国家/地区 China（17）
关键词 GRAPHENE（17）
出版物 JOURNAL OF MOLECULAR MODELING（17）
出版时间 2021（4） 2012（2） 2018（2） 2019（2） 2020（2） 2022（2）
机构 KUNMING UNIV.（3） HARBIN NORMA.（2）
作者 LI K（3） NING P（3） SUN X（3） CAI QH（2）
GAO B（2） HAO XG（2） LIU HC（2） SHEN T（2）
SONG X（2） WANG C（2） WANG XG（2） ZHAO JX（2）

First-principles studies of HF and HCl adsorption over graphene

JOURNAL OF MOLECULAR MODELING

RAN JW, HAO XG, LI K, WANG C, SONG X, SUN X, NING P

Fullerene-intercalated graphene nanocontainers for gas storage and sustained release

JOURNAL OF MOLECULAR MODELING

MAO DX, WANG XG, ZHOU GQ, CHEN L, CHEN JL, ZENG SW

Theoretical study on simultaneous removal of SO2, NO, and Hg-0 over graphene: competitive adsorption and adsorption type change

JOURNAL OF MOLECULAR MODELING

ZHAO XM, LI K, NING P, WANG C, SUN X, MA YX, SONG X, JIA LJ, HAO XG

Density functional theory analysis of selective adsorption of AsH3 on transition metal-doped graphene

JOURNAL OF MOLECULAR MODELING

LI Y, SUN X, ZHOU LL, NING P, TANG LH

Molecular dynamics simulation of the folding of single alkane chains with different lengths on single-walled carbon nanotubes and graphene

JOURNAL OF MOLECULAR MODELING

LIU YF, YANG H, ZHANG H

Theoretical insights on the oxygen-reduction reaction mechanism of LaN4-embedded graphene

JOURNAL OF MOLECULAR MODELING

SUN XX, LI K, YIN C, WANG Y, TANG H, WU ZJ

Adsorption of 2,3,7,8-tetrochlorodibenzo-p-dioxins on intrinsic, defected, and Ti (N, Ag) doped graphene: a DFT study

JOURNAL OF MOLECULAR MODELING

ZHANG HP, HE WD, LUO XG, LIN XY, LU X

Chemical functionalization of graphene via aryne cycloaddition: a theoretical study

JOURNAL OF MOLECULAR MODELING

ZHAO JX, WANG HX, GAO B, WANG XG, CAI QH, WANG XZ

Si-doped graphene: an ideal sensor for NO- or NO2-detection and metal-free catalyst for N2O-reduction

JOURNAL OF MOLECULAR MODELING

CHEN Y, GAO B, ZHAO JX, CAI QH, FU HG

First principle study of cysteine molecule on intrinsic and Au-doped graphene surface as a chemosensor device

JOURNAL OF MOLECULAR MODELING

ZHANG ZX, JIA HS, MA F, HAN PD, LIU XG, XU BS