critical dispersion distance of silicon nanoparticles intercalated between graphene layers临界分散石墨烯层之间的硅纳米粒子间的距离.pdfVIP

Hindawi Publishing Corporation Journal of Nanomaterials Volume 2012, Article ID 375289, 4 pages doi:10.1155/2012/375289 Research Article Critical Dispersion Distance of Silicon Nanoparticles Intercalated between Graphene Layers Shuze Zhu,1 Jason Galginaitis,1 and Teng Li1, 2 1 Department of Mechanical Engineering, University of Maryland, College Park, MD 20742, USA 2 Maryland NanoCenter, University of Maryland, College Park, MD 20742, USA Correspondence should be addressed to Teng Li, lit@ Received 16 October 2011; Accepted 25 January 2012 Academic Editor: Sulin Zhang Copyright © 2012 Shuze Zhu et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited. Nanocomposites of silicon nanoparticles (Si NPs) dispersed in between graphene layers emerge as potential anode materials of high-charge capacity for lithium-ion batteries. A key design requirement is to keep Si NPs dispersed without aggregation. Experimental design of the Si NP dispersion in graphene layers has remained largely empirical. Through extensive molecular dynamics simulations, we determine a critical NP dispersion distance as the function of NP size, below which Si NPs in between graphene layers evolve to bundle together. These results offer crucial and quantitative guidance for designing NP-graphene nanocomposite anode materials with high charge capacity. Rechargeable lithium-ion batteries with high energy capacity hand, the charging capacity of the nanocomposite anode and long cycle life are in great demand for applications such material scales with the total volume of the Si NPs that can as portable