Serbian Academy of Sciences and Arts

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Serbian Academy of Sciences and Arts

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Publications

Polyaniline as a charge storage material in an aqueous aluminum-based electrolyte: Can aluminum ions play the role of protons?

Vujković, Milica ; Etinski, Mihajlo; Vasić, Borislav; Kuzmanović, Bojana; Bajuk-Bogdanović, Danica V.; Dominko, Robert; Mentus, Slavko V.

(2021)

TY  - JOUR
AU  - Vujković, Milica 
AU  - Etinski, Mihajlo
AU  - Vasić, Borislav
AU  - Kuzmanović, Bojana
AU  - Bajuk-Bogdanović, Danica V.
AU  - Dominko, Robert
AU  - Mentus, Slavko V.
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9645
AB  - The high redox activity of polyaniline emeraldine salt (PANI-ES) was revealed in the aqueous solution of Al-salt, which makes this polymer attractive as an electrode material for aqueous aluminum electrochemical storage devices. Its redox behavior in Al(NO3)3, Al(NO3)3+HCl, AlCl3 and HCl was investigated by Cyclic Voltammetry and Chronopotentiometry. While the proton exchange determines PANI's redox behavior in strong acidic solutions, anion doping/dedoping is a more dominant process in less acidic Al-salt solutions. The formation/dissolution of solid-state nitrate complexes is proposed to happen during PANI's redox switching in Al(NO3)3, which causes disappearance and reappearance of grain boundaries, as revealed by AFM. Combined experimental and DFT approaches identify Al-salt as a secondary dopant of protonated PANI-ES (by Lewis acid-base complexation), which causes polaron→bipolaron conversion. The change in the redox mechanism of PANI-ES, caused by the substitution of HCl with Al(NO3)3, did not attenuate its charge storage ability. Moreover, PANI-ES delivers a higher capacitance in Al(NO3)3, amounting to 269 F g−1 at 10 A g−1. Furthermore, the use of Al(NO3)3 results in attenuated electrochemical PANI overoxidation, when compared to HCl, thus providing better capacitance retention upon potentiodynamic cycling. The results open novel perspective of using PANI-based materials for more suitable energy storage devices.
T2  - Journal of Power Sources
T1  - Polyaniline as a charge storage material in an aqueous aluminum-based electrolyte: Can aluminum ions play the role of protons?
VL  - 482
SP  - 228937
DO  - 10.1016/j.jpowsour.2020.228937
ER  - 
@article{
author = "Vujković, Milica  and Etinski, Mihajlo and Vasić, Borislav and Kuzmanović, Bojana and Bajuk-Bogdanović, Danica V. and Dominko, Robert and Mentus, Slavko V.",
year = "2021",
abstract = "The high redox activity of polyaniline emeraldine salt (PANI-ES) was revealed in the aqueous solution of Al-salt, which makes this polymer attractive as an electrode material for aqueous aluminum electrochemical storage devices. Its redox behavior in Al(NO3)3, Al(NO3)3+HCl, AlCl3 and HCl was investigated by Cyclic Voltammetry and Chronopotentiometry. While the proton exchange determines PANI's redox behavior in strong acidic solutions, anion doping/dedoping is a more dominant process in less acidic Al-salt solutions. The formation/dissolution of solid-state nitrate complexes is proposed to happen during PANI's redox switching in Al(NO3)3, which causes disappearance and reappearance of grain boundaries, as revealed by AFM. Combined experimental and DFT approaches identify Al-salt as a secondary dopant of protonated PANI-ES (by Lewis acid-base complexation), which causes polaron→bipolaron conversion. The change in the redox mechanism of PANI-ES, caused by the substitution of HCl with Al(NO3)3, did not attenuate its charge storage ability. Moreover, PANI-ES delivers a higher capacitance in Al(NO3)3, amounting to 269 F g−1 at 10 A g−1. Furthermore, the use of Al(NO3)3 results in attenuated electrochemical PANI overoxidation, when compared to HCl, thus providing better capacitance retention upon potentiodynamic cycling. The results open novel perspective of using PANI-based materials for more suitable energy storage devices.",
journal = "Journal of Power Sources",
title = "Polyaniline as a charge storage material in an aqueous aluminum-based electrolyte: Can aluminum ions play the role of protons?",
volume = "482",
pages = "228937",
doi = "10.1016/j.jpowsour.2020.228937"
}
Vujković, M., Etinski, M., Vasić, B., Kuzmanović, B., Bajuk-Bogdanović, D. V., Dominko, R.,& Mentus, S. V.. (2021). Polyaniline as a charge storage material in an aqueous aluminum-based electrolyte: Can aluminum ions play the role of protons?. in Journal of Power Sources, 482, 228937.
https://doi.org/10.1016/j.jpowsour.2020.228937
Vujković M, Etinski M, Vasić B, Kuzmanović B, Bajuk-Bogdanović DV, Dominko R, Mentus SV. Polyaniline as a charge storage material in an aqueous aluminum-based electrolyte: Can aluminum ions play the role of protons?. in Journal of Power Sources. 2021;482:228937.
doi:10.1016/j.jpowsour.2020.228937 .
Vujković, Milica , Etinski, Mihajlo, Vasić, Borislav, Kuzmanović, Bojana, Bajuk-Bogdanović, Danica V., Dominko, Robert, Mentus, Slavko V., "Polyaniline as a charge storage material in an aqueous aluminum-based electrolyte: Can aluminum ions play the role of protons?" in Journal of Power Sources, 482 (2021):228937,
https://doi.org/10.1016/j.jpowsour.2020.228937 . .
22
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20

Calcium ions tune the beats of cilia and flagella

Satarić, Miljko V.; Nemeš, Tomas; Satarić, Bogdan; Sekulić, Dalibor; Zdravković, Slobodan

(2020)

