国家/地区 China（20）
关键词 DENSITY FUNCTIONAL THEORY（20）
出版物 ACTA PHYSICA SINICA（3） APPLIED SURFACE SCI.（2） MOLECULAR SIMULATIO.（2）
出版时间 2013（20）
机构 HARBIN NORMA.（4） CHANGSHA UNI.（2） CHINESE ACAD.（2）
作者 WANG XZ（4） ZHAO JX（4） CAI QH（3） CHEN Y（3）
LIU YJ（3） DENG XQ（2） FAN ZQ（2） WANG CZ（2）
WANG HX（2） ZHANG ZH（2）

A density functional theory study on oxygen reduction reaction on nitrogen-doped graphene

JOURNAL OF MOLECULAR MODELING

ZHANG J, WANG ZJ, ZHU ZP

Density functional theory calculations of hydrogen adsorption on Ti-, Zn-, Zr-, Al-, and N-doped and intrinsic graphene sheets

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

ZHANG HP, LUO XG, LIN XY, LU X, LENG Y

Time-dependent quantum transport theory and its applications to graphene nanoribbons

PHYSICA STATUS SOLIDI BBASIC SOLID STATE PHYSICS

XIE H, KWOK Y, ZHANG Y, JIANG F, ZHENG X, YAN YJ, CHEN GH

An important atomic process in the CVD growth of graphene: Sinking and up-floating of carbon atom on copper surface

APPLIED SURFACE SCIENCE

LI YF, LI MC, GU TS, BAI F, YU Y, TREVOR M, YU YX

Electronic properties of graphene on the C-decorated Si(111) surface: An ab initio study

CURRENT APPLIED PHYSICS

LIU J, HE CY, WANG W, JIAO N, ZHANG CX, SUN LZ

Improvement of Surface Structure and Enhancement of Conductivity of LiFePO4 Surface by Graphene and Graphene-Like B-C-N Coating

ACTA PHYSICOCHIMICA SINICA

SUN C, YAN LM, YUE BH

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

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

Effects of hydroxyl group on H-2 dissociation on graphene: A density functional theory study

JOURNAL OF ENERGY CHEMISTRY

WANG N, WANG LK, TAN QG, PAN YX

Electronic properties of a patchwork of armchair graphene nanoribbon and triangular boron nitride nanoflake

MOLECULAR SIMULATION

XU P, YU SS, QIAO L