Society of Physical Chemists of Serbia., 1, 276-278.
https://hdl.handle.net/21.15107/rcub_vinar_9362
Grozdić TD, Stojić DL, Kumrić SV. Influence of external magnetic field on the electrolytic hydrogen evolution on different cathode materials. in Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry. 2008;1:276-278.
https://hdl.handle.net/21.15107/rcub_vinar_9362 .
Grozdić, Tomislav D., Stojić, Dragica Lj., Kumrić, Sandra V., "Influence of external magnetic field on the electrolytic hydrogen evolution on different cathode materials" in Physical chemistry 2008 : 9th international conference on fundamental and applied aspects of physical chemistry, 1 (2008):276-278,
https://hdl.handle.net/21.15107/rcub_vinar_9362 .

Time-dependent inhibition of Na+/K+-ATPase induced by single and simultaneous exposure to lead and cadmium

Vasić, Vesna M.; Kojić, Dušan; Krinulović, Katarina; Čolović, Mirjana B.; Vujačić, Ana V.; Stojić, Dragica Lj.

(2007)

TY  - JOUR
AU  - Vasić, Vesna M.
AU  - Kojić, Dušan
AU  - Krinulović, Katarina
AU  - Čolović, Mirjana B.
AU  - Vujačić, Ana V.
AU  - Stojić, Dragica Lj.
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6719
AB  - Time-dependent interactions of Na+/K+-ATPase, isolated from rat brain synaptic plasma membranes (SPMs), with Cd2+ and Pb2+ ions in a single exposure and in a mixture were investigated in vitro. The interference of the enzyme with these metal ions was studied as a function of different protein concentrations and exposure time. The aim of the work was to investigate the possibility of selective recognition of Cd2+ and Pb2+ ions in a mixture, on the basis of the different rates of their protein-ligand interactions. Decreasing protein concentration increased the sensitivity of Na+/K+-ATPase toward both metals. The selectivity in protein-ligand interactions was obtained by variation of preincubation time (incubation before starting the enzymatic reaction).
T2  - Russian Journal of Physical Chemistry A
T1  - Time-dependent inhibition of Na+/K+-ATPase induced by single and simultaneous exposure to lead and cadmium
VL  - 81
IS  - 9
SP  - 1402
EP  - 1406
DO  - 10.1134/S0036024407090105
ER  - 
@article{
author = "Vasić, Vesna M. and Kojić, Dušan and Krinulović, Katarina and Čolović, Mirjana B. and Vujačić, Ana V. and Stojić, Dragica Lj.",
year = "2007",
abstract = "Time-dependent interactions of Na+/K+-ATPase, isolated from rat brain synaptic plasma membranes (SPMs), with Cd2+ and Pb2+ ions in a single exposure and in a mixture were investigated in vitro. The interference of the enzyme with these metal ions was studied as a function of different protein concentrations and exposure time. The aim of the work was to investigate the possibility of selective recognition of Cd2+ and Pb2+ ions in a mixture, on the basis of the different rates of their protein-ligand interactions. Decreasing protein concentration increased the sensitivity of Na+/K+-ATPase toward both metals. The selectivity in protein-ligand interactions was obtained by variation of preincubation time (incubation before starting the enzymatic reaction).",
journal = "Russian Journal of Physical Chemistry A",
title = "Time-dependent inhibition of Na+/K+-ATPase induced by single and simultaneous exposure to lead and cadmium",
volume = "81",
number = "9",
pages = "1402-1406",
doi = "10.1134/S0036024407090105"
}
Vasić, V. M., Kojić, D., Krinulović, K., Čolović, M. B., Vujačić, A. V.,& Stojić, D. Lj.. (2007). Time-dependent inhibition of Na+/K+-ATPase induced by single and simultaneous exposure to lead and cadmium. in Russian Journal of Physical Chemistry A, 81(9), 1402-1406.
https://doi.org/10.1134/S0036024407090105
Vasić VM, Kojić D, Krinulović K, Čolović MB, Vujačić AV, Stojić DL. Time-dependent inhibition of Na+/K+-ATPase induced by single and simultaneous exposure to lead and cadmium. in Russian Journal of Physical Chemistry A. 2007;81(9):1402-1406.
doi:10.1134/S0036024407090105 .
Vasić, Vesna M., Kojić, Dušan, Krinulović, Katarina, Čolović, Mirjana B., Vujačić, Ana V., Stojić, Dragica Lj., "Time-dependent inhibition of Na+/K+-ATPase induced by single and simultaneous exposure to lead and cadmium" in Russian Journal of Physical Chemistry A, 81, no. 9 (2007):1402-1406,
https://doi.org/10.1134/S0036024407090105 . .
6
6
7

