TY  - JOUR
AU  - Stavrić, Srđan
AU  - Chesnyak, Valeria
AU  - del Puppo, Simone
AU  - Panighel, Mirco
AU  - Comelli, Giovanni
AU  - Africh, Cristina
AU  - Šljivančanin, Željko
AU  - Peressi, Maria
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11833
AB  - The role of moiré graphene superstructures in favoring confined adsorption of different metal atoms is an intriguing problem not yet completely solved. Graphene (G) grown on Ni(100) forms a striped moiré pattern of valleys, where G approaches the nickel substrate and interacts with it rather strongly, and ridges, where G stays far away from the substrate and acts almost free-standing. Combining density functional theory (DFT) calculations and scanning-tunneling microscopy (STM) measurements, we show that this peculiar moiré constitutes a regular nanostructured template on a 2D support, confining in 1D trails single metal atoms and few atoms clusters. DFT calculations show that the confinement is selective and highly dependent on the atomic species, with some species preferring to adsorb on ridges and the other showing preference for valleys. Co and Au adsorbates, for instance, have opposite behavior, as predicted by DFT and observed by STM. The origin of such disparate behavior is traced back to the electrostatic interaction between the charged adsorbate and the nickel surface. Moreover, the selectivity is not restricted to the adsorption process only, but persists as adsorbate starts its diffusion, resulting in unidirectional mass transport on a continuous 2D support. These findings hold great promise for exploiting tailored nanostructured templates in a wide range of potential applications involving mass transport along element-specific routes.
T2  - Carbon
T1  - 1D selective confinement and diffusion of metal atoms on graphene
VL  - 215
SP  - 118486
DO  - 10.1016/j.carbon.2023.118486
ER  - 

@article{
author = "Stavrić, Srđan and Chesnyak, Valeria and del Puppo, Simone and Panighel, Mirco and Comelli, Giovanni and Africh, Cristina and Šljivančanin, Željko and Peressi, Maria",
year = "2023",
abstract = "The role of moiré graphene superstructures in favoring confined adsorption of different metal atoms is an intriguing problem not yet completely solved. Graphene (G) grown on Ni(100) forms a striped moiré pattern of valleys, where G approaches the nickel substrate and interacts with it rather strongly, and ridges, where G stays far away from the substrate and acts almost free-standing. Combining density functional theory (DFT) calculations and scanning-tunneling microscopy (STM) measurements, we show that this peculiar moiré constitutes a regular nanostructured template on a 2D support, confining in 1D trails single metal atoms and few atoms clusters. DFT calculations show that the confinement is selective and highly dependent on the atomic species, with some species preferring to adsorb on ridges and the other showing preference for valleys. Co and Au adsorbates, for instance, have opposite behavior, as predicted by DFT and observed by STM. The origin of such disparate behavior is traced back to the electrostatic interaction between the charged adsorbate and the nickel surface. Moreover, the selectivity is not restricted to the adsorption process only, but persists as adsorbate starts its diffusion, resulting in unidirectional mass transport on a continuous 2D support. These findings hold great promise for exploiting tailored nanostructured templates in a wide range of potential applications involving mass transport along element-specific routes.",
journal = "Carbon",
title = "1D selective confinement and diffusion of metal atoms on graphene",
volume = "215",
pages = "118486",
doi = "10.1016/j.carbon.2023.118486"
}

Stavrić, S., Chesnyak, V., del Puppo, S., Panighel, M., Comelli, G., Africh, C., Šljivančanin, Ž.,& Peressi, M.. (2023). 1D selective confinement and diffusion of metal atoms on graphene. in Carbon, 215, 118486.
https://doi.org/10.1016/j.carbon.2023.118486

Stavrić S, Chesnyak V, del Puppo S, Panighel M, Comelli G, Africh C, Šljivančanin Ž, Peressi M. 1D selective confinement and diffusion of metal atoms on graphene. in Carbon. 2023;215:118486.
doi:10.1016/j.carbon.2023.118486 .

Stavrić, Srđan, Chesnyak, Valeria, del Puppo, Simone, Panighel, Mirco, Comelli, Giovanni, Africh, Cristina, Šljivančanin, Željko, Peressi, Maria, "1D selective confinement and diffusion of metal atoms on graphene" in Carbon, 215 (2023):118486,
https://doi.org/10.1016/j.carbon.2023.118486 . .

TY  - CONF
AU  - Stavrić, Srđan
AU  - Barone, Paolo
AU  - Picozzi, Silvia
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12424
AB  - Combining the density functional theory calculations with Hamiltonian modelling and symmetry analysis, we study the anisotropic interlayer exchange in bilayer CrI3. To calculate the anisotropic interlayer exchange that is usually an order of magnitude smaller than the isotropic Heisenberg exchange, we develop an accurate computational procedure that can be applied to any two-dimensional (2D) magnetic heterostructure. We find a considerable interlayer Dzyaloshinskii-Moriya (DM) and an order of magnitude smaller Kitaev interaction between the layers' sublattices. Our finding demonstrates the ability of iodine ligands to efficiently mediate the interlayer DM interaction owing to their delocalized 5p orbitals that feature strong spin-orbit coupling. In addition, we show that the single-ion anisotropy, that is usually perceived as the magnetic property inherent of monolayer, largely depends on stacking and increases by 50% from monoclinic to rhombohedral bilayers. Our study gives promise that semiconducting magnetic van der Waals heterostructures can be employed for the chiral control of spin textures, similar to what is experimentally realized only with metallic ferromagnetic thin films.
C3  - SFKM : 21. Simpozijum fizike kondenzovane materije = SCMP : the 21st symposium on condensed matter physics : book of abstracts
T1  - The Anisotropic Interlayer Exchange in Van Der Waals 2D Magnets
SP  - 70
EP  - 70
UR  - https://hdl.handle.net/21.15107/rcub_vinar_12424
ER  - 

@conference{
author = "Stavrić, Srđan and Barone, Paolo and Picozzi, Silvia",
year = "2023",
abstract = "Combining the density functional theory calculations with Hamiltonian modelling and symmetry analysis, we study the anisotropic interlayer exchange in bilayer CrI3. To calculate the anisotropic interlayer exchange that is usually an order of magnitude smaller than the isotropic Heisenberg exchange, we develop an accurate computational procedure that can be applied to any two-dimensional (2D) magnetic heterostructure. We find a considerable interlayer Dzyaloshinskii-Moriya (DM) and an order of magnitude smaller Kitaev interaction between the layers' sublattices. Our finding demonstrates the ability of iodine ligands to efficiently mediate the interlayer DM interaction owing to their delocalized 5p orbitals that feature strong spin-orbit coupling. In addition, we show that the single-ion anisotropy, that is usually perceived as the magnetic property inherent of monolayer, largely depends on stacking and increases by 50% from monoclinic to rhombohedral bilayers. Our study gives promise that semiconducting magnetic van der Waals heterostructures can be employed for the chiral control of spin textures, similar to what is experimentally realized only with metallic ferromagnetic thin films.",
journal = "SFKM : 21. Simpozijum fizike kondenzovane materije = SCMP : the 21st symposium on condensed matter physics : book of abstracts",
title = "The Anisotropic Interlayer Exchange in Van Der Waals 2D Magnets",
pages = "70-70",
url = "https://hdl.handle.net/21.15107/rcub_vinar_12424"
}

Stavrić, S., Barone, P.,& Picozzi, S.. (2023). The Anisotropic Interlayer Exchange in Van Der Waals 2D Magnets. in SFKM : 21. Simpozijum fizike kondenzovane materije = SCMP : the 21st symposium on condensed matter physics : book of abstracts, 70-70.
https://hdl.handle.net/21.15107/rcub_vinar_12424

Stavrić S, Barone P, Picozzi S. The Anisotropic Interlayer Exchange in Van Der Waals 2D Magnets. in SFKM : 21. Simpozijum fizike kondenzovane materije = SCMP : the 21st symposium on condensed matter physics : book of abstracts. 2023;:70-70.
https://hdl.handle.net/21.15107/rcub_vinar_12424 .

