Computer simulation of thin nickel films on single-layer graphene / Galashev A.E., Polukhin V.A. // Physics of the Solid State. - 2013. - V. 55, l. 11. - P. 2368-2373.

ISSN:
10637834
Type:
Article
Abstract:
The energy, mechanical, and transport properties of nickel films on a single-layer graphene sheet in the temperature range 300 K ≤ T ≤ 3300 K have been investigated using the molecular dynamics method. The stresses generated in the plane of the metallic film are significantly enhanced upon deposition of another nickel film on the reverse side of the graphene sheet. In this case, the self-diffusion coefficient in the film plane above 1800 K, in contrast, decreases. An appreciable temperature elongation per unit length of the film also occurs above 1800 K and dominates in the "zigzag" direction of the graphene sheet. The vibrational spectra of the nickel films on single-layer graphene for horizontal and vertical displacements of the Ni atoms have very different shapes. © 2013 Pleiades Publishing, Ltd.
Author keywords:
Index keywords:
нет данных
DOI:
10.1134/S1063783413110085
Смотреть в Scopus:
https://www.scopus.com/inward/record.uri?eid=2-s2.0-84887307822&doi=10.1134%2fS1063783413110085&partnerID=40&md5=dfbfed06e3cf36803945a52128cc2f26
Соавторы в МНС:
Другие поля
Поле Значение
Link https://www.scopus.com/inward/record.uri?eid=2-s2.0-84887307822&doi=10.1134%2fS1063783413110085&partnerID=40&md5=dfbfed06e3cf36803945a52128cc2f26
Affiliations Institute of Industrial Ecology, Ural Branch of the Russian Academy of Sciences, ul. Sofii Kovalevskoi 20, Yekaterinburg, 620219, Russian Federation; Institute of Material Studies and Metallurgy, Ural Federal University named after the First President of Russia B. N. Yeltsin, ul. Mira 19, Yekaterinburg, 620002, Russian Federation
References Li, X.S., Cai, W., An, J., Kim, S., Nah, J., Yang, D., Piner, R., Ruoff, R.S., (2009) Science (Washington), 324, p. 1312; Kim, K.S., Zhao, Y., Jang, H., Lee, S.Y., Kim, J.M., Kim, K.S., Ahn, J.H., Hong, B.H., (2009) Nature (London), 457, p. 706; Wintterlin, J., Bocquet, M.L., (2009) Surf. Sci., 603, p. 1841; Moors, M., Amara, H., de Bocarme, T.V., Bichara, C., Ducastelle, F., (2009) ACS Nano, 3, p. 511; Eizenberg, M., Blakely, J.M., (1979) Surf. Sci., 82, p. 228; Portnoi, V.K., Leonov, A.V., Mudretsova, S.N., Fedotov, S.A., (2010) Phys. Met. Metallogr., 109 (2), p. 153; Kwak, J., Chu, J.H., Choi, J.-K., Park, S.-D., Go, H., Kim, S.Y., Park, K., Kwon, S.-Y., (2012) Nat. Commun., 3, p. 645; Tersoff, J., (1988) Phys. Rev. B: Condens. Matter: Condens. Matter, 37, p. 6991; Tersoff, J., (1989) Phys. Rev. B: Condens. Matter: Condens. Matter, 39, p. 5566; Galashev, A.E., (2012) Russ. J. Phys. Chem. B, 6 (3), p. 441; Galashev, A.E., Rakhmanova, O.R., (2013) High Temp., 51 (1), p. 97; Stuart, S.J., Tutein, A.V., Harrison, J.A., (2000) J. Chem. Phys., 112, p. 6472; Rafii-Tabar, H., (2000) Phys. Rep., 325, p. 239; Moseler, M., Cervantes, F., Hofmann, S., Csanyi, G., Ferrari, A.C., (2010) ACS Nano, 4, p. 7587; Xu, Z., Buehler, M.J., (2010) J. Phys.: Condens. Matter, 22, p. 485301; Berendsen, H.J.C., Postma, J.P.M., van Gunsteren, W.F., DiNola, A., Haak, J.R., (1984) J. Chem. Phys., 81, p. 3684; Erkoc, S., (2000) Int. J. Mod. Phys. C, 11, p. 1013; Cagin, T., (1999) Phys. Rev. B: Condens. Matter, 59, p. 3468; Nayak, S.K., Khanna, S.N., Rao, B.K., Jena, P., (1997) J. Phys. Chem. A, 101, p. 1072; Song, H.-Y., Zha, X.-W., (2010) Commun. Theor. Phys. (Beijing, China), 54, p. 143; Shibuta, Y., Elliott, J.A., (2009) Chem. Phys. Lett., 472, p. 200; Qi, Y., Cagin, T., Johnson, W.L., Goddard III, W.A., (2001) J. Chem. Phys., 115, p. 385
Correspondence Address Galashev, A. E.; Institute of Industrial Ecology, Ural Branch of the Russian Academy of Sciences, ul. Sofii Kovalevskoi 20, Yekaterinburg, 620219, Russian Federation; email: galashev@ecko.uran.ru
Language of Original Document English
Abbreviated Source Title Phys. Solid State
Source Scopus