Comparison between alkaline and PEM electrolysers

Stojić, Dragica; Grozdić, Tomislav; Umićević, Ana; Maksić, Aleksandar

(2007)

TY  - JOUR
AU  - Stojić, Dragica
AU  - Grozdić, Tomislav
AU  - Umićević, Ana
AU  - Maksić, Aleksandar
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12797
AB  - Faraday efficiencies and energy consumptions of a small commercial PEM (Proton Exchange Membrane) and alkaline electrolyser, made in our laboratory with different cathode materials, were determinated. The development of high-efficiency alkaline electrolysers, using different cathode materials (intermetallics alloys of transition metals) and ionic activators, represents the additional step towards the improvement of the electrolytic hydrogen production process in our experiments. On the other hand, PEM electrolysers occupy today important sites in the advanced electrolyses for hydrogen production. Experimental results in this paper indicate that alkaline electrolyser has a higher Faraday efficiency than PEM electrolyser but on the other hand less energy requirement is needed for the PEM electrolyser compared to alkaline one. The results were discussed regarding specific advantages of both types of electrolysers.
T2  - Tehnika - Novi materijali
T1  - Comparison between alkaline and PEM electrolysers
VL  - 16
IS  - 4
SP  - 9
EP  - 12
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12797
ER  - 
@article{
author = "Stojić, Dragica and Grozdić, Tomislav and Umićević, Ana and Maksić, Aleksandar",
year = "2007",
abstract = "Faraday efficiencies and energy consumptions of a small commercial PEM (Proton Exchange Membrane) and alkaline electrolyser, made in our laboratory with different cathode materials, were determinated. The development of high-efficiency alkaline electrolysers, using different cathode materials (intermetallics alloys of transition metals) and ionic activators, represents the additional step towards the improvement of the electrolytic hydrogen production process in our experiments. On the other hand, PEM electrolysers occupy today important sites in the advanced electrolyses for hydrogen production. Experimental results in this paper indicate that alkaline electrolyser has a higher Faraday efficiency than PEM electrolyser but on the other hand less energy requirement is needed for the PEM electrolyser compared to alkaline one. The results were discussed regarding specific advantages of both types of electrolysers.",
journal = "Tehnika - Novi materijali",
title = "Comparison between alkaline and PEM electrolysers",
volume = "16",
number = "4",
pages = "9-12",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12797"
}
Stojić, D., Grozdić, T., Umićević, A.,& Maksić, A.. (2007). Comparison between alkaline and PEM electrolysers. in Tehnika - Novi materijali, 16(4), 9-12.
https://hdl.handle.net/21.15107/rcub_vinar_12797
Stojić D, Grozdić T, Umićević A, Maksić A. Comparison between alkaline and PEM electrolysers. in Tehnika - Novi materijali. 2007;16(4):9-12.
https://hdl.handle.net/21.15107/rcub_vinar_12797 .
Stojić, Dragica, Grozdić, Tomislav, Umićević, Ana, Maksić, Aleksandar, "Comparison between alkaline and PEM electrolysers" in Tehnika - Novi materijali, 16, no. 4 (2007):9-12,
https://hdl.handle.net/21.15107/rcub_vinar_12797 .

Electrocatalytic effects of Mo-Pt intermetallics singly and with ionic activators. Hydrogen production via electrolysis

Stojić, Dragica Lj.; Grozdić, Tomislav D.; Marčeta Kaninski, Milica; Stanić, Vojislav

(2007)