Stavrić, Srđan, Barone, Paolo, Picozzi, Silvia, "The Anisotropic Interlayer Exchange in Van Der Waals 2D Magnets" in SFKM : 21. Simpozijum fizike kondenzovane materije = SCMP : the 21st symposium on condensed matter physics : book of abstracts (2023):70-70,
https://hdl.handle.net/21.15107/rcub_vinar_12424 .

TY  - JOUR
AU  - Stavrić, Srđan
AU  - Barone, Paolo
AU  - Picozzi, Silvia
PY  - 2023
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/12296
AB  - Bilayer CrI3 attracted much attention due to stacking-induced switching between the layered ferromagnetic and antiferromagnetic order. This discovery brought under the spotlight the interlayer Cr–Cr exchange interaction, which despite being much weaker than the intralayer exchange, plays an important role in shaping the magnetic properties of bilayer CrI3. In this work we delve into the anisotropic part of the interlayer exchange with the aim to separate the contributions from the Dzyaloshinskii–Moriya (DMI) and the Kitaev interactions (KI). We leverage the density functional theory calculations with spin Hamiltonian modeling and develop an energy mapping procedure to assess these anisotropic interactions with μeV accuracy. After inspecting the rhombohedral and monoclinic stacking sequences of bilayer CrI3, we reveal a considerable DMI and a weak interlayer KI between the sublattices of a monoclinic bilayer. We explain the dependence of DMI and KI on the interlayer distance, stacking sequence, and the spin–orbit coupling strength, and we suggest the dominant superexchange processes at play. In addition, we demonstrate that the single-ion anisotropy in bilayer CrI3 is highly stacking-dependent, increasing by 50% from monoclinic to rhombohedral bilayer. Remarkably, our findings prove that iodines are highly efficient in mediating the DMI across the van der Waals gap, much owing to spatially extended 5p orbitals which feature strong spin–orbit coupling. Our study gives promise that the interlayer chiral control of spin textures, demonstrated in thin metallic films where the DMI is with a much longer range, can be achieved with similar efficiency in semiconducting two-dimensional van der Waals magnets.
T2  - 2D Materials
T1  - Delving into the anisotropic interlayer exchange in bilayer CrI3
VL  - 11
IS  - 1
SP  - 015020
DO  - 10.1088/2053-1583/ad1313
ER  - 

@article{
author = "Stavrić, Srđan and Barone, Paolo and Picozzi, Silvia",
year = "2023",
abstract = "Bilayer CrI3 attracted much attention due to stacking-induced switching between the layered ferromagnetic and antiferromagnetic order. This discovery brought under the spotlight the interlayer Cr–Cr exchange interaction, which despite being much weaker than the intralayer exchange, plays an important role in shaping the magnetic properties of bilayer CrI3. In this work we delve into the anisotropic part of the interlayer exchange with the aim to separate the contributions from the Dzyaloshinskii–Moriya (DMI) and the Kitaev interactions (KI). We leverage the density functional theory calculations with spin Hamiltonian modeling and develop an energy mapping procedure to assess these anisotropic interactions with μeV accuracy. After inspecting the rhombohedral and monoclinic stacking sequences of bilayer CrI3, we reveal a considerable DMI and a weak interlayer KI between the sublattices of a monoclinic bilayer. We explain the dependence of DMI and KI on the interlayer distance, stacking sequence, and the spin–orbit coupling strength, and we suggest the dominant superexchange processes at play. In addition, we demonstrate that the single-ion anisotropy in bilayer CrI3 is highly stacking-dependent, increasing by 50% from monoclinic to rhombohedral bilayer. Remarkably, our findings prove that iodines are highly efficient in mediating the DMI across the van der Waals gap, much owing to spatially extended 5p orbitals which feature strong spin–orbit coupling. Our study gives promise that the interlayer chiral control of spin textures, demonstrated in thin metallic films where the DMI is with a much longer range, can be achieved with similar efficiency in semiconducting two-dimensional van der Waals magnets.",
journal = "2D Materials",
title = "Delving into the anisotropic interlayer exchange in bilayer CrI3",
volume = "11",
number = "1",
pages = "015020",
doi = "10.1088/2053-1583/ad1313"
}

Stavrić, S., Barone, P.,& Picozzi, S.. (2023). Delving into the anisotropic interlayer exchange in bilayer CrI3. in 2D Materials, 11(1), 015020.
https://doi.org/10.1088/2053-1583/ad1313

Stavrić S, Barone P, Picozzi S. Delving into the anisotropic interlayer exchange in bilayer CrI3. in 2D Materials. 2023;11(1):015020.
doi:10.1088/2053-1583/ad1313 .

Stavrić, Srđan, Barone, Paolo, Picozzi, Silvia, "Delving into the anisotropic interlayer exchange in bilayer CrI3" in 2D Materials, 11, no. 1 (2023):015020,
https://doi.org/10.1088/2053-1583/ad1313 . .

TY  - JOUR
AU  - Sredojević, Dušan
AU  - Stavrić, Srđan
AU  - Lazić, Vesna M.
AU  - Ahrenkiel, S. Phillip
AU  - Nedeljković, Jovan
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10352
AB  - The optical properties of surface-modified silver nanoparticles (Ag NPs) with aromatic amino acids tryptophan (Trp) and histidine (His) were examined using the cluster model for density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. Also, the redistribution of electronic charges upon chemisorption of ligand molecules onto silver's surfaces is determined. The obtained theoretical data, on one side, undoubtedly indicate the the formation of an interfacial charge transfer (ICT) complex between silver and this type of ligand, and, on the other side, partial oxidation of surface silver atoms accompanied by an increase of electron density in ligand molecules. The ICT complex formation, based on noble metal nanoparticles, has never been reported previously to the best of our knowledge. The experimental spectroscopic measurements support the theoretical data. A new absorption band in the visible spectral range appears upon surface modification of Ag NPs, and, when exposed to air, oxidation of surface-modified Ag NPs is significantly faster than the oxidation of the unmodified ones.
T2  - Physical Chemistry Chemical Physics
T1  - Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids
VL  - 24
IS  - 27
SP  - 16493
EP  - 16500
DO  - 10.1039/D2CP02041F
ER  - 

@article{
author = "Sredojević, Dušan and Stavrić, Srđan and Lazić, Vesna M. and Ahrenkiel, S. Phillip and Nedeljković, Jovan",
year = "2022",
abstract = "The optical properties of surface-modified silver nanoparticles (Ag NPs) with aromatic amino acids tryptophan (Trp) and histidine (His) were examined using the cluster model for density functional theory (DFT) and time-dependent density functional theory (TD-DFT) calculations. Also, the redistribution of electronic charges upon chemisorption of ligand molecules onto silver's surfaces is determined. The obtained theoretical data, on one side, undoubtedly indicate the the formation of an interfacial charge transfer (ICT) complex between silver and this type of ligand, and, on the other side, partial oxidation of surface silver atoms accompanied by an increase of electron density in ligand molecules. The ICT complex formation, based on noble metal nanoparticles, has never been reported previously to the best of our knowledge. The experimental spectroscopic measurements support the theoretical data. A new absorption band in the visible spectral range appears upon surface modification of Ag NPs, and, when exposed to air, oxidation of surface-modified Ag NPs is significantly faster than the oxidation of the unmodified ones.",
journal = "Physical Chemistry Chemical Physics",
title = "Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids",
volume = "24",
number = "27",
pages = "16493-16500",
doi = "10.1039/D2CP02041F"
}

Sredojević, D., Stavrić, S., Lazić, V. M., Ahrenkiel, S. P.,& Nedeljković, J.. (2022). Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids. in Physical Chemistry Chemical Physics, 24(27), 16493-16500.
https://doi.org/10.1039/D2CP02041F

Sredojević D, Stavrić S, Lazić VM, Ahrenkiel SP, Nedeljković J. Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids. in Physical Chemistry Chemical Physics. 2022;24(27):16493-16500.
doi:10.1039/D2CP02041F .

