Study of Defective Few-Layer Graphene Intercalated with Lithium
Keywords:
graphene, computer modeling, carbon nanostructures, defectsAbstract
This paper presents results of computer modeling and quantum mechanical calculations of nanoscaled few-layer graphene (FLG) cells, containing lithium. The results obtained show the essential improvement of physical properties and mechanical dimension stability, in particular, the stiffness of these nanostructures by so called bridge-like defects. It can be supposed, that preliminary radiation modification of FLG nano-cells with formation of such structural defects might become a key technology by production Li-based energy sources and electrical batteries.
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2 K. Persson, V.A. Sethuraman, L.J. Hardwick, Y.Hinuma, J. Phys. Chem. Lett., 1(8), 1176-1180, (2010).
3 B. Orvananos, T.R. Ferguson, H.C. Yu, M.Z. Bazant, and K.Thornton, Journal of the Electrochemical. Society, 161 (4), A535, (2014).
4 G. Kucinskis, G. Bajars, J.Kleperis, Journal of Power Sources, 240, 66, (2013).
5 K. Zhao, M. Pharr, Sh. Cai, J.J. Vlassak, and Zh.Suo, Journal of American Ceramic Society, 94, S226-S235, (2011).
6 Y.H. Hu, X.H. Zhao and Z.G. Suo, J.Mater. Res., 25 (6), 1007-1010, (2010).
7 Y. Qi, L.G. Hector, Jr,C. James, and K.J. Kim, Journal of the Electrochemical Society, 161 (11), F3010, (2014).
8 B. Delley, The Journal of Chemical Physics, 92, 508, (1990).
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10 S.H. Vosko, L. Wilk, and M. Nusair, Canadian Journal of Physics, 58, 1200-1211, (1980).
11 A.M. Ilyin, R.R. Nemkaeva, V.V. Kudryashov, Journal of Material Science & Engineering, B3(3), 161, (2013).
12 A.M. Ilyin, G.W. Beall & I.A. Tsyganov., Journal of Computational Theoretical Nanoscience, 7, 2004, (2010).
13 A.M. Ilyin, Computer Simulation of Radiation Defects in Graphene and Relative Structures. In: “Graphene Simulation”, Gong, J.R.;Ed.;InTech: Rijeka, Croatia, 39, (2011).
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Published
2016-09-15
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Section
Condensed Matter Physics and Materials Science Problems. NanoScience
