国家/地区 China（27）
关键词 DENSITY FUNCTIONAL THEORY（27）
出版物 APPLIED SURFACE SCI.（3） CHINESE JOURNAL OF .（3） INTERNATIONAL JOURN.（3）
CHINESE JOURNAL OF .（2）
出版时间 2015（27）
机构 SHAANXI NORM.（2） TAIYUAN UNIV.（2） UNIV SCI TE.（2） ZHEJIANG UNI.（2）
作者 CAI YL（2） CHEN X（2） HE PM（2） JI V（2）
LI B（2） MA L（2） SONG JJ（2） XU KW（2）
YANG X（2） YUAN L（2） ZHANG H（2） ZHANG HJ（2）
ZHANG JM（2） ZHANG YX（2）

Atomic Mechanism of Electrocatalytically Active Co-N Complexes in Graphene Basal Plane for Oxygen Reduction Reaction

ACS APPLIED MATERIALS INTERFACES

LI F, SHU HB, HU CL, SHI ZY, LIU XT, LANG P, CHEN XS

Absorption and Fluorescence Properties of Oxidized and N-doped Graphene Quantum Dots: A Time-dependent DFT Study

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

YANG LJ, LI H, YI LY, ZHAO WH

A DFT study of electronic and magnetic properties of titanium decorating point-defective graphene

APPLIED SURFACE SCIENCE

ZHOU QX, FU ZB, WANG CY, TANG YJ, ZHANG H, YUAN L, YANG X

Geometric Structure, Electronic Property, and Hydrogen Storage Capacity of the Sc Atoms Decorated Expanded Sandwich Type Structure Graphene-Sc-graphene

ACTA CHIMICA SINICA

TANG CM, WU JR, WAN YM, ZHANG ZJ, KANG J, XIANG YY, ZHU WH

Bipolar spin-filtering effect in B- or N-doped zigzag graphene nanoribbons with asymmetric edge hydrogenation

PHYSICS LETTERS A

WANG LH, ZHANG ZZ, ZHAO JG, DING BJ, GUO Y, JIN C

Theoretical study of H-2 adsorption on metal-doped graphene sheets with nitrogen-substituted defects

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

RAO DW, WANG YH, MENG ZS, YAO SS, CHEN X, SHEN XQ, LU RF

First-Principles Study of Field Emission from Zigzag Graphene Nanoribbons Terminated with Ether Groups

CHINESE JOURNAL OF CHEMICAL PHYSICS

CHEN X, LI B

First-Principles Study on Electronic and Optical Properties of Graphene-Like Boron Phosphide Sheets

CHINESE JOURNAL OF CHEMICAL PHYSICS

WANG SF, WU XJ

Controllable hydrogen adsorption and desorption by strain modulation on Ti decorated defective graphene

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

LIAO JH, ZHAO YJ, YANG XB

Band structure of graphene modulated by Ti or N dopants and applications in gas sensoring

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ZHANG HP, LUO XG, LIN XY, ZHANG YP, TANG PP, LU X, TANG YH