国家/地区 Japan（16）
关键词
出版物 JOURNAL OF PHYSICAL.（4） PHYSICAL CHEMISTRY .（2）
出版时间 2013（4） 2012（3） 2011（2） 2014（2） 2017（2）
机构 NAGOYA UNIV（12） KYOTO UNIV（2）
作者 IRLE S（16）

Growth mechanisms and selectivity for graphene or carbon nanotube formation on SiC (000(1)over-bar): A density-functional tight-binding molecular dynamics study

CHEMICAL PHYSICS LETTERS

OGASAWARA N, NORIMATSU W, IRLE S, KUSUNOKI M

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

Growth of carbon nanotubes via twisted graphene nanoribbons

NATURE COMMUNICATIONS

LIM HE, MIYATA Y, KITAURA R, NISHIMURA Y, NISHIMOTO Y, IRLE S, WARNER JH, KATAURA H, SHINOHARA H

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

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

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 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