国家/地区 Japan（7）
关键词
出版物 JOURNAL OF PHYSICAL.（2）
出版时间 2012（2） 2013（2）
机构 NAGOYA UNIV（4） KYOTO UNIV（2）
作者 MOROKUMA K（7）

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

Nucleation of Graphene Precursors on Transition Metal Surfaces: Insights from Theoretical Simulations

JOURNAL OF PHYSICAL CHEMISTRY C

PAGE AJ, WANG Y, LI HB, IRLE S, MOROKUMA K

Quantum chemical investigation of epoxide and ether groups in graphene oxide and their vibrational spectra

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

PAGE AJ, CHOU CP, PHAM BQ, WITEK HA, IRLE S, MOROKUMA K

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

Sub-surface nucleation of graphene precursors near a Ni(111) step-edge

CHEMICAL COMMUNICATIONS

LI HB, PAGE AJ, WANG Y, IRLE S, MOROKUMA K

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

Spanning the "Parameter Space" of Chemical Vapor Deposition Graphene Growth with Quantum Chemical Simulations

JOURNAL OF PHYSICAL CHEMISTRY C

PAGE AJ, MITCHELL I, LI HB, WANG Y, JIAO MG, IRLE S, MOROKUMA K