国家/地区 China（6） Iran（2）
关键词 DENSITY FUNCTIONAL THEORY（8）
出版物 APPLIED SURFACE SCIENCE（8）
出版时间 2018（8）
机构
作者 LI K（2）

Adsorption and dissociation of CH(4)on graphene: A density functional theory study

APPLIED SURFACE SCIENCE

LI K, LI HJ, YAN NN, WANG TY, ZHAO ZG

A dispersion-corrected DFT investigation of CH4 adsorption by silver-decorated monolayer graphene in the presence of ambient oxygen molecules

APPLIED SURFACE SCIENCE

GHANBARI R, SAFAIEE R, GOLSHAN MM

Immobilization of ultraviolet absorbers on graphene oxide nanosheets to be utilized as a multifunctional hybrid UV-blocker: A combined density functional theory and practical application

APPLIED SURFACE SCIENCE

MAHDAVIAN M, YARI H, RAMEZANZADEH B, BAHLAKEH G, HASANI M

Mechanistic insights into porous graphene membranes for helium separation and hydrogen purification

APPLIED SURFACE SCIENCE

WEI SX, ZHOU SN, WU ZH, WANG MH, WANG ZJ, GUO WY, LU XQ

Spin polarization properties of benzene/graphene with transition metals as dopants: First principles calculations

APPLIED SURFACE SCIENCE

YUAN XB, TIAN YL, ZHAO XW, YUE WW, HU GC, REN JF

Adsorption of H2O, H-2, O-2, CO, NO, and CO2 on graphene/g-C3N4 nanocomposite investigated by density functional theory

APPLIED SURFACE SCIENCE

WU HZ, BANDARU S, LIU J, LI LL, WANG ZL

CH4 dissociation in the early stage of graphene growth on Fe-Cu(100) surface: Theoretical insights

APPLIED SURFACE SCIENCE

TIAN BY, LIU TH, YANG YY, LI K, WU ZJ, WANG Y

DFT study on Al-doped defective graphene towards adsorption of elemental mercury

APPLIED SURFACE SCIENCE

LIU Z, ZHANG YL, WANG BY, CHENG H, CHENG XR, HUANG ZC