Sredojević, Dušan, Stavrić, Srđan, Lazić, Vesna M., Ahrenkiel, S. Phillip, Nedeljković, Jovan, "Interfacial charge transfer complex formation between silver nanoparticles and aromatic amino acids" in Physical Chemistry Chemical Physics, 24, no. 27 (2022):16493-16500,
https://doi.org/10.1039/D2CP02041F . .

TY  - JOUR
AU  - Chesnyak, Valeria
AU  - Stavrić, Srđan
AU  - Panighel, Mirco
AU  - Comelli, Giovanni
AU  - Peressi, Maria
AU  - Africh, Cristina
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10208
AB  - The influence on the growth of cobalt (Co)-based nanostructures of a surface carbide (Ni2C) layer formed at the Ni(100) surface is revealed via complementary scanning tunneling microscopy (STM) measurements and first-principles calculations. On clean Ni(100) below 200 °C in the sub-monolayer regime, Co forms randomly distributed two-dimensional (2D) islands, while on Ni2C it grows in the direction perpendicular to the surface as well, thus forming two-atomic-layers high islands. We present a simple yet powerful model that explains the different Co growth modes for the two surfaces. A jagged step decoration, not visible on stepped Ni(100), is present on Ni2C. This contrasting behavior on Ni2C is explained by the sharp differences in the mobility of Co atoms for the two cases. By increasing the temperature, Co dissolution is activated with almost no remaining Co at 250 °C on Ni(100) and Co islands still visible on the Ni2C surface up to 300 °C. The higher thermal stability of Co above the Ni2C surface is rationalized by ab initio calculations, which also suggest the existence of a vacancy-assisted mechanism for Co dissolution in Ni(100). The methodology presented in this paper, combining systematically STM measurements with first-principles calculations and computational modelling, opens the way to controlled engineering of bimetallic surfaces with tailored properties.
T2  - Nanoscale
T1  - Carbide coating on nickel to enhance the stability of supported metal nanoclusters
VL  - 14
IS  - 9
SP  - 3589
EP  - 3598
DO  - 10.1039/D1NR06485A
ER  - 

@article{
author = "Chesnyak, Valeria and Stavrić, Srđan and Panighel, Mirco and Comelli, Giovanni and Peressi, Maria and Africh, Cristina",
year = "2022",
abstract = "The influence on the growth of cobalt (Co)-based nanostructures of a surface carbide (Ni2C) layer formed at the Ni(100) surface is revealed via complementary scanning tunneling microscopy (STM) measurements and first-principles calculations. On clean Ni(100) below 200 °C in the sub-monolayer regime, Co forms randomly distributed two-dimensional (2D) islands, while on Ni2C it grows in the direction perpendicular to the surface as well, thus forming two-atomic-layers high islands. We present a simple yet powerful model that explains the different Co growth modes for the two surfaces. A jagged step decoration, not visible on stepped Ni(100), is present on Ni2C. This contrasting behavior on Ni2C is explained by the sharp differences in the mobility of Co atoms for the two cases. By increasing the temperature, Co dissolution is activated with almost no remaining Co at 250 °C on Ni(100) and Co islands still visible on the Ni2C surface up to 300 °C. The higher thermal stability of Co above the Ni2C surface is rationalized by ab initio calculations, which also suggest the existence of a vacancy-assisted mechanism for Co dissolution in Ni(100). The methodology presented in this paper, combining systematically STM measurements with first-principles calculations and computational modelling, opens the way to controlled engineering of bimetallic surfaces with tailored properties.",
journal = "Nanoscale",
title = "Carbide coating on nickel to enhance the stability of supported metal nanoclusters",
volume = "14",
number = "9",
pages = "3589-3598",
doi = "10.1039/D1NR06485A"
}

Chesnyak, V., Stavrić, S., Panighel, M., Comelli, G., Peressi, M.,& Africh, C.. (2022). Carbide coating on nickel to enhance the stability of supported metal nanoclusters. in Nanoscale, 14(9), 3589-3598.
https://doi.org/10.1039/D1NR06485A

Chesnyak V, Stavrić S, Panighel M, Comelli G, Peressi M, Africh C. Carbide coating on nickel to enhance the stability of supported metal nanoclusters. in Nanoscale. 2022;14(9):3589-3598.
doi:10.1039/D1NR06485A .

Chesnyak, Valeria, Stavrić, Srđan, Panighel, Mirco, Comelli, Giovanni, Peressi, Maria, Africh, Cristina, "Carbide coating on nickel to enhance the stability of supported metal nanoclusters" in Nanoscale, 14, no. 9 (2022):3589-3598,
https://doi.org/10.1039/D1NR06485A . .

TY  - JOUR
AU  - Stavrić, Srđan
AU  - Chesnyak, Valeria
AU  - Panighel, Mirco
AU  - Comelli, Giovanni
AU  - Africh, Cristina
AU  - Peressi, Maria
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10704
AB  - Transition metal atoms are commonly used in catalysis and photo-catalysis, but their potential reactivity reduces with aggregation and alloying. We investigate in particular whether Cobalt adatoms float on Ni surfaces or dissolve into the metal. Density functional theory calculations have been performed in order to evaluate the stability of different Cobalt adsorption configurations on Nickel surfaces, mainly at (100) terraces and steps, and the relevant energy barriers for diffusion on terraces and across steps, segregation and dissolution into the substrate. The simulations have been compared with variable temperature scanning tunneling microscopy and low energy electron diffraction. The results show that the Cobalt adatoms and small aggregates are unstable with respect to the formation of Co-Ni alloys, but the presence of a carbide monolayer on Ni surface improve their stability. © 2022 Societa Italiana di Fisica. All rights reserved.
T2  - Il Nuovo Cimento C
T1  - Cobalt on nickel surfaces and the role of carbide on its stability
VL  - 45
IS  - 6
DO  - 10.1393/ncc/i2022-22177-5
ER  - 

@article{
author = "Stavrić, Srđan and Chesnyak, Valeria and Panighel, Mirco and Comelli, Giovanni and Africh, Cristina and Peressi, Maria",
year = "2022",
abstract = "Transition metal atoms are commonly used in catalysis and photo-catalysis, but their potential reactivity reduces with aggregation and alloying. We investigate in particular whether Cobalt adatoms float on Ni surfaces or dissolve into the metal. Density functional theory calculations have been performed in order to evaluate the stability of different Cobalt adsorption configurations on Nickel surfaces, mainly at (100) terraces and steps, and the relevant energy barriers for diffusion on terraces and across steps, segregation and dissolution into the substrate. The simulations have been compared with variable temperature scanning tunneling microscopy and low energy electron diffraction. The results show that the Cobalt adatoms and small aggregates are unstable with respect to the formation of Co-Ni alloys, but the presence of a carbide monolayer on Ni surface improve their stability. © 2022 Societa Italiana di Fisica. All rights reserved.",
journal = "Il Nuovo Cimento C",
title = "Cobalt on nickel surfaces and the role of carbide on its stability",
volume = "45",
number = "6",
doi = "10.1393/ncc/i2022-22177-5"
}

Stavrić, S., Chesnyak, V., Panighel, M., Comelli, G., Africh, C.,& Peressi, M.. (2022). Cobalt on nickel surfaces and the role of carbide on its stability. in Il Nuovo Cimento C, 45(6).
https://doi.org/10.1393/ncc/i2022-22177-5

Stavrić S, Chesnyak V, Panighel M, Comelli G, Africh C, Peressi M. Cobalt on nickel surfaces and the role of carbide on its stability. in Il Nuovo Cimento C. 2022;45(6).
doi:10.1393/ncc/i2022-22177-5 .

