国家/地区 Australia（2） Japan（2）
关键词
出版物
出版时间 2014（4）
机构 UNIV NEWCAST.（2）
作者 IRLE S（4）

Graphene nucleation on a surface-molten copper catalyst: quantum chemical molecular dynamics simulations

CHEMICAL SCIENCE

LI HB, PAGE MJ, HETTICH C, ARADI B, KOHLER C, FRAUENHEIM T, IRLE S, MOROKUMA K

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

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