Dependence of the thermal stability of the interface states of d metals (Cu, Pd, Ti, Ni) and Al with graphene on the character of sorption and diffusion mobility in a contact zone

A comparative analysis is performed of the results from MD modeling for the thermal evolution of isolated clusters and interface nanosystems from 300 to 4000 K during contact between clusters and island films of d metals and Al taken for comparison with monolayer and bilayer graphene. It is revealed...

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Bibliographic Details
Published in:Russian Journal of Physical Chemistry A 2015-03, Vol.89 (3), p.531-546
Main Authors: Polukhin, V. A., Kurbanova, E. D.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
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Physical Chemistry
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Summary:A comparative analysis is performed of the results from MD modeling for the thermal evolution of isolated clusters and interface nanosystems from 300 to 4000 K during contact between clusters and island films of d metals and Al taken for comparison with monolayer and bilayer graphene. It is revealed to what degree (in contrast with isolated clusters) the cohesion energy of contact metal-graphene layers, the initial type of their packing (one- or two-sided coating of graphene with metal films), electron band structure, and transfer properties determine the formation of the thermally stable atomic structure of interface systems.
ISSN:0036-0244
1531-863X
DOI:10.1134/S0036024415030243