Stavrić, Srđan, Chesnyak, Valeria, Panighel, Mirco, Comelli, Giovanni, Africh, Cristina, Peressi, Maria, "Cobalt on nickel surfaces and the role of carbide on its stability" in Il Nuovo Cimento C, 45, no. 6 (2022),
https://doi.org/10.1393/ncc/i2022-22177-5 . .

TY  - JOUR
AU  - Stavrić, Srđan
AU  - del Puppo, Simone
AU  - Šljivančanin, Željko
AU  - Peressi, Maria
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9561
AB  - Recent experiments indicate that the reactivity of metal surfaces changes profoundly when they are covered with two-dimensional (2D) materials. Nickel, the widespread catalyst choice for graphene (G) growth, exhibits complex surface restructuring even after the G sheet is fully grown. In particular, due to excess carbon segregation from bulk nickel to surface upon cooling, a nickel carbide (Ni2C) phase is detected under rotated graphene (RG) but not under epitaxial graphene (EG). Motivated by this experimental evidence, we construct different G/Ni(111) interface models accounting for the two types of G domains. Then, by applying density functional theory, we illuminate the microscopic mechanisms governing the structural changes of nickel surface induced by carbon segregation. A high concentration of subsurface carbon reduces the structural stability of Ni(111) surface and gives rise to the formation of thermodynamically advantageous Ni2C monolayer. We show the restructuring of the nickel surface under RG cover and reveal the essential role of G rotation in enabling high density of favorable C binding sites in the Ni(111) subsurface. As opposed to RG, the EG cover locks the majority of favorable C binding sites preventing the build-up of subsurface carbon density to a phase transition threshold. Therefore we confirm that the conversion of C-rich Ni surface to Ni2C takes place exclusively under RG cover, in line with the strong experimental evidence. © 2021 American Physical Society.
T2  - Physical Review Materials
T1  - First-principles study of nickel reactivity under two-dimensional cover: Ni2 C formation at rotated graphene/Ni(111) interface
VL  - 5
IS  - 1
SP  - 014003
DO  - 10.1103/PhysRevMaterials.5.014003
ER  - 

@article{
author = "Stavrić, Srđan and del Puppo, Simone and Šljivančanin, Željko and Peressi, Maria",
year = "2021",
abstract = "Recent experiments indicate that the reactivity of metal surfaces changes profoundly when they are covered with two-dimensional (2D) materials. Nickel, the widespread catalyst choice for graphene (G) growth, exhibits complex surface restructuring even after the G sheet is fully grown. In particular, due to excess carbon segregation from bulk nickel to surface upon cooling, a nickel carbide (Ni2C) phase is detected under rotated graphene (RG) but not under epitaxial graphene (EG). Motivated by this experimental evidence, we construct different G/Ni(111) interface models accounting for the two types of G domains. Then, by applying density functional theory, we illuminate the microscopic mechanisms governing the structural changes of nickel surface induced by carbon segregation. A high concentration of subsurface carbon reduces the structural stability of Ni(111) surface and gives rise to the formation of thermodynamically advantageous Ni2C monolayer. We show the restructuring of the nickel surface under RG cover and reveal the essential role of G rotation in enabling high density of favorable C binding sites in the Ni(111) subsurface. As opposed to RG, the EG cover locks the majority of favorable C binding sites preventing the build-up of subsurface carbon density to a phase transition threshold. Therefore we confirm that the conversion of C-rich Ni surface to Ni2C takes place exclusively under RG cover, in line with the strong experimental evidence. © 2021 American Physical Society.",
journal = "Physical Review Materials",
title = "First-principles study of nickel reactivity under two-dimensional cover: Ni2 C formation at rotated graphene/Ni(111) interface",
volume = "5",
number = "1",
pages = "014003",
doi = "10.1103/PhysRevMaterials.5.014003"
}

Stavrić, S., del Puppo, S., Šljivančanin, Ž.,& Peressi, M.. (2021). First-principles study of nickel reactivity under two-dimensional cover: Ni2 C formation at rotated graphene/Ni(111) interface. in Physical Review Materials, 5(1), 014003.
https://doi.org/10.1103/PhysRevMaterials.5.014003

Stavrić S, del Puppo S, Šljivančanin Ž, Peressi M. First-principles study of nickel reactivity under two-dimensional cover: Ni2 C formation at rotated graphene/Ni(111) interface. in Physical Review Materials. 2021;5(1):014003.
doi:10.1103/PhysRevMaterials.5.014003 .

Stavrić, Srđan, del Puppo, Simone, Šljivančanin, Željko, Peressi, Maria, "First-principles study of nickel reactivity under two-dimensional cover: Ni2 C formation at rotated graphene/Ni(111) interface" in Physical Review Materials, 5, no. 1 (2021):014003,
https://doi.org/10.1103/PhysRevMaterials.5.014003 . .

TY  - CONF
AU  - Stavrić, Srđan
AU  - Šoškić, B. N.
AU  - Šljivančanin, Željko
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10898
AB  - The introduction of point defects offers manifold possibilities to induce a magnetic response in intrinsically non-magnetic two-dimensional (2D) materials. In graphene, the presence of vacancies leads to notable paramagnetism, yet no long-range magnetic ordering has been experimentally achieved due to low defect concentration. Another approach to induce magnetism in 2D crystals is to adsorb magnetic transition metal atoms. However, when deposited on graphene, transition metal atoms tend to cluster due to strong metal-metal attraction [1], making it challenging to control the shape and size of obtained nanostructures and their magnetic properties. One route to suppress the unfavorable clusterization is to attach the metal adatoms to the vacancies, acting as the trapping sites. The embedded metal atoms might carry out non-zero magnetic moments, yet the random distribution of these defects across the 2D sheet makes the long-range ordering of localized magnetic moments highly unlikely. In this lecture, we show that with the use of borophene, a 2D boron crystal recently synthesized on Ag(111) substrate, these obstacles can be overcome [2]. Borophene, unlike graphene, possesses a regular pattern of hexagonal holes which can be used as a template to grow 2D magnets when filled with Fe atoms. We show that the obtained Fe nanostructures are composed of close-packed Fe wires featuring ferromagnetism within the chain and the inter-chain antiferromagnetic coupling. Using density functional theory calculations, we extract the exchange and single-ion anisotropy constants needed to describe the magnetic properties of these systems with the classical Ising and Heisenberg models. The corresponding Monte Carlo simulations revealed finite temperature magnetic ordering, with the estimates of critical temperatures of 105 K and 30 K derived from the anisotropic Heisenberg model, for the Fe-based magnets grown above and under the borophene.
PB  - Belgrade : Institute of Physics Belgrade
C3  - PHOTONICA2021 : 8th International School and Conference on Photonics and HEMMAGINERO workshop : Abstracts of Tutorial, Keynote, Invited Lectures, Progress Reports and Contributed Papers; August 23-27, 2021; Belgrade
T1  - How to create 2D magnets from non-magnetic 2D crystals
SP  - 48
UR  - https://hdl.handle.net/21.15107/rcub_vinar_10898
ER  - 

