国家/地区 China（25）
关键词 DENSITY FUNCTIONAL THEORY（25）
出版物 PHYSICS LETTERS A（3） ACS APPLIED MATERIA.（2） ACS CATALYSIS（2）
CHEMICAL PHYSICS（2） COMPUTATIONAL MATER.（2）
出版时间 2014（25）
机构 SICHUAN UNIV（5） HUNAN UNIV（3） CHINESE ACAD.（2） SHAANXI NORM.（2）
作者 FU ZB（3） TANG YJ（3） WANG CY（3） ZHANG H（3）
ZHOU QX（3） GUO Y（2） MA L（2） WANG L（2）
XU KW（2） XUE Y（2） ZHANG JM（2） ZHANG WH（2）

Transition metal atom embedded graphene for capturing CO: A first-principles study

INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

WANG L, LUO QQ, ZHANG WH, YANG JL

Interfacial Interactions of Semiconductor with Graphene and Reduced Graphene Oxide: CeO2 as a Case Study

ACS APPLIED MATERIALS INTERFACES

XU L, HUANG WQ, WANG LL, HUANG GF

Negative differential resistance induced by SiNx co-dopant in armchair graphene nanoribbon

MODERN PHYSICS LETTERS B

CHENG CP, HU HF, ZHANG ZJ, LIU QH, CHEN Y, PENG P

Band gap opening in zigzag graphene nanoribbon modulated with magnetic atoms

CURRENT APPLIED PHYSICS

TAN SH, TANG LM, CHEN KQ

Density-Functional-Theory Calculation Analysis of Active Sites for Four-Electron Reduction of O-2 on Fe/N-Doped Graphene

ACS CATALYSIS

LIANG W, CHEN JX, LIU YW, CHEN SL

Hydrogen adsorption and storage of Ca-decorated graphene with topological defects: A first-principles study

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

MA L, ZHANG JM, XU KW, JI V

DFT study of formaldehyde adsorption on vacancy defected graphene doped with B, N, and S

CHEMICAL PHYSICS

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

Theoretical investigation on carrier mobilities of armchair graphene nanoribbons with substituted edges

CHEMICAL PHYSICS

WANG G, GE HY

Tunable band gaps in graphene/GaN van der Waals heterostructures

JOURNAL OF PHYSICSCONDENSED MATTER

HUANG L, YUE Q, KANG J, LI Y, LI JB

Tunable Hydrogen Separation in Porous Graphene Membrane: First-Principle and Molecular Dynamic Simulation

ACS APPLIED MATERIALS INTERFACES

TAO YH, XUE QZ, LIU ZL, SHAN MX, LING CC, WU TT, LI XF