国家/地区 China（9）
关键词
出版物 CARBON（2） JOURNAL OF PHYSICAL.（2）
出版时间 2016（4） 2015（3）
机构 CHINESE ACAD SCI（9）
作者 JIAO MG（9）

A first-principles study on the role of hydrogen in early stage of graphene growth during the CH4 dissociation on Cu(111) and Ni(111) surfaces

CARBON

LI K, HE CZ, JIAO MG, WANG Y, WU ZJ

Theoretical study on the interaction of pristine, defective and strained graphene with Fe-n and Ni-n (n=13, 38, 55) clusters

CHEMICAL PHYSICS LETTERS

SONG W, JIAO MG, LI K, WANG Y, WU ZJ

Dual-site oxygen reduction reaction mechanism on CoN4 and CoN2 embedded graphene: Theoretical insights

CARBON

SUN XX, LI K, YIN C, WANG Y, JIAO MG, HE F, BAI XW, TANG H, WU ZJ

Theoretical insights on the catalytic activity and mechanism for oxygen reduction reaction at Fe and P codoped graphene

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

HE F, LI K, XIE GY, WANG Y, JIAO MG, TANG H, WU ZJ

First-Principles Study on Nitrobenzene-Doped Graphene as a Metal Free Electrocatalyst for Oxygen Reduction Reaction

JOURNAL OF PHYSICAL CHEMISTRY C

JIAO MG, SONG W, LI K, WANG Y, WU ZJ

QM/MD studies on graphene growth from small islands on the Ni (111) surface

NANOSCALE

JIAO MG, SONG W, QIAN HJ, WANG Y, WU ZJ, IRLE S, MOROKUMA K

Crystalline Ni3C as both carbon source and catalyst for graphene nucleation: a QM/MD study

SCIENTIFIC REPORTS

JIAO MG, LI K, GUAN W, WANG Y, WU ZJ, PAGE A, MOROKUMA K

Quantum Chemical Molecular Dynamics Studies of Bilayer Graphene Growth on a Ni(111) Surface

JOURNAL OF PHYSICAL CHEMISTRY C

JIAO MG, LI K, WANG Y, WU ZJ

A density functional theory study on 3d metal/graphene for the removal of CO from H-2 feed gas in hydrogen fuel cells

RSC ADVANCES

LI K, LI Y, TANG H, JIAO MG, WANG Y, WU ZJ