@conference{
author = "Stavrić, Srđan and Šoškić, B. N. and Šljivančanin, Željko",
year = "2021",
abstract = "The introduction of point defects offers manifold possibilities to induce a magnetic response in intrinsically non-magnetic two-dimensional (2D) materials. In graphene, the presence of vacancies leads to notable paramagnetism, yet no long-range magnetic ordering has been experimentally achieved due to low defect concentration. Another approach to induce magnetism in 2D crystals is to adsorb magnetic transition metal atoms. However, when deposited on graphene, transition metal atoms tend to cluster due to strong metal-metal attraction [1], making it challenging to control the shape and size of obtained nanostructures and their magnetic properties. One route to suppress the unfavorable clusterization is to attach the metal adatoms to the vacancies, acting as the trapping sites. The embedded metal atoms might carry out non-zero magnetic moments, yet the random distribution of these defects across the 2D sheet makes the long-range ordering of localized magnetic moments highly unlikely. In this lecture, we show that with the use of borophene, a 2D boron crystal recently synthesized on Ag(111) substrate, these obstacles can be overcome [2]. Borophene, unlike graphene, possesses a regular pattern of hexagonal holes which can be used as a template to grow 2D magnets when filled with Fe atoms. We show that the obtained Fe nanostructures are composed of close-packed Fe wires featuring ferromagnetism within the chain and the inter-chain antiferromagnetic coupling. Using density functional theory calculations, we extract the exchange and single-ion anisotropy constants needed to describe the magnetic properties of these systems with the classical Ising and Heisenberg models. The corresponding Monte Carlo simulations revealed finite temperature magnetic ordering, with the estimates of critical temperatures of 105 K and 30 K derived from the anisotropic Heisenberg model, for the Fe-based magnets grown above and under the borophene.",
publisher = "Belgrade : Institute of Physics Belgrade",
journal = "PHOTONICA2021 : 8th International School and Conference on Photonics and HEMMAGINERO workshop : Abstracts of Tutorial, Keynote, Invited Lectures, Progress Reports and Contributed Papers; August 23-27, 2021; Belgrade",
title = "How to create 2D magnets from non-magnetic 2D crystals",
pages = "48",
url = "https://hdl.handle.net/21.15107/rcub_vinar_10898"
}

Stavrić, S., Šoškić, B. N.,& Šljivančanin, Ž.. (2021). How to create 2D magnets from non-magnetic 2D crystals. in PHOTONICA2021 : 8th International School and Conference on Photonics and HEMMAGINERO workshop : Abstracts of Tutorial, Keynote, Invited Lectures, Progress Reports and Contributed Papers; August 23-27, 2021; Belgrade
Belgrade : Institute of Physics Belgrade., 48.
https://hdl.handle.net/21.15107/rcub_vinar_10898

Stavrić S, Šoškić BN, Šljivančanin Ž. How to create 2D magnets from non-magnetic 2D crystals. in PHOTONICA2021 : 8th International School and Conference on Photonics and HEMMAGINERO workshop : Abstracts of Tutorial, Keynote, Invited Lectures, Progress Reports and Contributed Papers; August 23-27, 2021; Belgrade. 2021;:48.
https://hdl.handle.net/21.15107/rcub_vinar_10898 .

Stavrić, Srđan, Šoškić, B. N., Šljivančanin, Željko, "How to create 2D magnets from non-magnetic 2D crystals" in PHOTONICA2021 : 8th International School and Conference on Photonics and HEMMAGINERO workshop : Abstracts of Tutorial, Keynote, Invited Lectures, Progress Reports and Contributed Papers; August 23-27, 2021; Belgrade (2021):48,
https://hdl.handle.net/21.15107/rcub_vinar_10898 .

TY  - JOUR
AU  - Šoškić, Božidar N.
AU  - Stavrić, Srđan
AU  - Šljivančanin, Željko
PY  - 2021
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11088
AB  - Two-dimensional (2D) magnetic crystals are ideal platforms for the employment of simple physical models in the exploration of magnetism in a 2D limit. Instead of examining 2D van der Waals materials, the focus of our study is on adatoms that carry intrinsic magnetic moments and are assembled into 2D arrays at a suitable surface. We applied density functional theory (DFT) to investigate Fe nanostructures formed on a borophene sheet deposited at Ag(111) surface and identified stable Fe-based 2D magnets formed either on top of the borophene or at the interface between the borophene and Ag(111) surface. The structures are composed of close-packed Fe wires, featuring ferromagnetism within the chain and the interchain antiferromagnetic coupling. Exchange- and single-ion anisotropy constants extracted from DFT calculations are used to describe these systems with the classical Ising and Heisenberg models. The corresponding Monte Carlo simulations revealed finite temperature magnetic ordering, with the estimates of critical temperatures of 105 and 30 K derived from the anisotropic Heisenberg model, for the Fe-based magnets grown above and under borophene, respectively.
T2  - Physical Review Materials
T1  - Ab-initio and Monte Carlo study of Fe-based two-dimensional magnets at borophene supported by Ag(111) surface
VL  - 5
IS  - 7
SP  - 074001
DO  - 10.1103/PhysRevMaterials.5.074001
ER  - 

@article{
author = "Šoškić, Božidar N. and Stavrić, Srđan and Šljivančanin, Željko",
year = "2021",
abstract = "Two-dimensional (2D) magnetic crystals are ideal platforms for the employment of simple physical models in the exploration of magnetism in a 2D limit. Instead of examining 2D van der Waals materials, the focus of our study is on adatoms that carry intrinsic magnetic moments and are assembled into 2D arrays at a suitable surface. We applied density functional theory (DFT) to investigate Fe nanostructures formed on a borophene sheet deposited at Ag(111) surface and identified stable Fe-based 2D magnets formed either on top of the borophene or at the interface between the borophene and Ag(111) surface. The structures are composed of close-packed Fe wires, featuring ferromagnetism within the chain and the interchain antiferromagnetic coupling. Exchange- and single-ion anisotropy constants extracted from DFT calculations are used to describe these systems with the classical Ising and Heisenberg models. The corresponding Monte Carlo simulations revealed finite temperature magnetic ordering, with the estimates of critical temperatures of 105 and 30 K derived from the anisotropic Heisenberg model, for the Fe-based magnets grown above and under borophene, respectively.",
journal = "Physical Review Materials",
title = "Ab-initio and Monte Carlo study of Fe-based two-dimensional magnets at borophene supported by Ag(111) surface",
volume = "5",
number = "7",
pages = "074001",
doi = "10.1103/PhysRevMaterials.5.074001"
}

Šoškić, B. N., Stavrić, S.,& Šljivančanin, Ž.. (2021). Ab-initio and Monte Carlo study of Fe-based two-dimensional magnets at borophene supported by Ag(111) surface. in Physical Review Materials, 5(7), 074001.
https://doi.org/10.1103/PhysRevMaterials.5.074001

Šoškić BN, Stavrić S, Šljivančanin Ž. Ab-initio and Monte Carlo study of Fe-based two-dimensional magnets at borophene supported by Ag(111) surface. in Physical Review Materials. 2021;5(7):074001.
doi:10.1103/PhysRevMaterials.5.074001 .

Šoškić, Božidar N., Stavrić, Srđan, Šljivančanin, Željko, "Ab-initio and Monte Carlo study of Fe-based two-dimensional magnets at borophene supported by Ag(111) surface" in Physical Review Materials, 5, no. 7 (2021):074001,
https://doi.org/10.1103/PhysRevMaterials.5.074001 . .

