国家/地区 Australia（4）
关键词
出版物 JOURNAL OF PHYSICAL.（2）
出版时间 2014（2）
机构 UNIV NEWCASTLE（5）
作者 IRLE S（5）

Inducing regioselective chemical reactivity in graphene with alkali metal intercalation

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

MITCHELL I, IRLE S, PAGE AJ

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

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

Insights into carbon nanotube and graphene formation mechanisms from molecular simulations: a review

REPORTS ON PROGRESS IN PHYSICS

PAGE AJ, DING F, IRLE S, MOROKUMA K