TY  - JOUR
AU  - Stojić, Dragica Lj.
AU  - Grozdić, Tomislav D.
AU  - Marčeta Kaninski, Milica
AU  - Stanić, Vojislav
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3298
AB  - The intermetallic phases along the Pt-Mo phase diagram, singly or in combination with specific ionic activators, have been investigated as cathode materials for the production of hydrogen by electrolysis from water KOH solutions in an attempt to decrease energy consumption. The influence of ionic activators (activating compounds) on energy consumption was significant. The intermetallic phases, as cathode materials, were activated by the surface deposition of activating compounds from electrolyte. The influence of these cathode materials on the electrolytic evolution of hydrogen was discussed in the context of transition metals features and their electronic configuration. (C) 2007 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Electrocatalytic effects of Mo-Pt intermetallics singly and with ionic activators. Hydrogen production via electrolysis
VL  - 32
IS  - 13
SP  - 2314
EP  - 2319
DO  - 10.1016/j.ijhydene.2007.03.016
ER  - 
@article{
author = "Stojić, Dragica Lj. and Grozdić, Tomislav D. and Marčeta Kaninski, Milica and Stanić, Vojislav",
year = "2007",
abstract = "The intermetallic phases along the Pt-Mo phase diagram, singly or in combination with specific ionic activators, have been investigated as cathode materials for the production of hydrogen by electrolysis from water KOH solutions in an attempt to decrease energy consumption. The influence of ionic activators (activating compounds) on energy consumption was significant. The intermetallic phases, as cathode materials, were activated by the surface deposition of activating compounds from electrolyte. The influence of these cathode materials on the electrolytic evolution of hydrogen was discussed in the context of transition metals features and their electronic configuration. (C) 2007 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Electrocatalytic effects of Mo-Pt intermetallics singly and with ionic activators. Hydrogen production via electrolysis",
volume = "32",
number = "13",
pages = "2314-2319",
doi = "10.1016/j.ijhydene.2007.03.016"
}
Stojić, D. Lj., Grozdić, T. D., Marčeta Kaninski, M.,& Stanić, V.. (2007). Electrocatalytic effects of Mo-Pt intermetallics singly and with ionic activators. Hydrogen production via electrolysis. in International Journal of Hydrogen Energy, 32(13), 2314-2319.
https://doi.org/10.1016/j.ijhydene.2007.03.016
Stojić DL, Grozdić TD, Marčeta Kaninski M, Stanić V. Electrocatalytic effects of Mo-Pt intermetallics singly and with ionic activators. Hydrogen production via electrolysis. in International Journal of Hydrogen Energy. 2007;32(13):2314-2319.
doi:10.1016/j.ijhydene.2007.03.016 .
Stojić, Dragica Lj., Grozdić, Tomislav D., Marčeta Kaninski, Milica, Stanić, Vojislav, "Electrocatalytic effects of Mo-Pt intermetallics singly and with ionic activators. Hydrogen production via electrolysis" in International Journal of Hydrogen Energy, 32, no. 13 (2007):2314-2319,
https://doi.org/10.1016/j.ijhydene.2007.03.016 . .
19
17
21

Bonding and stability of the intermetallic compounds of hafnium with Ti2Ni structure

Koteski, Vasil J.; Belošević-Čavor, Jelena; Cekić, Božidar Đ.; Stojić, Dragica Lj.; Simić, N. D.; Umićević, Ana; Milošević, Zoran

(2007)