TY  - CONF
AU  - Stavrić, Srđan
AU  - Popović, Zoran S.
AU  - Šljivančanin, Željko
PY  - 2019
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/11889
AB  - Layered structure and peculiar electronic properties of two-dimensional (2D) materials foster the concept of utilizing them as main components of lithium-ion batteries. Understanding basic physical mechanisms governing the interaction of Li with 2D crystals is of key importance to succeeding in a rational design of cathode and anode materials with superior functionalities. Study of Li atoms adsorbed at graphene clearly shows that Li atoms, featuring a long-ranged electrostatic repulsion, are individually dispersed across the surface [1]. This was a motivation for the further investigation of Li adsorption at a number of different 2D materials. In this study density functional theory was applied to reveal the microscopic picture of Li interaction with 15 2D crystals, including several transition metal oxides and dichalcogenides, carbides of Group XIV elements, functionalized graphene, silicene, and germanene, as well as black phosphorus and Ti2C MXene [2]. We found that the general trend in Li binding can be estimated from positions of conduction band minima of 2D materials since the energy of the lowest empty electronic states shows a nice correlation with the strength of Li adsorption. At variance to the majority of studied surfaces where the electron transferred from Li is spread across the substrate, in monolayers of carbides of Group XIV elements the interaction with Li and the charge transfer are well localized. This gives rise to their capability to accommodate Li structures with a nearly constant binding energy of alkaline atoms over Li coverages ranging from well-separated adatoms to a full monolayer.
PB  - Belgrade : Vinča Institute of Nuclear Sciences, University of Belgrade
C3  - PHOTONICA2019 : 7th International School and Conference on Photonics & Machine Learning with Photonics Symposium : Book of abstracts
T1  - Understanding trends in lithium binding at two-dimensional materials
SP  - 184
EP  - 184
UR  - https://hdl.handle.net/21.15107/rcub_vinar_11889
ER  - 

@conference{
author = "Stavrić, Srđan and Popović, Zoran S. and Šljivančanin, Željko",
year = "2019",
abstract = "Layered structure and peculiar electronic properties of two-dimensional (2D) materials foster the concept of utilizing them as main components of lithium-ion batteries. Understanding basic physical mechanisms governing the interaction of Li with 2D crystals is of key importance to succeeding in a rational design of cathode and anode materials with superior functionalities. Study of Li atoms adsorbed at graphene clearly shows that Li atoms, featuring a long-ranged electrostatic repulsion, are individually dispersed across the surface [1]. This was a motivation for the further investigation of Li adsorption at a number of different 2D materials. In this study density functional theory was applied to reveal the microscopic picture of Li interaction with 15 2D crystals, including several transition metal oxides and dichalcogenides, carbides of Group XIV elements, functionalized graphene, silicene, and germanene, as well as black phosphorus and Ti2C MXene [2]. We found that the general trend in Li binding can be estimated from positions of conduction band minima of 2D materials since the energy of the lowest empty electronic states shows a nice correlation with the strength of Li adsorption. At variance to the majority of studied surfaces where the electron transferred from Li is spread across the substrate, in monolayers of carbides of Group XIV elements the interaction with Li and the charge transfer are well localized. This gives rise to their capability to accommodate Li structures with a nearly constant binding energy of alkaline atoms over Li coverages ranging from well-separated adatoms to a full monolayer.",
publisher = "Belgrade : Vinča Institute of Nuclear Sciences, University of Belgrade",
journal = "PHOTONICA2019 : 7th International School and Conference on Photonics & Machine Learning with Photonics Symposium : Book of abstracts",
title = "Understanding trends in lithium binding at two-dimensional materials",
pages = "184-184",
url = "https://hdl.handle.net/21.15107/rcub_vinar_11889"
}

Stavrić, S., Popović, Z. S.,& Šljivančanin, Ž.. (2019). Understanding trends in lithium binding at two-dimensional materials. in PHOTONICA2019 : 7th International School and Conference on Photonics & Machine Learning with Photonics Symposium : Book of abstracts
Belgrade : Vinča Institute of Nuclear Sciences, University of Belgrade., 184-184.
https://hdl.handle.net/21.15107/rcub_vinar_11889

Stavrić S, Popović ZS, Šljivančanin Ž. Understanding trends in lithium binding at two-dimensional materials. in PHOTONICA2019 : 7th International School and Conference on Photonics & Machine Learning with Photonics Symposium : Book of abstracts. 2019;:184-184.
https://hdl.handle.net/21.15107/rcub_vinar_11889 .

Stavrić, Srđan, Popović, Zoran S., Šljivančanin, Željko, "Understanding trends in lithium binding at two-dimensional materials" in PHOTONICA2019 : 7th International School and Conference on Photonics & Machine Learning with Photonics Symposium : Book of abstracts (2019):184-184,
https://hdl.handle.net/21.15107/rcub_vinar_11889 .

TY  - JOUR
AU  - Singha, Aparajita
AU  - Donati, Fabio
AU  - Natterer, Fabian Donat
AU  - Wäckerlin, Christian
AU  - Stavrić, Srđan
AU  - Popović, Zoran S.
AU  - Šljivančanin, Željko
AU  - Patthey, Francois
AU  - Brune, Harald
PY  - 2018
UR  - https://link.aps.org/doi/10.1103/PhysRevLett.121.257202
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8012
AB  - We report on the magnetic properties of HoCo dimers as a model system for the smallest intermetallic compound of a lanthanide and a transition metal atom. The dimers are adsorbed on ultrathin MgO(100) films grown on Ag(100). New for 4f elements, we detect inelastic excitations with scanning tunneling spectroscopy and prove their magnetic origin by applying an external magnetic field. In combination with density functional theory and spin Hamiltonian analysis, we determine the magnetic level distribution, as well as sign and magnitude of the exchange interaction between the two atoms. In contrast to typical 4f-3d bulk compounds, we find ferromagnetic coupling in the dimer. © 2018 American Physical Society.
T2  - Physical Review Letters
T1  - Spin Excitations in a 4f−3d Heterodimer on MgO
VL  - 121
IS  - 25
SP  - 257202
DO  - 10.1103/PhysRevLett.121.257202
ER  - 

@article{
author = "Singha, Aparajita and Donati, Fabio and Natterer, Fabian Donat and Wäckerlin, Christian and Stavrić, Srđan and Popović, Zoran S. and Šljivančanin, Željko and Patthey, Francois and Brune, Harald",
year = "2018",
abstract = "We report on the magnetic properties of HoCo dimers as a model system for the smallest intermetallic compound of a lanthanide and a transition metal atom. The dimers are adsorbed on ultrathin MgO(100) films grown on Ag(100). New for 4f elements, we detect inelastic excitations with scanning tunneling spectroscopy and prove their magnetic origin by applying an external magnetic field. In combination with density functional theory and spin Hamiltonian analysis, we determine the magnetic level distribution, as well as sign and magnitude of the exchange interaction between the two atoms. In contrast to typical 4f-3d bulk compounds, we find ferromagnetic coupling in the dimer. © 2018 American Physical Society.",
journal = "Physical Review Letters",
title = "Spin Excitations in a 4f−3d Heterodimer on MgO",
volume = "121",
number = "25",
pages = "257202",
doi = "10.1103/PhysRevLett.121.257202"
}

Singha, A., Donati, F., Natterer, F. D., Wäckerlin, C., Stavrić, S., Popović, Z. S., Šljivančanin, Ž., Patthey, F.,& Brune, H.. (2018). Spin Excitations in a 4f−3d Heterodimer on MgO. in Physical Review Letters, 121(25), 257202.
https://doi.org/10.1103/PhysRevLett.121.257202

Singha A, Donati F, Natterer FD, Wäckerlin C, Stavrić S, Popović ZS, Šljivančanin Ž, Patthey F, Brune H. Spin Excitations in a 4f−3d Heterodimer on MgO. in Physical Review Letters. 2018;121(25):257202.
doi:10.1103/PhysRevLett.121.257202 .