TY  - JOUR
AU  - Satarić, Miljko V.
AU  - Nemeš, Tomas
AU  - Satarić, Bogdan
AU  - Sekulić, Dalibor
AU  - Zdravković, Slobodan
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9059
AB  - The cytoskeleton of cilia and flagella is so called axoneme a stable cylindrical architecture of nine microtubule doublets. Axoneme performs periodic bending motion by utilizing specific dynein motor family powered by ATP hydrolysis. It is still unclear how this highly organized “ciliary beat” is being initiated and strongly coordinated by the combined action of hundreds dynein motors. Based on the experimental evidences we here elaborate a plausible scenario in which actually calcium ions play the roles of catalytic activators and coordinators of dynein attachments doing it in superposition with already known mechanical control tools of “ciliary beat”. Polyelectrolyte properties of microtubules incorporated in axoneme doublets enable the formation and propagation of soliton-like “ionic clouds” of Ca2+ ions along these “coaxial nanocables”. The sliding speed of such Ca2+ “clouds” along microtubule doublets is comparable with the speed of propagation of “ciliary beat” itself. We elaborated the interplay between influx of Ca2+ ions in ciliary based body and the sliding of microtubule triplets therein. In second segment we considered how the dynein motors activated by Ca2+ ions contained within solitonic “ionic clouds” in competition with axoneme curvature regulate ciliary and flagellar beating.
T2  - Biosystems
T1  - Calcium ions tune the beats of cilia and flagella
VL  - 196
SP  - 104172
DO  - 10.1016/j.biosystems.2020.104172
ER  - 
@article{
author = "Satarić, Miljko V. and Nemeš, Tomas and Satarić, Bogdan and Sekulić, Dalibor and Zdravković, Slobodan",
year = "2020",
abstract = "The cytoskeleton of cilia and flagella is so called axoneme a stable cylindrical architecture of nine microtubule doublets. Axoneme performs periodic bending motion by utilizing specific dynein motor family powered by ATP hydrolysis. It is still unclear how this highly organized “ciliary beat” is being initiated and strongly coordinated by the combined action of hundreds dynein motors. Based on the experimental evidences we here elaborate a plausible scenario in which actually calcium ions play the roles of catalytic activators and coordinators of dynein attachments doing it in superposition with already known mechanical control tools of “ciliary beat”. Polyelectrolyte properties of microtubules incorporated in axoneme doublets enable the formation and propagation of soliton-like “ionic clouds” of Ca2+ ions along these “coaxial nanocables”. The sliding speed of such Ca2+ “clouds” along microtubule doublets is comparable with the speed of propagation of “ciliary beat” itself. We elaborated the interplay between influx of Ca2+ ions in ciliary based body and the sliding of microtubule triplets therein. In second segment we considered how the dynein motors activated by Ca2+ ions contained within solitonic “ionic clouds” in competition with axoneme curvature regulate ciliary and flagellar beating.",
journal = "Biosystems",
title = "Calcium ions tune the beats of cilia and flagella",
volume = "196",
pages = "104172",
doi = "10.1016/j.biosystems.2020.104172"
}
Satarić, M. V., Nemeš, T., Satarić, B., Sekulić, D.,& Zdravković, S.. (2020). Calcium ions tune the beats of cilia and flagella. in Biosystems, 196, 104172.
https://doi.org/10.1016/j.biosystems.2020.104172
Satarić MV, Nemeš T, Satarić B, Sekulić D, Zdravković S. Calcium ions tune the beats of cilia and flagella. in Biosystems. 2020;196:104172.
doi:10.1016/j.biosystems.2020.104172 .
Satarić, Miljko V., Nemeš, Tomas, Satarić, Bogdan, Sekulić, Dalibor, Zdravković, Slobodan, "Calcium ions tune the beats of cilia and flagella" in Biosystems, 196 (2020):104172,
https://doi.org/10.1016/j.biosystems.2020.104172 . .
5
3
4

General model of microtubules

Zdravković, Slobodan; Satarić, Miljko V.; Sivčević, Vladimir

(2018)

TY  - JOUR
AU  - Zdravković, Slobodan
AU  - Satarić, Miljko V.
AU  - Sivčević, Vladimir
PY  - 2018
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/7652
AB  - In the present work, we deal with nonlinear dynamics of microtubules. A new model, describing nonlinear dynamics of microtubules, is introduced. Its advantages over two existing models are demonstrated. We show that dynamics of microtubules can be explained in terms of kink solitons. Also, circumstances yielding to either subsonic or supersonic solitons are discussed.
T2  - Nonlinear Dynamics
T1  - General model of microtubules
VL  - 92
IS  - 2
SP  - 479
EP  - 486
DO  - 10.1007/s11071-018-4069-5
ER  - 
@article{
author = "Zdravković, Slobodan and Satarić, Miljko V. and Sivčević, Vladimir",
year = "2018",
abstract = "In the present work, we deal with nonlinear dynamics of microtubules. A new model, describing nonlinear dynamics of microtubules, is introduced. Its advantages over two existing models are demonstrated. We show that dynamics of microtubules can be explained in terms of kink solitons. Also, circumstances yielding to either subsonic or supersonic solitons are discussed.",
journal = "Nonlinear Dynamics",
title = "General model of microtubules",
volume = "92",
number = "2",
pages = "479-486",
doi = "10.1007/s11071-018-4069-5"
}
Zdravković, S., Satarić, M. V.,& Sivčević, V.. (2018). General model of microtubules. in Nonlinear Dynamics, 92(2), 479-486.
https://doi.org/10.1007/s11071-018-4069-5
Zdravković S, Satarić MV, Sivčević V. General model of microtubules. in Nonlinear Dynamics. 2018;92(2):479-486.
doi:10.1007/s11071-018-4069-5 .
Zdravković, Slobodan, Satarić, Miljko V., Sivčević, Vladimir, "General model of microtubules" in Nonlinear Dynamics, 92, no. 2 (2018):479-486,
https://doi.org/10.1007/s11071-018-4069-5 . .
1
11
5
10

Nonlinear calcium ion waves along actin filaments control active hair–bundle motility

Tuszynski, Jack A.; Satarić, Miljko V.; Sekulić, Dalibor L.; Satarić, Bogdan M.; Zdravković, Slobodan

(2018)