TY  - JOUR
AU  - Koteski, Vasil J.
AU  - Belošević-Čavor, Jelena
AU  - Cekić, Božidar Đ.
AU  - Stojić, Dragica Lj.
AU  - Simić, N. D.
AU  - Umićević, Ana
AU  - Milošević, Zoran
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6673
AB  - The stability and bonding properties of Hf2Fe, Hf2Co and Hf2Rh are investigated by means of ab initio quantum mechanical simulations. All three compounds belong to the family of complex intermetallic compounds of hafnium with Ti Ni structure. The relative stability of these intermetallics is investigated by calculating their enthalpies of formation and cohesive properties. In addition, the charge transfer between the constituent atoms is examined by means of the atoms in molecule (AIM) theory. The computed structural and electronic properties are discussed in view of the possible application of these compounds as cathode materials in the process of electrocatalytic hydrogen production. (C) 2007 Elsevier B.V. All rights reserved.
T2  - Journal of Alloys and Compounds
T1  - Bonding and stability of the intermetallic compounds of hafnium with Ti2Ni structure
VL  - 442
IS  - 1-2
SP  - 252
EP  - 254
DO  - 10.1016/j.jallcom.2006.10.173
ER  - 
@article{
author = "Koteski, Vasil J. and Belošević-Čavor, Jelena and Cekić, Božidar Đ. and Stojić, Dragica Lj. and Simić, N. D. and Umićević, Ana and Milošević, Zoran",
year = "2007",
abstract = "The stability and bonding properties of Hf2Fe, Hf2Co and Hf2Rh are investigated by means of ab initio quantum mechanical simulations. All three compounds belong to the family of complex intermetallic compounds of hafnium with Ti Ni structure. The relative stability of these intermetallics is investigated by calculating their enthalpies of formation and cohesive properties. In addition, the charge transfer between the constituent atoms is examined by means of the atoms in molecule (AIM) theory. The computed structural and electronic properties are discussed in view of the possible application of these compounds as cathode materials in the process of electrocatalytic hydrogen production. (C) 2007 Elsevier B.V. All rights reserved.",
journal = "Journal of Alloys and Compounds",
title = "Bonding and stability of the intermetallic compounds of hafnium with Ti2Ni structure",
volume = "442",
number = "1-2",
pages = "252-254",
doi = "10.1016/j.jallcom.2006.10.173"
}
Koteski, V. J., Belošević-Čavor, J., Cekić, B. Đ., Stojić, D. Lj., Simić, N. D., Umićević, A.,& Milošević, Z.. (2007). Bonding and stability of the intermetallic compounds of hafnium with Ti2Ni structure. in Journal of Alloys and Compounds, 442(1-2), 252-254.
https://doi.org/10.1016/j.jallcom.2006.10.173
Koteski VJ, Belošević-Čavor J, Cekić BĐ, Stojić DL, Simić ND, Umićević A, Milošević Z. Bonding and stability of the intermetallic compounds of hafnium with Ti2Ni structure. in Journal of Alloys and Compounds. 2007;442(1-2):252-254.
doi:10.1016/j.jallcom.2006.10.173 .
Koteski, Vasil J., Belošević-Čavor, Jelena, Cekić, Božidar Đ., Stojić, Dragica Lj., Simić, N. D., Umićević, Ana, Milošević, Zoran, "Bonding and stability of the intermetallic compounds of hafnium with Ti2Ni structure" in Journal of Alloys and Compounds, 442, no. 1-2 (2007):252-254,
https://doi.org/10.1016/j.jallcom.2006.10.173 . .
11
8
10

Influence of magnetic behavior of cathodic surface on deuterium separation factor

Stojić, Dragica Lj.; Grozdić, Tomislav D.; Spasojević, Vojislav; Umićević, Ana; Sovllj, Sofija P.

(2007)

TY  - JOUR
AU  - Stojić, Dragica Lj.
AU  - Grozdić, Tomislav D.
AU  - Spasojević, Vojislav
AU  - Umićević, Ana
AU  - Sovllj, Sofija P.
PY  - 2007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3291
AB  - The influence of magnetic properties of cathodes on the separation factor and hydrogen evolution process was investigated. The cathodes used in standard electrolyte and in activated one were pure Ni and the electrocatalytic coatings with definite compositions of transition metals on Ni substrate. The obtained correlations between electrocatalytic activity and magnetic properties of the investigated cathode materials issue from their d-electronic configuration. (c) 2007 Elsevier B.V. All rights reserved.
T2  - Electrochemistry Communications
T1  - Influence of magnetic behavior of cathodic surface on deuterium separation factor
VL  - 9
IS  - 9
SP  - 2408
EP  - 2411
DO  - 10.1016/j.elecom.2007.07.014
ER  - 
@article{
author = "Stojić, Dragica Lj. and Grozdić, Tomislav D. and Spasojević, Vojislav and Umićević, Ana and Sovllj, Sofija P.",
year = "2007",
abstract = "The influence of magnetic properties of cathodes on the separation factor and hydrogen evolution process was investigated. The cathodes used in standard electrolyte and in activated one were pure Ni and the electrocatalytic coatings with definite compositions of transition metals on Ni substrate. The obtained correlations between electrocatalytic activity and magnetic properties of the investigated cathode materials issue from their d-electronic configuration. (c) 2007 Elsevier B.V. All rights reserved.",
journal = "Electrochemistry Communications",
title = "Influence of magnetic behavior of cathodic surface on deuterium separation factor",
volume = "9",
number = "9",
pages = "2408-2411",
doi = "10.1016/j.elecom.2007.07.014"
}
Stojić, D. Lj., Grozdić, T. D., Spasojević, V., Umićević, A.,& Sovllj, S. P.. (2007). Influence of magnetic behavior of cathodic surface on deuterium separation factor. in Electrochemistry Communications, 9(9), 2408-2411.
https://doi.org/10.1016/j.elecom.2007.07.014
Stojić DL, Grozdić TD, Spasojević V, Umićević A, Sovllj SP. Influence of magnetic behavior of cathodic surface on deuterium separation factor. in Electrochemistry Communications. 2007;9(9):2408-2411.
doi:10.1016/j.elecom.2007.07.014 .
Stojić, Dragica Lj., Grozdić, Tomislav D., Spasojević, Vojislav, Umićević, Ana, Sovllj, Sofija P., "Influence of magnetic behavior of cathodic surface on deuterium separation factor" in Electrochemistry Communications, 9, no. 9 (2007):2408-2411,
https://doi.org/10.1016/j.elecom.2007.07.014 . .

Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems

Sovilj, Sofija P.; Drakulić, Branko J.; Stojić, Dragica Lj.; Katsaros, N.

(2006)

TY  - JOUR
AU  - Sovilj, Sofija P.
AU  - Drakulić, Branko J.
AU  - Stojić, Dragica Lj.
AU  - Katsaros, N.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6614
AB  - A huge variety of nano-objects, allowing specific reactions at well-defined positions can be generated using oxo-molybdenurn compounds based building blocks and fragments. On the other side, the use of suphur-based interfaces as metal-based organic materials is a new area with many potential applications in medicine, particularly as implants. In that respect, as precursors for building new materials with pronounced characteristics five new dioxomolybdenum(VI) complexes of the general formula [MoO2(RdtC)(2)] have been used in the present work. Their predicted geometries optimized by the MO calculations are in excellent agreement with the reported crystal structure data, and therefore can be used as models for docking study between complexes and biomolecules. In silico screening for complex-protein interaction will be able to predict behavior of such materials implanted in living systems.
T2  - Materials Science Forum
T1  - Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems
VL  - 518
SP  - 411
EP  - 416
DO  - 10.4028/www.scientific.net/MSF.518.411
ER  - 
@article{
author = "Sovilj, Sofija P. and Drakulić, Branko J. and Stojić, Dragica Lj. and Katsaros, N.",
year = "2006",
abstract = "A huge variety of nano-objects, allowing specific reactions at well-defined positions can be generated using oxo-molybdenurn compounds based building blocks and fragments. On the other side, the use of suphur-based interfaces as metal-based organic materials is a new area with many potential applications in medicine, particularly as implants. In that respect, as precursors for building new materials with pronounced characteristics five new dioxomolybdenum(VI) complexes of the general formula [MoO2(RdtC)(2)] have been used in the present work. Their predicted geometries optimized by the MO calculations are in excellent agreement with the reported crystal structure data, and therefore can be used as models for docking study between complexes and biomolecules. In silico screening for complex-protein interaction will be able to predict behavior of such materials implanted in living systems.",
journal = "Materials Science Forum",
title = "Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems",
volume = "518",
pages = "411-416",
doi = "10.4028/www.scientific.net/MSF.518.411"
}
Sovilj, S. P., Drakulić, B. J., Stojić, D. Lj.,& Katsaros, N.. (2006). Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems. in Materials Science Forum, 518, 411-416.
https://doi.org/10.4028/www.scientific.net/MSF.518.411
Sovilj SP, Drakulić BJ, Stojić DL, Katsaros N. Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems. in Materials Science Forum. 2006;518:411-416.
doi:10.4028/www.scientific.net/MSF.518.411 .
Sovilj, Sofija P., Drakulić, Branko J., Stojić, Dragica Lj., Katsaros, N., "Molecular modeling of new dioxomolybdenum(VI) complexes with heteroalicyclic dithiocarbamates. In silico models for metal-implant coating within living systems" in Materials Science Forum, 518 (2006):411-416,
https://doi.org/10.4028/www.scientific.net/MSF.518.411 . .
1
1

Microwave assisted electrolysis of alkaline water solution

Stanisavljev, Dragomir R.; Grozdić, Tomislav D.; Marčeta Kaninski, Milica; Đorđević, A.; Stojić, Dragica Lj.

(Society of Physical Chemists of Serbia, 2006)