Singha, Aparajita, Donati, Fabio, Natterer, Fabian Donat, Wäckerlin, Christian, Stavrić, Srđan, Popović, Zoran S., Šljivančanin, Željko, Patthey, Francois, Brune, Harald, "Spin Excitations in a 4f−3d Heterodimer on MgO" in Physical Review Letters, 121, no. 25 (2018):257202,
https://doi.org/10.1103/PhysRevLett.121.257202 . .

TY  - JOUR
AU  - Stavrić, Srđan
AU  - Popović, Zoran S.
AU  - Šljivančanin, Željko
PY  - 2018
UR  - https://link.aps.org/doi/10.1103/PhysRevMaterials.2.114007
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/8046
AB  - Layered structure and peculiar electronic properties of two-dimensional (2D) materials foster the concept of utilizing them as main components of lithium-ion batteries. Understanding basic physical mechanisms governing the interaction of Li with 2D crystals is of key importance to succeeding in a rational design of cathode and anode materials with superior functionalities. In this study density functional theory was applied to reveal the microscopic picture of Li interaction with 15 2D crystals, including several transition metal oxides and dichalcogenides, carbides of Group XIV elements, functionalized graphene, silicene, and germanene, as well as black phosphorus and Ti2C MXene. We found that the general trend in Li binding can be estimated from positions of conduction band minima of 2D materials, since the energy of the lowest empty electronic states shows a nice correlation with the strength of Li adsorption. At variance to the majority of studied surfaces where the electron transferred from Li is spread across the substrate, in monolayers of carbides of Group XIV elements the interaction with Li and the charge transfer are well localized. This gives rise to their capability to accommodate Li structures with a nearly constant binding energy of alkaline atoms over Li coverages ranging from well-separated adatoms to a full monolayer. © 2018 American Physical Society.
T2  - Physical Review Materials
T1  - Understanding trends in lithium binding at two-dimensional materials
VL  - 2
IS  - 11
SP  - 114007
DO  - 10.1103/PhysRevMaterials.2.114007
ER  - 

@article{
author = "Stavrić, Srđan and Popović, Zoran S. and Šljivančanin, Željko",
year = "2018",
abstract = "Layered structure and peculiar electronic properties of two-dimensional (2D) materials foster the concept of utilizing them as main components of lithium-ion batteries. Understanding basic physical mechanisms governing the interaction of Li with 2D crystals is of key importance to succeeding in a rational design of cathode and anode materials with superior functionalities. In this study density functional theory was applied to reveal the microscopic picture of Li interaction with 15 2D crystals, including several transition metal oxides and dichalcogenides, carbides of Group XIV elements, functionalized graphene, silicene, and germanene, as well as black phosphorus and Ti2C MXene. We found that the general trend in Li binding can be estimated from positions of conduction band minima of 2D materials, since the energy of the lowest empty electronic states shows a nice correlation with the strength of Li adsorption. At variance to the majority of studied surfaces where the electron transferred from Li is spread across the substrate, in monolayers of carbides of Group XIV elements the interaction with Li and the charge transfer are well localized. This gives rise to their capability to accommodate Li structures with a nearly constant binding energy of alkaline atoms over Li coverages ranging from well-separated adatoms to a full monolayer. © 2018 American Physical Society.",
journal = "Physical Review Materials",
title = "Understanding trends in lithium binding at two-dimensional materials",
volume = "2",
number = "11",
pages = "114007",
doi = "10.1103/PhysRevMaterials.2.114007"
}

Stavrić, S., Popović, Z. S.,& Šljivančanin, Ž.. (2018). Understanding trends in lithium binding at two-dimensional materials. in Physical Review Materials, 2(11), 114007.
https://doi.org/10.1103/PhysRevMaterials.2.114007

Stavrić S, Popović ZS, Šljivančanin Ž. Understanding trends in lithium binding at two-dimensional materials. in Physical Review Materials. 2018;2(11):114007.
doi:10.1103/PhysRevMaterials.2.114007 .

Stavrić, Srđan, Popović, Zoran S., Šljivančanin, Željko, "Understanding trends in lithium binding at two-dimensional materials" in Physical Review Materials, 2, no. 11 (2018):114007,
https://doi.org/10.1103/PhysRevMaterials.2.114007 . .

TY  - CONF
AU  - Stavrić, Srđan
AU  - Belić, Milivoj R.
AU  - Šljivančanin, Željko
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10949
AB  - Graphene (G) and other recently synthesized two-dimensional (2D) crystals show diverse structural and electronic properties. A novel class of materials with unique features can be manufactured by assembling individual layers of these 2D materials. For example G/MoS2 heterostructures combine excellent conductivity and transparency of G with high optical activity in visible light of MoS2. Understanding interaction of 2D materials and their heterostructures with metals is of critical importance for their technological applications. Employing density functional theory we studied microscopic mechanisms governing initial stages of growth of three selected metals (Li, Ti and Ca) on G.Tendency towards planar or 3D growth is rationalized based on description of the interaction between metal adatoms, as well as adsorption geometries of their trimers and tetramers. In addition to this we investigated G/MoS2 intercalation with Au and found strong tendency of gold intercalants to form planar structures.
PB  - Belgrade : Institute of Physics Belgrade
C3  - PHOTONICA2017 : 6th International School and Conference on Photonics and COST actions: MP1406 and MP1402 : Program and the book of abstracts
T1  - Planar versus three-dimensional growth of metal nanostructures at 2D heterostructures
SP  - 211
UR  - https://hdl.handle.net/21.15107/rcub_vinar_10949
ER  - 

@conference{
author = "Stavrić, Srđan and Belić, Milivoj R. and Šljivančanin, Željko",
year = "2017",
abstract = "Graphene (G) and other recently synthesized two-dimensional (2D) crystals show diverse structural and electronic properties. A novel class of materials with unique features can be manufactured by assembling individual layers of these 2D materials. For example G/MoS2 heterostructures combine excellent conductivity and transparency of G with high optical activity in visible light of MoS2. Understanding interaction of 2D materials and their heterostructures with metals is of critical importance for their technological applications. Employing density functional theory we studied microscopic mechanisms governing initial stages of growth of three selected metals (Li, Ti and Ca) on G.Tendency towards planar or 3D growth is rationalized based on description of the interaction between metal adatoms, as well as adsorption geometries of their trimers and tetramers. In addition to this we investigated G/MoS2 intercalation with Au and found strong tendency of gold intercalants to form planar structures.",
publisher = "Belgrade : Institute of Physics Belgrade",
journal = "PHOTONICA2017 : 6th International School and Conference on Photonics and COST actions: MP1406 and MP1402 : Program and the book of abstracts",
title = "Planar versus three-dimensional growth of metal nanostructures at 2D heterostructures",
pages = "211",
url = "https://hdl.handle.net/21.15107/rcub_vinar_10949"
}

Stavrić, S., Belić, M. R.,& Šljivančanin, Ž.. (2017). Planar versus three-dimensional growth of metal nanostructures at 2D heterostructures. in PHOTONICA2017 : 6th International School and Conference on Photonics and COST actions: MP1406 and MP1402 : Program and the book of abstracts
Belgrade : Institute of Physics Belgrade., 211.
https://hdl.handle.net/21.15107/rcub_vinar_10949

Stavrić S, Belić MR, Šljivančanin Ž. Planar versus three-dimensional growth of metal nanostructures at 2D heterostructures. in PHOTONICA2017 : 6th International School and Conference on Photonics and COST actions: MP1406 and MP1402 : Program and the book of abstracts. 2017;:211.
https://hdl.handle.net/21.15107/rcub_vinar_10949 .