TY  - JOUR
AU  - Tuszynski, Jack A.
AU  - Satarić, Miljko V.
AU  - Sekulić, Dalibor L.
AU  - Satarić, Bogdan M.
AU  - Zdravković, Slobodan
PY  - 2018
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8397
AB  - Calcium ions (Ca2+) tune and control numerous diverse aspects of cochlear and vestibular physiological processes. This paper is focused on the Ca2+ control of mechanotransduction in sensory hair cells in the context of polyelectrolyte properties of actin filaments within the hair–bundles of inner ear. These actin filaments appear to serve as efficient pathways for the flow of Ca2+ ions inside stereocilia. We showed how this can be utilized for tuning of force–generating myosin motors. In an established model, we unified the Ca2+ nonlinear dynamics involved in the control of myosin adaptation motors with mechanical displacements of hair–bundles. The model shows that the characteristic time scales fit reasonably well with the available experimental data for spontaneous oscillations in the inner ear. This scenario promises to fill a gap in our understanding of the role of Ca2+ ions in the regulation of processes in the auditory cells of the inner ear. © 2018 Elsevier B.V.
T2  - Biosystems
T1  - Nonlinear calcium ion waves along actin filaments control active hair–bundle motility
VL  - 173
SP  - 181
EP  - 190
DO  - 10.1016/j.biosystems.2018.08.006
ER  - 
@article{
author = "Tuszynski, Jack A. and Satarić, Miljko V. and Sekulić, Dalibor L. and Satarić, Bogdan M. and Zdravković, Slobodan",
year = "2018",
abstract = "Calcium ions (Ca2+) tune and control numerous diverse aspects of cochlear and vestibular physiological processes. This paper is focused on the Ca2+ control of mechanotransduction in sensory hair cells in the context of polyelectrolyte properties of actin filaments within the hair–bundles of inner ear. These actin filaments appear to serve as efficient pathways for the flow of Ca2+ ions inside stereocilia. We showed how this can be utilized for tuning of force–generating myosin motors. In an established model, we unified the Ca2+ nonlinear dynamics involved in the control of myosin adaptation motors with mechanical displacements of hair–bundles. The model shows that the characteristic time scales fit reasonably well with the available experimental data for spontaneous oscillations in the inner ear. This scenario promises to fill a gap in our understanding of the role of Ca2+ ions in the regulation of processes in the auditory cells of the inner ear. © 2018 Elsevier B.V.",
journal = "Biosystems",
title = "Nonlinear calcium ion waves along actin filaments control active hair–bundle motility",
volume = "173",
pages = "181-190",
doi = "10.1016/j.biosystems.2018.08.006"
}
Tuszynski, J. A., Satarić, M. V., Sekulić, D. L., Satarić, B. M.,& Zdravković, S.. (2018). Nonlinear calcium ion waves along actin filaments control active hair–bundle motility. in Biosystems, 173, 181-190.
https://doi.org/10.1016/j.biosystems.2018.08.006
Tuszynski JA, Satarić MV, Sekulić DL, Satarić BM, Zdravković S. Nonlinear calcium ion waves along actin filaments control active hair–bundle motility. in Biosystems. 2018;173:181-190.
doi:10.1016/j.biosystems.2018.08.006 .
Tuszynski, Jack A., Satarić, Miljko V., Sekulić, Dalibor L., Satarić, Bogdan M., Zdravković, Slobodan, "Nonlinear calcium ion waves along actin filaments control active hair–bundle motility" in Biosystems, 173 (2018):181-190,
https://doi.org/10.1016/j.biosystems.2018.08.006 . .
11
5
8

Role of nonlinear localized Ca2+ pulses along microtubules in tuning the mechano-sensitivity of hair cells

Satarić, Miljko V.; Sekulić, Dalibor L.; Satarić, Bogdan M.; Zdravković, Slobodan

(2015)

TY  - JOUR
AU  - Satarić, Miljko V.
AU  - Sekulić, Dalibor L.
AU  - Satarić, Bogdan M.
AU  - Zdravković, Slobodan
PY  - 2015
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/782
AB  - This paper aims to provide an overview of the polyelectrolyte model and the current understanding of the creation and propagation of localized pulses of positive ions flowing along cellular microtubules. In that context, Ca2+ ions may move freely on the surface of microtubule along the protofilament axis, thus leading to signal transport. Special emphasis in this paper is placed on the possible role of this mechanism in the function of microtubule based kinocilium, a component of vestibular hair cells of the inner ear. We discuss how localized pulses of Ca2+ ions play a crucial role in tuning the activity of dynein motors, which are involved in mechano sensitivity of the kinocilium. A prevailing notion holds that the concentration of Ca2+ ions around the microtubules within the kinocilium represents the control parameter for Hopf bifurcation. Therefore, a key feature of this mechanism is that the velocities of these Ca2+ pulses be sufficiently high to exert control at acoustic frequencies. (C) 2015 Elsevier Ltd. All rights reserved.
T2  - Progress in Biophysics and Molecular Biology
T1  - Role of nonlinear localized Ca2+ pulses along microtubules in tuning the mechano-sensitivity of hair cells
VL  - 119
IS  - 2
SP  - 162
EP  - 174
DO  - 10.1016/j.pbiomolbio.2015.07.009
ER  - 
@article{
author = "Satarić, Miljko V. and Sekulić, Dalibor L. and Satarić, Bogdan M. and Zdravković, Slobodan",
year = "2015",
abstract = "This paper aims to provide an overview of the polyelectrolyte model and the current understanding of the creation and propagation of localized pulses of positive ions flowing along cellular microtubules. In that context, Ca2+ ions may move freely on the surface of microtubule along the protofilament axis, thus leading to signal transport. Special emphasis in this paper is placed on the possible role of this mechanism in the function of microtubule based kinocilium, a component of vestibular hair cells of the inner ear. We discuss how localized pulses of Ca2+ ions play a crucial role in tuning the activity of dynein motors, which are involved in mechano sensitivity of the kinocilium. A prevailing notion holds that the concentration of Ca2+ ions around the microtubules within the kinocilium represents the control parameter for Hopf bifurcation. Therefore, a key feature of this mechanism is that the velocities of these Ca2+ pulses be sufficiently high to exert control at acoustic frequencies. (C) 2015 Elsevier Ltd. All rights reserved.",
journal = "Progress in Biophysics and Molecular Biology",
title = "Role of nonlinear localized Ca2+ pulses along microtubules in tuning the mechano-sensitivity of hair cells",
volume = "119",
number = "2",
pages = "162-174",
doi = "10.1016/j.pbiomolbio.2015.07.009"
}
Satarić, M. V., Sekulić, D. L., Satarić, B. M.,& Zdravković, S.. (2015). Role of nonlinear localized Ca2+ pulses along microtubules in tuning the mechano-sensitivity of hair cells. in Progress in Biophysics and Molecular Biology, 119(2), 162-174.
https://doi.org/10.1016/j.pbiomolbio.2015.07.009
Satarić MV, Sekulić DL, Satarić BM, Zdravković S. Role of nonlinear localized Ca2+ pulses along microtubules in tuning the mechano-sensitivity of hair cells. in Progress in Biophysics and Molecular Biology. 2015;119(2):162-174.
doi:10.1016/j.pbiomolbio.2015.07.009 .
Satarić, Miljko V., Sekulić, Dalibor L., Satarić, Bogdan M., Zdravković, Slobodan, "Role of nonlinear localized Ca2+ pulses along microtubules in tuning the mechano-sensitivity of hair cells" in Progress in Biophysics and Molecular Biology, 119, no. 2 (2015):162-174,
https://doi.org/10.1016/j.pbiomolbio.2015.07.009 . .
10
5
9