TY  - CONF
AU  - Stanisavljev, Dragomir R.
AU  - Grozdić, Tomislav D.
AU  - Marčeta Kaninski, Milica
AU  - Đorđević, A.
AU  - Stojić, Dragica Lj.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9474
AB  - The effect of microwaves (MW) on the electrolytic process of 6M KOH water solution is investigated in the temperature range from 291 K to 337 K. At lower temperatures, microwaves facilitate electrolytic process, whereas the effect is reversed at higher temperatures.
PB  - Society of Physical Chemists of Serbia
C3  - Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry
T1  - Microwave assisted electrolysis of alkaline water solution
SP  - 733
EP  - 735
UR  - https://hdl.handle.net/21.15107/rcub_vinar_9474
ER  - 
@conference{
author = "Stanisavljev, Dragomir R. and Grozdić, Tomislav D. and Marčeta Kaninski, Milica and Đorđević, A. and Stojić, Dragica Lj.",
year = "2006",
abstract = "The effect of microwaves (MW) on the electrolytic process of 6M KOH water solution is investigated in the temperature range from 291 K to 337 K. At lower temperatures, microwaves facilitate electrolytic process, whereas the effect is reversed at higher temperatures.",
publisher = "Society of Physical Chemists of Serbia",
journal = "Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry",
title = "Microwave assisted electrolysis of alkaline water solution",
pages = "733-735",
url = "https://hdl.handle.net/21.15107/rcub_vinar_9474"
}
Stanisavljev, D. R., Grozdić, T. D., Marčeta Kaninski, M., Đorđević, A.,& Stojić, D. Lj.. (2006). Microwave assisted electrolysis of alkaline water solution. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry
Society of Physical Chemists of Serbia., 733-735.
https://hdl.handle.net/21.15107/rcub_vinar_9474
Stanisavljev DR, Grozdić TD, Marčeta Kaninski M, Đorđević A, Stojić DL. Microwave assisted electrolysis of alkaline water solution. in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry. 2006;:733-735.
https://hdl.handle.net/21.15107/rcub_vinar_9474 .
Stanisavljev, Dragomir R., Grozdić, Tomislav D., Marčeta Kaninski, Milica, Đorđević, A., Stojić, Dragica Lj., "Microwave assisted electrolysis of alkaline water solution" in Physical chemistry 2006: 8th international conference on fundemental and applied aspract of physical chemistry (2006):733-735,
https://hdl.handle.net/21.15107/rcub_vinar_9474 .

Comparison of different electrode materials - Energy requirements in the electrolytic hydrogen evolution process

Marčeta Kaninski, Milica; Stojić, Dragica Lj.; Šaponjić, Đorđe; Potkonjak, Nebojša I.; Miljanić, Šćepan S.

(2006)

TY  - JOUR
AU  - Marčeta Kaninski, Milica
AU  - Stojić, Dragica Lj.
AU  - Šaponjić, Đorđe
AU  - Potkonjak, Nebojša I.
AU  - Miljanić, Šćepan S.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6588
AB  - Hydrogen is one of the most widely produced commodities in the world economy. The basic technologies for producing hydrogen via the electrolysis of water have long been known. However, there are disadvantages when using this process. Two-thirds of the operation costs of the electrolyzers are electricity costs. The challenge, addressed.by numerous companies and researchers in the last few years, is the cost cutting by increasing efficiency of the process. The aim of this work was the attempt to optimize the electrolytic hydrogen production from alkaline solution, through the variation of cathode materials and use of ionic activators. The part of our results shows the better electrocatalytic activity of intermetallic phases and the energy consumption is decreased when compared with the industrial data (4.5-5 kWh m(-3) H-2). The role of ionic activator used is also very significant. These results give the opportunity for further research of cumulative effect of the intermetallic electrodes and ionic activators on industrial level. (c) 2005 Elsevier B.V. All rights reserved.
T2  - Journal of Power Sources
T1  - Comparison of different electrode materials - Energy requirements in the electrolytic hydrogen evolution process
VL  - 157
IS  - 2
SP  - 758
EP  - 764
DO  - 10.1016/j.jpowsour.2005.10.105
ER  - 
@article{
author = "Marčeta Kaninski, Milica and Stojić, Dragica Lj. and Šaponjić, Đorđe and Potkonjak, Nebojša I. and Miljanić, Šćepan S.",
year = "2006",
abstract = "Hydrogen is one of the most widely produced commodities in the world economy. The basic technologies for producing hydrogen via the electrolysis of water have long been known. However, there are disadvantages when using this process. Two-thirds of the operation costs of the electrolyzers are electricity costs. The challenge, addressed.by numerous companies and researchers in the last few years, is the cost cutting by increasing efficiency of the process. The aim of this work was the attempt to optimize the electrolytic hydrogen production from alkaline solution, through the variation of cathode materials and use of ionic activators. The part of our results shows the better electrocatalytic activity of intermetallic phases and the energy consumption is decreased when compared with the industrial data (4.5-5 kWh m(-3) H-2). The role of ionic activator used is also very significant. These results give the opportunity for further research of cumulative effect of the intermetallic electrodes and ionic activators on industrial level. (c) 2005 Elsevier B.V. All rights reserved.",
journal = "Journal of Power Sources",
title = "Comparison of different electrode materials - Energy requirements in the electrolytic hydrogen evolution process",
volume = "157",
number = "2",
pages = "758-764",
doi = "10.1016/j.jpowsour.2005.10.105"
}
Marčeta Kaninski, M., Stojić, D. Lj., Šaponjić, Đ., Potkonjak, N. I.,& Miljanić, Š. S.. (2006). Comparison of different electrode materials - Energy requirements in the electrolytic hydrogen evolution process. in Journal of Power Sources, 157(2), 758-764.
https://doi.org/10.1016/j.jpowsour.2005.10.105
Marčeta Kaninski M, Stojić DL, Šaponjić Đ, Potkonjak NI, Miljanić ŠS. Comparison of different electrode materials - Energy requirements in the electrolytic hydrogen evolution process. in Journal of Power Sources. 2006;157(2):758-764.
doi:10.1016/j.jpowsour.2005.10.105 .
Marčeta Kaninski, Milica, Stojić, Dragica Lj., Šaponjić, Đorđe, Potkonjak, Nebojša I., Miljanić, Šćepan S., "Comparison of different electrode materials - Energy requirements in the electrolytic hydrogen evolution process" in Journal of Power Sources, 157, no. 2 (2006):758-764,
https://doi.org/10.1016/j.jpowsour.2005.10.105 . .
32
26
30

