Computer analysis of the stability of copper films on graphene / Galashev A. E.,Polukhin V. A. // RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY A. - 2014. - V. 88, l. 6. - P. 995-999.

ISSN/EISSN:

0036-0244 / 1531-863X

Type:

Article

Abstract:

The stability of copper films of three types on graphene was studied by the molecular dynamics method. Films in the form of (111) and (100) planes and elongated (111) plane of the Cu crystal were considered. The initial arrangement of the Cu atoms relative to the carbon atoms was shown to considerably affect the thermal stability of the films. The most stable film was the one formed by placing Cu atoms in the nonadjacent hexagonal cells of graphene. The horizontal mobility of Cu atoms in this film decreased, while the vertical mobility increased as the temperature increased. The most significant stresses in this film were determined by the zigzag and chair orientations of the graphene sheet.

Author keywords:

graphene; copper film; stress tensor; stability MOLECULAR-DYNAMICS; NANOPARTICLES; NANOCRYSTALS; SYSTEMS; ENERGY; CARBON

DOI:

10.1134/S0036024414060120

Web of Science ID:

ISI:000335926200018

Соавторы в МНС:

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Другие поля

Поле	Значение
Month	JUN
Publisher	MAIK NAUKA/INTERPERIODICA/SPRINGER
Address	233 SPRING ST, NEW YORK, NY 10013-1578 USA
Language	English
EISSN	1531-863X
Keywords-Plus	MOLECULAR-DYNAMICS; NANOPARTICLES; NANOCRYSTALS; SYSTEMS; ENERGY; CARBON
Research-Areas	Chemistry
Web-of-Science-Categories	Chemistry, Physical
Author-Email	galashev@ecko.uran.ru
Funding-Acknowledgement	Russian Foundation for Basic Research {[}13-08-00273]
Funding-Text	This study was financially supported by the Russian Foundation for Basic Research (project no. 13-08-00273).
Number-of-Cited-References	21
Usage-Count-Last-180-days	4
Usage-Count-Since-2013	13
Journal-ISO	Russ. J. Phys. Chem. A
Doc-Delivery-Number	AH2BR