High-rate intercalation capability of NaTi2(PO4)(3)/C composite in aqueous lithium and sodium nitrate solutions

Vujković, Milica; Mitrić, Miodrag; Mentus, Slavko V.

(2015)

TY  - JOUR
AU  - Vujković, Milica
AU  - Mitrić, Miodrag
AU  - Mentus, Slavko V.
PY  - 2015
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/599
AB  - The nanodispersed NaTi2(PO4)(3)/C composite containing 20-25 wt.% of in-situ formed carbon, was synthesized by gel combustion procedure followed by a heat treatment at 650, 700 and 750 degrees C. The samples calcined at 700 and 750 degrees C displayed crystalline nasicon structure. They were subjected to the investigation of intercalation/deintercalation kinetics in aqueous NaNO3 and LiNO3 solutions, using cyclic voltammetry and galvanostatic charging/discharging measurements. As regards to the effect of electrolyte composition, the reactions were evidenced to be roughly twice faster in sodium nitrate than in lithium nitrate solution. Among the samples treated at 700 and 750 degrees C, better performance was evidenced for the sample treated at lower temperature. Coulombic capacity in NaNO3 solution at charging rate 1C amounted to similar to 70 mAh g(-1) and similar to 55 mAh g(-1) for the sample calcined at 700 and 750 degrees C, respectively, and displayed surprisingly slight dependence on charging rate up to even 100C. (c) 2015 Elsevier B.V. All rights reserved.
T2  - Journal of Power Sources
T1  - High-rate intercalation capability of NaTi2(PO4)(3)/C composite in aqueous lithium and sodium nitrate solutions
VL  - 288
SP  - 176
EP  - 186
DO  - 10.1016/j.jpowsour.2015.04.132
ER  - 
@article{
author = "Vujković, Milica and Mitrić, Miodrag and Mentus, Slavko V.",
year = "2015",
abstract = "The nanodispersed NaTi2(PO4)(3)/C composite containing 20-25 wt.% of in-situ formed carbon, was synthesized by gel combustion procedure followed by a heat treatment at 650, 700 and 750 degrees C. The samples calcined at 700 and 750 degrees C displayed crystalline nasicon structure. They were subjected to the investigation of intercalation/deintercalation kinetics in aqueous NaNO3 and LiNO3 solutions, using cyclic voltammetry and galvanostatic charging/discharging measurements. As regards to the effect of electrolyte composition, the reactions were evidenced to be roughly twice faster in sodium nitrate than in lithium nitrate solution. Among the samples treated at 700 and 750 degrees C, better performance was evidenced for the sample treated at lower temperature. Coulombic capacity in NaNO3 solution at charging rate 1C amounted to similar to 70 mAh g(-1) and similar to 55 mAh g(-1) for the sample calcined at 700 and 750 degrees C, respectively, and displayed surprisingly slight dependence on charging rate up to even 100C. (c) 2015 Elsevier B.V. All rights reserved.",
journal = "Journal of Power Sources",
title = "High-rate intercalation capability of NaTi2(PO4)(3)/C composite in aqueous lithium and sodium nitrate solutions",
volume = "288",
pages = "176-186",
doi = "10.1016/j.jpowsour.2015.04.132"
}
Vujković, M., Mitrić, M.,& Mentus, S. V.. (2015). High-rate intercalation capability of NaTi2(PO4)(3)/C composite in aqueous lithium and sodium nitrate solutions. in Journal of Power Sources, 288, 176-186.
https://doi.org/10.1016/j.jpowsour.2015.04.132
Vujković M, Mitrić M, Mentus SV. High-rate intercalation capability of NaTi2(PO4)(3)/C composite in aqueous lithium and sodium nitrate solutions. in Journal of Power Sources. 2015;288:176-186.
doi:10.1016/j.jpowsour.2015.04.132 .
Vujković, Milica, Mitrić, Miodrag, Mentus, Slavko V., "High-rate intercalation capability of NaTi2(PO4)(3)/C composite in aqueous lithium and sodium nitrate solutions" in Journal of Power Sources, 288 (2015):176-186,
https://doi.org/10.1016/j.jpowsour.2015.04.132 . .
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The balance between acidity and tetragonal phase fraction in the favorable catalytic act of modified zirconia towards isomerized n-hexane(s)

Zarubica, Aleksandra R.; Ranđelović, Marjan S.; Momčilović, Milan Z.; Stojković, Nikola; Vučinić-Vasić, Milica; Radulovic, N.