Intermetallics as advanced cathode materials in hydrogen production via electrolysis

Stojić, Dragica Lj.; Grozdić, Tomislav D.; Marčeta Kaninski, Milica; Maksić, Aleksandar; Simić, N. D.

(2006)

TY  - JOUR
AU  - Stojić, Dragica Lj.
AU  - Grozdić, Tomislav D.
AU  - Marčeta Kaninski, Milica
AU  - Maksić, Aleksandar
AU  - Simić, N. D.
PY  - 2006
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/3019
AB  - Intermetallics phases along Mo-Pt phase diagram have been investigated as cathode materials for the production of hydrogen by electrolysis from water KOH solutions, in an attempt to increase the electrolytic process efficiency. These materials were compared with conventional cathodes (Fe and Ni), often used in the alkaline electrolysis, and also with the intermetallic Ti-Pt. An significant upgrade of the electrolytic efficiency using intermetallics in pure KOH electrolyte was achieved in comparison with conventional cathode materials. The effects of those cathode materials on the process efficiency were discussed in the context of transition metal features that issue from their electronic configuration. (c) 2005 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - Intermetallics as advanced cathode materials in hydrogen production via electrolysis
VL  - 31
IS  - 7
SP  - 841
EP  - 846
DO  - 10.1016/j.ijhydene.2005.08.009
ER  - 
@article{
author = "Stojić, Dragica Lj. and Grozdić, Tomislav D. and Marčeta Kaninski, Milica and Maksić, Aleksandar and Simić, N. D.",
year = "2006",
abstract = "Intermetallics phases along Mo-Pt phase diagram have been investigated as cathode materials for the production of hydrogen by electrolysis from water KOH solutions, in an attempt to increase the electrolytic process efficiency. These materials were compared with conventional cathodes (Fe and Ni), often used in the alkaline electrolysis, and also with the intermetallic Ti-Pt. An significant upgrade of the electrolytic efficiency using intermetallics in pure KOH electrolyte was achieved in comparison with conventional cathode materials. The effects of those cathode materials on the process efficiency were discussed in the context of transition metal features that issue from their electronic configuration. (c) 2005 International Association for Hydrogen Energy. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "Intermetallics as advanced cathode materials in hydrogen production via electrolysis",
volume = "31",
number = "7",
pages = "841-846",
doi = "10.1016/j.ijhydene.2005.08.009"
}
Stojić, D. Lj., Grozdić, T. D., Marčeta Kaninski, M., Maksić, A.,& Simić, N. D.. (2006). Intermetallics as advanced cathode materials in hydrogen production via electrolysis. in International Journal of Hydrogen Energy, 31(7), 841-846.
https://doi.org/10.1016/j.ijhydene.2005.08.009
Stojić DL, Grozdić TD, Marčeta Kaninski M, Maksić A, Simić ND. Intermetallics as advanced cathode materials in hydrogen production via electrolysis. in International Journal of Hydrogen Energy. 2006;31(7):841-846.
doi:10.1016/j.ijhydene.2005.08.009 .
Stojić, Dragica Lj., Grozdić, Tomislav D., Marčeta Kaninski, Milica, Maksić, Aleksandar, Simić, N. D., "Intermetallics as advanced cathode materials in hydrogen production via electrolysis" in International Journal of Hydrogen Energy, 31, no. 7 (2006):841-846,
https://doi.org/10.1016/j.ijhydene.2005.08.009 . .
32
22
30

