Planar versus three-dimensional growth of metal nanostructures at graphene
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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.
Source:Carbon, 2016, 96, 216-222
- Electronic, transport and optical properties of nanostructured materials (RS-171033)
- Modeling and Numerical Simulations of Complex Many-Body Systems (RS-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]