(2013)

TY  - JOUR
AU  - Zarubica, Aleksandra R.
AU  - Ranđelović, Marjan S.
AU  - Momčilović, Milan Z.
AU  - Stojković, Nikola
AU  - Vučinić-Vasić, Milica
AU  - Radulovic, N.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5369
AB  - Zirconia-based catalysts were promoted by acid functions (sulfate and phosphate anions) and tested in order to establish catalyst efficiency in test reaction of n-hexane isomerization. The impact of surface and structural properties on the final catalytic performance is also investigated. It is proven that well-established balance between total catalyst acidity, acidic surface density and crystal phase nano-structure determines the catalytic activity in the reaction towards isomerized products. Type of acidic promoter strongly affects the resulted catalytic act. This stands for pyrosylfate groups in sulfated zirconia catalysts and orthophosphate groups in phosphated zirconia catalysts both essential in the favorable reaction run.
T2  - Optoelectronics and Advanced Materials - Rapid Communications
T1  - The balance between acidity and tetragonal phase fraction in the favorable catalytic act of modified zirconia towards isomerized n-hexane(s)
VL  - 7
IS  - 1-2
SP  - 62
EP  - 69
UR  - https://hdl.handle.net/21.15107/rcub_vinar_5369
ER  - 
@article{
author = "Zarubica, Aleksandra R. and Ranđelović, Marjan S. and Momčilović, Milan Z. and Stojković, Nikola and Vučinić-Vasić, Milica and Radulovic, N.",
year = "2013",
abstract = "Zirconia-based catalysts were promoted by acid functions (sulfate and phosphate anions) and tested in order to establish catalyst efficiency in test reaction of n-hexane isomerization. The impact of surface and structural properties on the final catalytic performance is also investigated. It is proven that well-established balance between total catalyst acidity, acidic surface density and crystal phase nano-structure determines the catalytic activity in the reaction towards isomerized products. Type of acidic promoter strongly affects the resulted catalytic act. This stands for pyrosylfate groups in sulfated zirconia catalysts and orthophosphate groups in phosphated zirconia catalysts both essential in the favorable reaction run.",
journal = "Optoelectronics and Advanced Materials - Rapid Communications",
title = "The balance between acidity and tetragonal phase fraction in the favorable catalytic act of modified zirconia towards isomerized n-hexane(s)",
volume = "7",
number = "1-2",
pages = "62-69",
url = "https://hdl.handle.net/21.15107/rcub_vinar_5369"
}
Zarubica, A. R., Ranđelović, M. S., Momčilović, M. Z., Stojković, N., Vučinić-Vasić, M.,& Radulovic, N.. (2013). The balance between acidity and tetragonal phase fraction in the favorable catalytic act of modified zirconia towards isomerized n-hexane(s). in Optoelectronics and Advanced Materials - Rapid Communications, 7(1-2), 62-69.
https://hdl.handle.net/21.15107/rcub_vinar_5369
Zarubica AR, Ranđelović MS, Momčilović MZ, Stojković N, Vučinić-Vasić M, Radulovic N. The balance between acidity and tetragonal phase fraction in the favorable catalytic act of modified zirconia towards isomerized n-hexane(s). in Optoelectronics and Advanced Materials - Rapid Communications. 2013;7(1-2):62-69.
https://hdl.handle.net/21.15107/rcub_vinar_5369 .
Zarubica, Aleksandra R., Ranđelović, Marjan S., Momčilović, Milan Z., Stojković, Nikola, Vučinić-Vasić, Milica, Radulovic, N., "The balance between acidity and tetragonal phase fraction in the favorable catalytic act of modified zirconia towards isomerized n-hexane(s)" in Optoelectronics and Advanced Materials - Rapid Communications, 7, no. 1-2 (2013):62-69,
https://hdl.handle.net/21.15107/rcub_vinar_5369 .

DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction

Vasić, Dragana D.; Pašti, Igor A.; Mentus, Slavko V.

(2013)

TY  - JOUR
AU  - Vasić, Dragana D.
AU  - Pašti, Igor A.
AU  - Mentus, Slavko V.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5455
AB  - Platinum and palladium overlayers on W- and C-terminated WC(0001) surface, at coverage ranging from 0.25 ML to 2 ML, have been studied using DFT approach. Strong adhesion of metal monolayers to the WC support, accompanied by a modification of electronic structure, was evidenced. Calculated values of hydrogen binding energy on studied metal overlayers were correlated to available experimentally determined values of exchange current densities of hydrogen oxidation/evolution reaction (HOR/HER), resulting with the volcano curve with both explanatory and predictive power. None of the investigated metal/WC surfaces were found to exceed the Pt(111) surface in terms of catalytic activity toward HER/HOR. The obtained results indicate that WC may efficiently replace the precious metal support in the Pt (Pd) core-shell electrocatalyst for HER/HOR, but no synergism arising due to electronic effects of WC support was evidenced. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
T2  - International Journal of Hydrogen Energy
T1  - DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction
VL  - 38
IS  - 12
SP  - 5009
EP  - 5018
DO  - 10.1016/j.ijhydene.2013.02.020
ER  - 
@article{
author = "Vasić, Dragana D. and Pašti, Igor A. and Mentus, Slavko V.",
year = "2013",
abstract = "Platinum and palladium overlayers on W- and C-terminated WC(0001) surface, at coverage ranging from 0.25 ML to 2 ML, have been studied using DFT approach. Strong adhesion of metal monolayers to the WC support, accompanied by a modification of electronic structure, was evidenced. Calculated values of hydrogen binding energy on studied metal overlayers were correlated to available experimentally determined values of exchange current densities of hydrogen oxidation/evolution reaction (HOR/HER), resulting with the volcano curve with both explanatory and predictive power. None of the investigated metal/WC surfaces were found to exceed the Pt(111) surface in terms of catalytic activity toward HER/HOR. The obtained results indicate that WC may efficiently replace the precious metal support in the Pt (Pd) core-shell electrocatalyst for HER/HOR, but no synergism arising due to electronic effects of WC support was evidenced. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.",
journal = "International Journal of Hydrogen Energy",
title = "DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction",
volume = "38",
number = "12",
pages = "5009-5018",
doi = "10.1016/j.ijhydene.2013.02.020"
}
Vasić, D. D., Pašti, I. A.,& Mentus, S. V.. (2013). DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction. in International Journal of Hydrogen Energy, 38(12), 5009-5018.
https://doi.org/10.1016/j.ijhydene.2013.02.020
Vasić DD, Pašti IA, Mentus SV. DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction. in International Journal of Hydrogen Energy. 2013;38(12):5009-5018.
doi:10.1016/j.ijhydene.2013.02.020 .
Vasić, Dragana D., Pašti, Igor A., Mentus, Slavko V., "DFT study of platinum and palladium overlayers on tungsten carbide: Structure and electrocatalytic activity toward hydrogen oxidation/evolution reaction" in International Journal of Hydrogen Energy, 38, no. 12 (2013):5009-5018,
https://doi.org/10.1016/j.ijhydene.2013.02.020 . .
3
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69