Improved energy efficiency of the electrolytic evolution of hydrogen - Comparison of conventional and advanced electrode materials

Stojić, Dragica Lj.; Maksić, Aleksandar; Marčeta Kaninski, Milica; Cekić, Božidar Đ.; Mijanic, SS

(2005)

TY  - JOUR
AU  - Stojić, Dragica Lj.
AU  - Maksić, Aleksandar
AU  - Marčeta Kaninski, Milica
AU  - Cekić, Božidar Đ.
AU  - Mijanic, SS
PY  - 2005
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/6547
AB  - With the idea to improve the efficiency of the electrolytic production of hydrogen by electrolysis, from water KOH solutions, the intermetallic Hf2Co was investigated as cathode. This cathode was used single or in combination with ionic activators, and compared with several intermetallics previously investigated: Hf2Fe, TiPt, and PtMo3. A comparison with conventional cathode, nickel, was also evaluated. An significant upgrade of the electrolytic efficiency using intermetallics was achieved in comparison with conventional cathode materials. The influence of ionic activators on the process efficiency was significant, too. The effects of those cathode materials on the electrolytic evolution of hydrogen were discussed in the context of transition metals features that issue from their electronic configuration. (c) 2005 Elsevier B.V. All rights reserved.
T2  - Journal of Power Sources
T1  - Improved energy efficiency of the electrolytic evolution of hydrogen - Comparison of conventional and advanced electrode materials
VL  - 145
IS  - 2
SP  - 278
EP  - 281
DO  - 10.1016/j.jpowsour.2004.12.077
ER  - 
@article{
author = "Stojić, Dragica Lj. and Maksić, Aleksandar and Marčeta Kaninski, Milica and Cekić, Božidar Đ. and Mijanic, SS",
year = "2005",
abstract = "With the idea to improve the efficiency of the electrolytic production of hydrogen by electrolysis, from water KOH solutions, the intermetallic Hf2Co was investigated as cathode. This cathode was used single or in combination with ionic activators, and compared with several intermetallics previously investigated: Hf2Fe, TiPt, and PtMo3. A comparison with conventional cathode, nickel, was also evaluated. An significant upgrade of the electrolytic efficiency using intermetallics was achieved in comparison with conventional cathode materials. The influence of ionic activators on the process efficiency was significant, too. The effects of those cathode materials on the electrolytic evolution of hydrogen were discussed in the context of transition metals features that issue from their electronic configuration. (c) 2005 Elsevier B.V. All rights reserved.",
journal = "Journal of Power Sources",
title = "Improved energy efficiency of the electrolytic evolution of hydrogen - Comparison of conventional and advanced electrode materials",
volume = "145",
number = "2",
pages = "278-281",
doi = "10.1016/j.jpowsour.2004.12.077"
}
Stojić, D. Lj., Maksić, A., Marčeta Kaninski, M., Cekić, B. Đ.,& Mijanic, S.. (2005). Improved energy efficiency of the electrolytic evolution of hydrogen - Comparison of conventional and advanced electrode materials. in Journal of Power Sources, 145(2), 278-281.
https://doi.org/10.1016/j.jpowsour.2004.12.077
Stojić DL, Maksić A, Marčeta Kaninski M, Cekić BĐ, Mijanic S. Improved energy efficiency of the electrolytic evolution of hydrogen - Comparison of conventional and advanced electrode materials. in Journal of Power Sources. 2005;145(2):278-281.
doi:10.1016/j.jpowsour.2004.12.077 .
Stojić, Dragica Lj., Maksić, Aleksandar, Marčeta Kaninski, Milica, Cekić, Božidar Đ., Mijanic, SS, "Improved energy efficiency of the electrolytic evolution of hydrogen - Comparison of conventional and advanced electrode materials" in Journal of Power Sources, 145, no. 2 (2005):278-281,
https://doi.org/10.1016/j.jpowsour.2004.12.077 . .
7
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