Planar versus three-dimensional growth of metal nanostructures at graphene
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2016
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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.
Izvor:
Carbon, 2016, 96, 216-222Finansiranje / projekti:
- Elektronske, transportne i optičke osobine nanofaznih materijala (RS-MESTD-Basic Research (BR or ON)-171033)
- Modeliranje i numeričke simulacije složenih višečestičnih sistema (RS-MESTD-Basic Research (BR or ON)-171017)
- Texas A and M University at Qatar under the Proof-of-Concept Grant, Qatar National Research Fund through the NPRP [7-665-1-125]
DOI: 10.1016/j.carbon.2015.09.062
ISSN: 0008-6223; 1873-3891
WoS: 000366078000027
Scopus: 2-s2.0-84947975757
Institucija/grupa
VinčaTY - 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 . .