The synthesis of single phase WC nanoparticles/C composite by solid state reaction involving nitrogen-rich carbonized polyaniline

Gavrilov, Nemanja M.; Pašti, Igor A.; Krstić, Jugoslav B.; Mitrić, Miodrag; Ćirić-Marjanović, Gordana N.; Mentus, Slavko V.

(2013)

TY  - JOUR
AU  - Gavrilov, Nemanja M.
AU  - Pašti, Igor A.
AU  - Krstić, Jugoslav B.
AU  - Mitrić, Miodrag
AU  - Ćirić-Marjanović, Gordana N.
AU  - Mentus, Slavko V.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5721
AB  - Single phase tungsten carbide nanoparticles (WC-NPs), (mean particle diameter 5.4 nm), distributed over carbonized polyaniline (C-PANT) nanotubes/nanosheets were synthesized by a solid state reaction between WO3 and nitrogen-rich carbonized polyaniline at 1000 degrees C in a reducing atmosphere. The resulting composite was characterized by X-ray diffractometry, electron microscopy, thermogravimetry in oxidizing and reduction atmospheres and elemental analysis. We suggested that the synthesis of WC as a single phase was facilitated by reactive C atoms with dangling bonds, formed upon nitrogen removal. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
T2  - Ceramics International
T1  - The synthesis of single phase WC nanoparticles/C composite by solid state reaction involving nitrogen-rich carbonized polyaniline
VL  - 39
IS  - 8
SP  - 8761
EP  - 8765
DO  - 10.1016/j.ceramint.2013.04.062
ER  - 
@article{
author = "Gavrilov, Nemanja M. and Pašti, Igor A. and Krstić, Jugoslav B. and Mitrić, Miodrag and Ćirić-Marjanović, Gordana N. and Mentus, Slavko V.",
year = "2013",
abstract = "Single phase tungsten carbide nanoparticles (WC-NPs), (mean particle diameter 5.4 nm), distributed over carbonized polyaniline (C-PANT) nanotubes/nanosheets were synthesized by a solid state reaction between WO3 and nitrogen-rich carbonized polyaniline at 1000 degrees C in a reducing atmosphere. The resulting composite was characterized by X-ray diffractometry, electron microscopy, thermogravimetry in oxidizing and reduction atmospheres and elemental analysis. We suggested that the synthesis of WC as a single phase was facilitated by reactive C atoms with dangling bonds, formed upon nitrogen removal. (C) 2013 Elsevier Ltd and Techna Group S.r.l. All rights reserved.",
journal = "Ceramics International",
title = "The synthesis of single phase WC nanoparticles/C composite by solid state reaction involving nitrogen-rich carbonized polyaniline",
volume = "39",
number = "8",
pages = "8761-8765",
doi = "10.1016/j.ceramint.2013.04.062"
}
Gavrilov, N. M., Pašti, I. A., Krstić, J. B., Mitrić, M., Ćirić-Marjanović, G. N.,& Mentus, S. V.. (2013). The synthesis of single phase WC nanoparticles/C composite by solid state reaction involving nitrogen-rich carbonized polyaniline. in Ceramics International, 39(8), 8761-8765.
https://doi.org/10.1016/j.ceramint.2013.04.062
Gavrilov NM, Pašti IA, Krstić JB, Mitrić M, Ćirić-Marjanović GN, Mentus SV. The synthesis of single phase WC nanoparticles/C composite by solid state reaction involving nitrogen-rich carbonized polyaniline. in Ceramics International. 2013;39(8):8761-8765.
doi:10.1016/j.ceramint.2013.04.062 .
Gavrilov, Nemanja M., Pašti, Igor A., Krstić, Jugoslav B., Mitrić, Miodrag, Ćirić-Marjanović, Gordana N., Mentus, Slavko V., "The synthesis of single phase WC nanoparticles/C composite by solid state reaction involving nitrogen-rich carbonized polyaniline" in Ceramics International, 39, no. 8 (2013):8761-8765,
https://doi.org/10.1016/j.ceramint.2013.04.062 . .
9
10
11

DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities

Vasić, D.; Pašti, Igor A.; Gavrilov, Nemanja M.; Mentus, Slavko V.

