Aggregation behavior of partially contacted graphene sheets in six-carbon alkanes: all-atom molecular dynamics simulation.

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作者： Shenghui,Chen ^[1] ; Quanjiang,Li ^[2] ; Di,He ^[1] ; Yanli,Liu ^[1] ; Li,Wang ^[1] ; Meishan,Wang ^[3]

作者单位： School of Physics and Optoelectronic Engineering, Ludong University, Yantai, 264025, China. ^[1] School of Physics and Optoelectronic Engineering, Ludong University, Yantai, 264025, China. lqj@ldu.edu.cn. ^[2] School of Physics and Optoelectronic Engineering, Ludong University, Yantai, 264025, China. mswang@ldu.edu.cn. ^[3] School of Integrated Circuits, Ludong University, Yantai, 264025, China. mswang@ldu.edu.cn. ^[4]

关键词 Graphene aggregation Initial graphene configuration Interaction energy Molecular dynamics simulation Solvent molecule structure

DOI 10.1007/s00894-022-05164-1

PMID 35614269

发布时间 2022-05-25

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