国家/地区 China（11）
关键词 DENSITY FUNCTIONAL .（4） GRAPHENE（3） SIDOPED GRAPHENE（2）
出版物 PHYSICAL CHEMISTRY .（3） APPLIED SURFACE SCI.（2） JOURNAL OF MOLECULA.（2）
出版时间 2013（4） 2016（3） 2012（2）
机构 HARBIN NORMAL UNIV（11）
作者 CAI QH（11）

Nitrogen electroreduction performance of transition metal dimers embedded into N-doped graphene: a theoretical prediction

JOURNAL OF MATERIALS CHEMISTRY A

LI HY, ZHAO ZF, CAI QH, YIN LC, ZHAO JX

Silicon-Doped Graphene: An Effective and Metal-Free Catalyst for NO Reduction to N2O?

ACS APPLIED MATERIALS INTERFACES

CHEN Y, LIU YJ, WANG HX, ZHAO JX, CAI QH, WANG XZ, DING YH

Divacancy-assisted transition metal adsorption on the BN graphene and its interaction with hydrogen molecules: a theoretical study

APPLIED SURFACE SCIENCE

CHEN Y, WANG HM, WANG HX, ZHAO JX, CAI QH, WANG XG, DING YH

Phosphorus-doped graphene and (8,0) carbon nanotube: Structural, electronic, magnetic properties, and chemical reactivity

APPLIED SURFACE SCIENCE

WANG HM, WANG HX, CHEN Y, LIU YJ, ZHAO JX, CAI QH, WANG XZ

Can Si-doped graphene activate or dissociate O-2 molecule?

JOURNAL OF MOLECULAR GRAPHICS MODELLING

CHEN Y, YANG XC, LIU YJ, ZHAO JX, CAI QH, WANG XZ

Chemical functionalization of graphene via aryne cycloaddition: a theoretical study

JOURNAL OF MOLECULAR MODELING

ZHAO JX, WANG HX, GAO B, WANG XG, CAI QH, WANG XZ

Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reduction

JOURNAL OF MOLECULAR MODELING

CHEN Y, GAO B, ZHAO JX, CAI QH, FU HG

CO2 electroreduction performance of a single transition metal atom supported on porphyrin-like graphene: a computational study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

WANG ZX, ZHAO JX, CAI QH

Pyrrolic-nitrogen doped graphene: a metal-free electrocatalyst with high efficiency and selectivity for the reduction of carbon dioxide to formic acid: a computational study

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

LIU YJ, ZHAO JX, CAI QH

Pyridine derivative/graphene nanoribbon composites as molecularly tunable heterogeneous electrocatalysts for the oxygen reduction reaction

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

ZHANG HY, ZHAO JX, CAI QH