(2013)

TY  - JOUR
AU  - Vasić, D.
AU  - Pašti, Igor A.
AU  - Gavrilov, Nemanja M.
AU  - Mentus, Slavko V.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5750
AB  - Adsorption of O, O-2, and OH on Pt(111), Pt(100), and Pt(110) surfaces was studied using periodic DFT calculations. It was found that generally adsorbate-surface interaction strengths increase with the decrease in surface packing density. On the Pt(111) surface the dissociation of O-2 molecule was not predicted, but it was predicted on Pt(100) and Pt(110) surfaces. While the strength of the adsorbate-substrate interaction decreases with the rise in surface coverage by O atoms, in the case of OH adsorption adsorbate layer gets stabilized at higher surface coverage through the hydrogen bonding. In spite of all the mentioned differences, single parameter of surface electronic structure was identified, being useful for the explanation of the adsorption trends at different adsorption sites for O and OH adsorption on Pt surfaces of various crystallographic orientations and also provided a deeper understanding of atomic oxygen adsorption as a function of surface coverage.
T2  - Russian Journal of Physical Chemistry A
T1  - DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities
VL  - 87
IS  - 13
SP  - 2214
EP  - 2218
DO  - 10.1134/S0036024413130256
ER  - 
@article{
author = "Vasić, D. and Pašti, Igor A. and Gavrilov, Nemanja M. and Mentus, Slavko V.",
year = "2013",
abstract = "Adsorption of O, O-2, and OH on Pt(111), Pt(100), and Pt(110) surfaces was studied using periodic DFT calculations. It was found that generally adsorbate-surface interaction strengths increase with the decrease in surface packing density. On the Pt(111) surface the dissociation of O-2 molecule was not predicted, but it was predicted on Pt(100) and Pt(110) surfaces. While the strength of the adsorbate-substrate interaction decreases with the rise in surface coverage by O atoms, in the case of OH adsorption adsorbate layer gets stabilized at higher surface coverage through the hydrogen bonding. In spite of all the mentioned differences, single parameter of surface electronic structure was identified, being useful for the explanation of the adsorption trends at different adsorption sites for O and OH adsorption on Pt surfaces of various crystallographic orientations and also provided a deeper understanding of atomic oxygen adsorption as a function of surface coverage.",
journal = "Russian Journal of Physical Chemistry A",
title = "DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities",
volume = "87",
number = "13",
pages = "2214-2218",
doi = "10.1134/S0036024413130256"
}
Vasić, D., Pašti, I. A., Gavrilov, N. M.,& Mentus, S. V.. (2013). DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities. in Russian Journal of Physical Chemistry A, 87(13), 2214-2218.
https://doi.org/10.1134/S0036024413130256
Vasić D, Pašti IA, Gavrilov NM, Mentus SV. DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities. in Russian Journal of Physical Chemistry A. 2013;87(13):2214-2218.
doi:10.1134/S0036024413130256 .
Vasić, D., Pašti, Igor A., Gavrilov, Nemanja M., Mentus, Slavko V., "DFT study of interaction of O, O-2, and OH with unreconstructed Pt(hkl) (h, k, l=0, 1) surfaces-similarities, differences, and universalities" in Russian Journal of Physical Chemistry A, 87, no. 13 (2013):2214-2218,
https://doi.org/10.1134/S0036024413130256 . .
7
7
8

Oxygen reduction reaction of Pt-In alloy: Combined theoretical and experimental investigations

Pašti, Igor A.; Gavrilov, Nemanja M.; Baljozović, Miloš; Mitrić, Miodrag; Mentus, Slavko V.

(2013)

TY  - JOUR
AU  - Pašti, Igor A.
AU  - Gavrilov, Nemanja M.
AU  - Baljozović, Miloš
AU  - Mitrić, Miodrag
AU  - Mentus, Slavko V.
PY  - 2013
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/5856
AB  - By means of the density functional theory (DFT) calculations, using the adsorption energy of oxygen on single crystal surfaces as criterion, it was predicted that the alloying of Pt with In should improve kinetics of oxygen reduction reaction (ORR). To prove this, the Pt-In alloy having nominal composition Pt9In was synthesized by heating H2PtCl6-InCl3 mixture in hydrogen stream. The XRD characterization confirmed that Pt-In alloy was formed. The electrochemical measurements by rotating disk technique in alkaline 0.1 mol dm(-3) KOH solution evidenced faster ORR kinetics for factor 2.6 relative to the one on pure platinum. This offers the possibility of searching for new ORR electrocatalysts by alloying platinum with p-elements. (C) 2013 Elsevier Ltd. All rights reserved.
T2  - Electrochimica Acta
T1  - Oxygen reduction reaction of Pt-In alloy: Combined theoretical and experimental investigations
VL  - 114
SP  - 706
EP  - 712
DO  - 10.1016/j.electacta.2013.10.114
ER  - 
@article{
author = "Pašti, Igor A. and Gavrilov, Nemanja M. and Baljozović, Miloš and Mitrić, Miodrag and Mentus, Slavko V.",
year = "2013",
abstract = "By means of the density functional theory (DFT) calculations, using the adsorption energy of oxygen on single crystal surfaces as criterion, it was predicted that the alloying of Pt with In should improve kinetics of oxygen reduction reaction (ORR). To prove this, the Pt-In alloy having nominal composition Pt9In was synthesized by heating H2PtCl6-InCl3 mixture in hydrogen stream. The XRD characterization confirmed that Pt-In alloy was formed. The electrochemical measurements by rotating disk technique in alkaline 0.1 mol dm(-3) KOH solution evidenced faster ORR kinetics for factor 2.6 relative to the one on pure platinum. This offers the possibility of searching for new ORR electrocatalysts by alloying platinum with p-elements. (C) 2013 Elsevier Ltd. All rights reserved.",
journal = "Electrochimica Acta",
title = "Oxygen reduction reaction of Pt-In alloy: Combined theoretical and experimental investigations",
volume = "114",
pages = "706-712",
doi = "10.1016/j.electacta.2013.10.114"
}
Pašti, I. A., Gavrilov, N. M., Baljozović, M., Mitrić, M.,& Mentus, S. V.. (2013). Oxygen reduction reaction of Pt-In alloy: Combined theoretical and experimental investigations. in Electrochimica Acta, 114, 706-712.
https://doi.org/10.1016/j.electacta.2013.10.114
Pašti IA, Gavrilov NM, Baljozović M, Mitrić M, Mentus SV. Oxygen reduction reaction of Pt-In alloy: Combined theoretical and experimental investigations. in Electrochimica Acta. 2013;114:706-712.
doi:10.1016/j.electacta.2013.10.114 .
Pašti, Igor A., Gavrilov, Nemanja M., Baljozović, Miloš, Mitrić, Miodrag, Mentus, Slavko V., "Oxygen reduction reaction of Pt-In alloy: Combined theoretical and experimental investigations" in Electrochimica Acta, 114 (2013):706-712,
https://doi.org/10.1016/j.electacta.2013.10.114 . .
17
14
16

Electrocatalysis of oxygen reduction reaction on polyaniline-derived nitrogen-doped carbon nanoparticle surfaces in alkaline media

Gavrilov, Nemanja M.; Pašti, Igor A.; Mitrić, Miodrag; Travas-Sejdic, Jadranka; Ćirić-Marjanović, Gordana N.; Mentus, Slavko V.

