作者：

Zhen Zhang^a*, Xianqiao Wang^a & Jiaoyan Li^a

作者单位：

a Department of Mechanical and Aerospace Engineering , The George Washington University , Washington , DC , 20052 , USA

关键词：

• graphene, buckyball, nano-onion, collisions, Tersoff potential

摘要：

The phenomena of buckyball–graphene collisions were investigated by classical molecular dynamics (MD) simulation using the empirical Tersoff potential. Three cases were investigated: collisions between a buckyball and a single-layer graphene; collisions between a nano-onion (a double-layer concentric spherical nanostructure: a C₆₀ in a C₃₂₀) and a single-layer graphene; collisions between a nano-onion and a double-layer graphene. The impact velocity of the buckyball or nano-onion ranged from 4.37 km/s to 15.31 km/s. Simulation results for the buckyball–graphene collisions show that the buckyball bounces back when the impact velocity is less than 8.75 km/s, sticks to the graphene when the impact velocity is between 8.75 km/s and 12.03 km/s, and breaks when the impact velocity is greater than 12.03 km/s. Similar phenomena are observed for the other two cases. A single buckyball can never go through a single-layer graphene intact; however, the inner structure (C₆₀) of a nano-onion can penetrate through a single-layer graphene without any damage. The energy evolution during the whole simulation process was also studied.

文章全文下载地址：

http://www.tandfonline.com/doi/full/10.1080/19475411.2011.637993#.U8XcJbJ7LFg

整理源自Taylor & Francis Online

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