国家/地区 Japan（5）
关键词
出版物
出版时间
机构 KYOTO UNIV（2） NAGOYA UNIV（2）
作者 QIAN HJ（5）

Step-edge self-assembly during graphene nucleation on a nickel surface: QM/MD simulations

NANOSCALE

WANG Y, PAGE AJ, LI HB, QIAN HJ, JIAO MG, WU ZJ, MOROKUMA K, IRLE S

Atom-by-atom simulations of graphene growth by decomposition of SiC (0001): Impact of the substrate steps

APPLIED PHYSICS LETTERS

MORITA M, NORIMATSU W, QIAN HJ, IRLE S, KUSUNOKI M

Coupled Cluster and Density Functional Theory Calculations of Atomic Hydrogen Chemisorption on Pyrene and Coronene as Model Systems for Graphene Hydrogenation

JOURNAL OF PHYSICAL CHEMISTRY A

WANG Y, QIAN HJ, MOROKUMA K, IRLE S

Template Effect in the Competition between Haeckelite and Graphene Growth on Ni(111): Quantum Chemical Molecular Dynamics Simulations

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

WANG Y, PAGE AJ, NISHIMOTO Y, QIAN HJ, MOROKUMA K, IRLE S

Quantum chemical molecular dynamics simulation of carbon nanotube-graphene fusion

MOLECULAR SIMULATION

QIAN HJ, ERES G, IRLE S