Stavrić, Srđan, Belić, Milivoj R., Šljivančanin, Željko, "Planar versus three-dimensional growth of metal nanostructures at 2D heterostructures" in PHOTONICA2017 : 6th International School and Conference on Photonics and COST actions: MP1406 and MP1402 : Program and the book of abstracts (2017):211,
https://hdl.handle.net/21.15107/rcub_vinar_10949 .

TY  - JOUR
AU  - Fernandes, Edgar
AU  - Donati, Fabio
AU  - Patthey, Francois
AU  - Stavrić, Srđan
AU  - Šljivančanin, Željko
AU  - Brune, Harald
PY  - 2017
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/1645
AB  - We use Ca doping during growth of one-and two-monolayer-thick MgO films on Ag(100) to identify the adsorption sites of individual adatoms with scanning tunneling microscopy. For this we combine atomic resolution images of the bare MgO layer with images of the adsorbates and the substitutional Ca atoms taken at larger tip-sample distance. For Ho atoms, the adsorption sites depend on MgO thickness. On the monolayer, they are distributed on the O and bridge sites according to the abundance of those sites, 1/3 and 2/3, respectively. On the MgO bilayer, Ho atoms populate almost exclusively the O site. A third species adsorbed on Mg is predicted by density functional theory and can be created by atomic manipulation. Au atoms adsorb on the bridge sites for both MgO thicknesses, while Co and Fe atoms prefer the O sites, again for both thicknesses.
T2  - Physical Review B: Condensed Matter and Materials Physics
T1  - Adsorption sites of individual metal atoms on ultrathin MgO(100) films
VL  - 96
IS  - 4
DO  - 10.1103/PhysRevB.96.045419
ER  - 

@article{
author = "Fernandes, Edgar and Donati, Fabio and Patthey, Francois and Stavrić, Srđan and Šljivančanin, Željko and Brune, Harald",
year = "2017",
abstract = "We use Ca doping during growth of one-and two-monolayer-thick MgO films on Ag(100) to identify the adsorption sites of individual adatoms with scanning tunneling microscopy. For this we combine atomic resolution images of the bare MgO layer with images of the adsorbates and the substitutional Ca atoms taken at larger tip-sample distance. For Ho atoms, the adsorption sites depend on MgO thickness. On the monolayer, they are distributed on the O and bridge sites according to the abundance of those sites, 1/3 and 2/3, respectively. On the MgO bilayer, Ho atoms populate almost exclusively the O site. A third species adsorbed on Mg is predicted by density functional theory and can be created by atomic manipulation. Au atoms adsorb on the bridge sites for both MgO thicknesses, while Co and Fe atoms prefer the O sites, again for both thicknesses.",
journal = "Physical Review B: Condensed Matter and Materials Physics",
title = "Adsorption sites of individual metal atoms on ultrathin MgO(100) films",
volume = "96",
number = "4",
doi = "10.1103/PhysRevB.96.045419"
}

Fernandes, E., Donati, F., Patthey, F., Stavrić, S., Šljivančanin, Ž.,& Brune, H.. (2017). Adsorption sites of individual metal atoms on ultrathin MgO(100) films. in Physical Review B: Condensed Matter and Materials Physics, 96(4).
https://doi.org/10.1103/PhysRevB.96.045419

Fernandes E, Donati F, Patthey F, Stavrić S, Šljivančanin Ž, Brune H. Adsorption sites of individual metal atoms on ultrathin MgO(100) films. in Physical Review B: Condensed Matter and Materials Physics. 2017;96(4).
doi:10.1103/PhysRevB.96.045419 .

Fernandes, Edgar, Donati, Fabio, Patthey, Francois, Stavrić, Srđan, Šljivančanin, Željko, Brune, Harald, "Adsorption sites of individual metal atoms on ultrathin MgO(100) films" in Physical Review B: Condensed Matter and Materials Physics, 96, no. 4 (2017),
https://doi.org/10.1103/PhysRevB.96.045419 . .

TY  - JOUR
AU  - Stavrić, Srđan
AU  - Belić, Milivoj R.
AU  - Šljivančanin, Željko
PY  - 2016
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/843
AB  - Employing density functional theory we studied microscopic mechanisms governing initial stages of growth of three selected metals (Li, Ti and Ca) on graphene. Tendency towards planar or three-dimensional (3D) growth is rationalized based on atomic-scale description of the interaction between metal adatoms, as well as adsorption geometries of their trimers and tetramers. Li atoms, featuring a long-ranged electrostatic repulsion, are individually dispersed across the surface, in a sharp contrast with atoms of transition metal Ti which gather into densely-packed 3D clusters due to a strong short-ranged metal-metal attraction. Modest attractive interaction between Ca adsorbates enable formation of monoatomic films with the local coverage of 1/6 monolayer. Since Ca adsorbates induce nearly three-fold increase in adhesion energy between graphene layers, Ca intercalated carbon sheet falls into category of functionalized materials with promising properties for engineering high quality contacts in vertical heterostructures of two-dimensional materials. (C) 2015 Elsevier Ltd. All rights reserved.
T2  - Carbon
T1  - Planar versus three-dimensional growth of metal nanostructures at graphene
VL  - 96
SP  - 216
EP  - 222
DO  - 10.1016/j.carbon.2015.09.062
ER  - 

@article{
author = "Stavrić, Srđan and Belić, Milivoj R. and Šljivančanin, Željko",
year = "2016",
abstract = "Employing density functional theory we studied microscopic mechanisms governing initial stages of growth of three selected metals (Li, Ti and Ca) on graphene. Tendency towards planar or three-dimensional (3D) growth is rationalized based on atomic-scale description of the interaction between metal adatoms, as well as adsorption geometries of their trimers and tetramers. Li atoms, featuring a long-ranged electrostatic repulsion, are individually dispersed across the surface, in a sharp contrast with atoms of transition metal Ti which gather into densely-packed 3D clusters due to a strong short-ranged metal-metal attraction. Modest attractive interaction between Ca adsorbates enable formation of monoatomic films with the local coverage of 1/6 monolayer. Since Ca adsorbates induce nearly three-fold increase in adhesion energy between graphene layers, Ca intercalated carbon sheet falls into category of functionalized materials with promising properties for engineering high quality contacts in vertical heterostructures of two-dimensional materials. (C) 2015 Elsevier Ltd. All rights reserved.",
journal = "Carbon",
title = "Planar versus three-dimensional growth of metal nanostructures at graphene",
volume = "96",
pages = "216-222",
doi = "10.1016/j.carbon.2015.09.062"
}

Stavrić, S., Belić, M. R.,& Šljivančanin, Ž.. (2016). Planar versus three-dimensional growth of metal nanostructures at graphene. in Carbon, 96, 216-222.
https://doi.org/10.1016/j.carbon.2015.09.062

Stavrić S, Belić MR, Šljivančanin Ž. Planar versus three-dimensional growth of metal nanostructures at graphene. in Carbon. 2016;96:216-222.
doi:10.1016/j.carbon.2015.09.062 .

Stavrić, Srđan, Belić, Milivoj R., Šljivančanin, Željko, "Planar versus three-dimensional growth of metal nanostructures at graphene" in Carbon, 96 (2016):216-222,
https://doi.org/10.1016/j.carbon.2015.09.062 . .