国家/地区 China（3）
关键词 ADSORPTION（8）
出版物 CHEMICAL PHYSICS LETTERS（8）
出版时间 2018（3）
机构
作者

DFT analysis of H2S adsorbed zigzag and armchair graphene nanoribbons

CHEMICAL PHYSICS LETTERS

SUMAN H, SRIVASTAVA R, SHRIVASTAVA S, SRIVASTAVA A, JACOB AP, MALVI CS

Insights on porphyrin-functionalized graphene: Theoretical study of substituent and metal-center effects on adsorption

CHEMICAL PHYSICS LETTERS

TOUZEAU J, BARBAULT F, MAUREL F, SEYDOU M

Theoretical investigation of the sensing mechanism of the pure graphene and AL,B,N,P doped mono-vacancy graphene-based methane

CHEMICAL PHYSICS LETTERS

NI JM, YANG BQ, JIA FF, SHE YL, SONG SX, QUINTANA M

BN co-doped graphene monolayers as promising metal-free catalysts for N2O reduction: A DFT study

CHEMICAL PHYSICS LETTERS

ESRAFILI MD

Lithium adsorption on heteroatom mono and dual doped graphene

CHEMICAL PHYSICS LETTERS

DENIS PA

Path integral centroid molecular dynamics simulation of para-hydrogen sandwiched by graphene sheets

CHEMICAL PHYSICS LETTERS

MINAMINO Y, KINUGAWA K

Density functional theory study of single Ni atom decorated N-doped graphene for high performance H2S sensor

CHEMICAL PHYSICS LETTERS

LI Y, YANG YY, LI K, WANG YW, NING P, SUN X

A first-principles study of the adsorption of trichloroethylene on vacancy-defected graphene decorated by Cu and/or Ni dimers

CHEMICAL PHYSICS LETTERS

FAN QQ, AN LB, JIA XT