国家/地区 China（3） India（2）
关键词 DFT（10）
出版物 APPLIED SURFACE SCIENCE（10）
出版时间 2017（10）
机构
作者

Adsorption of phosgene molecule on the transition metal-doped graphene: First principles calculations

APPLIED SURFACE SCIENCE

ZHANG T, SUN H, WANG FD, ZHANG WD, TANG SW, MA JM, GONG HW, ZHANG JP

Adsorption and decomposition of dimethyl methylphosphonate on pristine and mono-vacancy defected graphene: A first principles study

APPLIED SURFACE SCIENCE

MAJUMDER C

Chemical functionalization and edge doping of zigzag graphene nanoribbon with L-(+)-leucine and group IS elements-A DFT study

APPLIED SURFACE SCIENCE

JANANI K, THIRUVADIGAL DJ

DFT study of Cu nanoparticles adsorbed on defective graphene

APPLIED SURFACE SCIENCE

GARCIARODRIGUEZ DE, MENDOZAHUIZAR LH, DIAZ C

Adsorption of various types of amino acids on the graphene and boron-nitride nano-sheet, a DFT-D3 study

APPLIED SURFACE SCIENCE

ZHIANI R

Direct decarbonylation of furfural to furan: A density functional theory study on Pt-graphene

APPLIED SURFACE SCIENCE

FELLAH MF

Enhanced CO2 capture on graphene via N, S dual-doping

APPLIED SURFACE SCIENCE

LI JY, HOU ML, CHEN YQ, CEN WL, CHU YH, YIN S

Theoretical insights into the energetics and electronic properties of MPt12 (M = Fe, Co, Ni, Cu, and Pd) nanoparticles supported by N-doped defective graphene

APPLIED SURFACE SCIENCE

WANG Q, TIAN Y, CHEN GJ, ZHAO JX

A DFT study of volatile organic compounds adsorption on transition metal deposited graphene

APPLIED SURFACE SCIENCE

KUNASETH M, POLDORN P, JUNKEAW A, MEEPRASERT J, RUNGNIM C, NAMUANGRUK S, KUNGWAN N, INNTAM C, JUNGSUTTIWONG S

Hydrogen adsorption and storage on Palladium - functionalized graphene with NH-dopant: A first principles calculation

APPLIED SURFACE SCIENCE

FAYE O, SZPUNAR JA, SZPUNAR B, BEYE AC