(2012)

TY  - JOUR
AU  - Gavrilov, Nemanja M.
AU  - Pašti, Igor A.
AU  - Mitrić, Miodrag
AU  - Travas-Sejdic, Jadranka
AU  - Ćirić-Marjanović, Gordana N.
AU  - Mentus, Slavko V.
PY  - 2012
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/4358
AB  - Nitrogen-doped carbon nanomaterials were synthesized by the carbonization of three different nanostructured polyaniline (PANI) salt precursors: PANI 3,5-dinitrosalicylate nanorods, PANI 5-sulfosalicylate nanorods/nanotubes, and PANI hydrogen sulfate nanorods/nanotubes/nanosheets. A comparative study of the electrocatalytic activity of these materials for oxygen reduction reaction (ORR) in alkaline solution was performed by using rotating disk electrode voltammetry. The electrochemical data were correlated to the structural and textural data obtained by Raman spectroscopy, X-ray diffractometry, X-ray photoelectron spectroscopy, elemental analysis and nitrogen sorption analysis. A fine interplay of textural characteristics, overall content of surface nitrogen and content of specific surface nitrogen functional groups were found to be responsible for a considerable variations in electrocatalytic properties toward ORR, involving variations in apparent number of electrons exchanged per O-2 molecule (from 2 to nearly 4) and variations in onset potential. The catalyst loading was found to influence remarkably the ORR kinetics. The excellent electrocatalytic activity was found for carbonized PANI 5-sulfosalicylate. Namely, it exhibited the most positive onset potential amounting to -0.05 V vs. SCE at a catalyst loading of 500 mu g cm(-2). The interrelation between the electrocatalytic activity and the electrical double layer charging/discharging characteristics of the investigated N-doped nanocarbon materials was revealed. (C) 2012 Elsevier B.V. All rights reserved.
T2  - Journal of Power Sources
T1  - Electrocatalysis of oxygen reduction reaction on polyaniline-derived nitrogen-doped carbon nanoparticle surfaces in alkaline media
VL  - 220
SP  - 306
EP  - 316
DO  - 10.1016/j.jpowsour.2012.07.119
ER  - 
@article{
author = "Gavrilov, Nemanja M. and Pašti, Igor A. and Mitrić, Miodrag and Travas-Sejdic, Jadranka and Ćirić-Marjanović, Gordana N. and Mentus, Slavko V.",
year = "2012",
abstract = "Nitrogen-doped carbon nanomaterials were synthesized by the carbonization of three different nanostructured polyaniline (PANI) salt precursors: PANI 3,5-dinitrosalicylate nanorods, PANI 5-sulfosalicylate nanorods/nanotubes, and PANI hydrogen sulfate nanorods/nanotubes/nanosheets. A comparative study of the electrocatalytic activity of these materials for oxygen reduction reaction (ORR) in alkaline solution was performed by using rotating disk electrode voltammetry. The electrochemical data were correlated to the structural and textural data obtained by Raman spectroscopy, X-ray diffractometry, X-ray photoelectron spectroscopy, elemental analysis and nitrogen sorption analysis. A fine interplay of textural characteristics, overall content of surface nitrogen and content of specific surface nitrogen functional groups were found to be responsible for a considerable variations in electrocatalytic properties toward ORR, involving variations in apparent number of electrons exchanged per O-2 molecule (from 2 to nearly 4) and variations in onset potential. The catalyst loading was found to influence remarkably the ORR kinetics. The excellent electrocatalytic activity was found for carbonized PANI 5-sulfosalicylate. Namely, it exhibited the most positive onset potential amounting to -0.05 V vs. SCE at a catalyst loading of 500 mu g cm(-2). The interrelation between the electrocatalytic activity and the electrical double layer charging/discharging characteristics of the investigated N-doped nanocarbon materials was revealed. (C) 2012 Elsevier B.V. All rights reserved.",
journal = "Journal of Power Sources",
title = "Electrocatalysis of oxygen reduction reaction on polyaniline-derived nitrogen-doped carbon nanoparticle surfaces in alkaline media",
volume = "220",
pages = "306-316",
doi = "10.1016/j.jpowsour.2012.07.119"
}
Gavrilov, N. M., Pašti, I. A., Mitrić, M., Travas-Sejdic, J., Ćirić-Marjanović, G. N.,& Mentus, S. V.. (2012). Electrocatalysis of oxygen reduction reaction on polyaniline-derived nitrogen-doped carbon nanoparticle surfaces in alkaline media. in Journal of Power Sources, 220, 306-316.
https://doi.org/10.1016/j.jpowsour.2012.07.119
Gavrilov NM, Pašti IA, Mitrić M, Travas-Sejdic J, Ćirić-Marjanović GN, Mentus SV. Electrocatalysis of oxygen reduction reaction on polyaniline-derived nitrogen-doped carbon nanoparticle surfaces in alkaline media. in Journal of Power Sources. 2012;220:306-316.
doi:10.1016/j.jpowsour.2012.07.119 .
Gavrilov, Nemanja M., Pašti, Igor A., Mitrić, Miodrag, Travas-Sejdic, Jadranka, Ćirić-Marjanović, Gordana N., Mentus, Slavko V., "Electrocatalysis of oxygen reduction reaction on polyaniline-derived nitrogen-doped carbon nanoparticle surfaces in alkaline media" in Journal of Power Sources, 220 (2012):306-316,
https://doi.org/10.1016/j.jpowsour.2012.07.119 . .
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