国家/地区 Japan（4）
关键词
出版物 JOURNAL OF PHYSICAL CHEMISTRY C（7）
出版时间 2017（3）
机构 NAGOYA UNIV（4） UNIV NEWCAST.（2）
作者 IRLE S（7）

Graphene Nucleation from Amorphous Nickel Carbides: QM/MD Studies on the Role of Subsurface Carbon Density

JOURNAL OF PHYSICAL CHEMISTRY C

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

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

Dimerization-Initiated Preferential Formation of Coronene-Based Graphene Nanoribbons in Carbon Nanotubes

JOURNAL OF PHYSICAL CHEMISTRY C

FUJIHARA M, MIYATA Y, KITAURA R, NISHIMURA Y, CAMACHO C, IRLE S, IIZUMI Y, OKAZAKI T, SHINOHARA H

Coupled Cluster and Density Functional Studies of Atomic Fluorine Chemisorption on Coronene as Model Systems for Graphene Fluorination

JOURNAL OF PHYSICAL CHEMISTRY C

HUTAMA AS, HIJIKATA Y, IRLE S

Quantum Chemical Estimation of Acetone Physisorption on Graphene Using Combined Basis Set and Size Extrapolation Schemes

JOURNAL OF PHYSICAL CHEMISTRY C

NISHIMURA Y, TSUNEDA T, SATO T, KATOUDA M, IRLE S

QM/MD Simulations on Graphene Hydrogenation/Deuteration: CXH/D Formation Mechanism and Isotope Effect

JOURNAL OF PHYSICAL CHEMISTRY C

WANG Y, QIAN HJ, WU ZJ, 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