3 papers
cond-mat.mes-hall2012
Tight-binding calculation of growth mechanism of graphene on Ni(111) surface
Zhou Chen, Hu Jing, Tian Yuan +3
The nucleation of graphene on Ni surface, as well as on the step, is studied using a tight binding method of SCC-DFTB. The result demonstrates that the fcc configuration has the lo…
cond-mat.mes-hall2012
Molecular dynamic of selectivity and permeation based on deformed carbon nanotube
Xu Kui, Wang Qing-Song, Tan Bin +3
Extensive molecular dynamics simulations of water permeation and ion selectivity of the single-walled carbon nanotubes with the radial deformation are presented . The simulated res…
cond-mat.mes-hall2012
First-principles study on the Li storage performance of silicon clusters and graphene composite structure
Wu Jiangbin, Qian Yao, Guo Xiaojie +3
This paper focuses on the performance of the storage of Li and the stability of the hybrid structure of different lattice planes of the silicon clusters and graphene by the first-p…