国家/地区 China（9）
关键词 ADSORPTION（3） DENSITY FUNCTIONAL .（3） GRAPHENE（3）
出版物 JOURNAL OF MOLECULAR GRAPHICS MODELLING（9）
出版时间 2018（2） 2020（2） 2022（2）
机构
作者

Computational investigation of N2O adsorption and dissociation on the silicon-embedded graphene catalyst: A density functional theory perspective

JOURNAL OF MOLECULAR GRAPHICS MODELLING

VAKILI M, GHOLIZADEH R, GHADI A, SALMASI E, SINNOKROT M

Graphene-like boron carbide monolayer as an electronic and work function-type sensor for dopamine drug

JOURNAL OF MOLECULAR GRAPHICS MODELLING

DING WY, ZHANG X, WU YL, WU L

Simulations on methane uptake in tunable pillared porous graphene hybrid architectures

JOURNAL OF MOLECULAR GRAPHICS MODELLING

JIANG H, CHENG XL

The reaction pathways of the oxygen reduction reaction on IrN4 doped divacancy graphene: A theoretical study

JOURNAL OF MOLECULAR GRAPHICS MODELLING

LIU SZ, CHENG L, LI K, WANG Y, YANG YW, WU ZJ

Can Si-doped graphene activate or dissociate O-2 molecule?

JOURNAL OF MOLECULAR GRAPHICS MODELLING

CHEN Y, YANG XC, LIU YJ, ZHAO JX, CAI QH, WANG XZ

Studying the adsorption of DNA nanostructures on graphene in the aqueous phase using molecular dynamic simulations

JOURNAL OF MOLECULAR GRAPHICS MODELLING

SUN JX, LI Y, LIN JP

Band structure of graphene modulated by Ti or N dopants and applications in gas sensoring

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ZHANG HP, LUO XG, LIN XY, ZHANG YP, TANG PP, LU X, TANG YH

Molecular dynamics simulation of the adsorption properties of graphene oxide/graphene composite for alkali metal ions

JOURNAL OF MOLECULAR GRAPHICS MODELLING

ZENG JP, ZHANG Y, CHEN YH, HAN ZJ, CHEN XM, PENG Y, CHEN L, CHEN S

First principles study on electronic properties and oxygen evolution mechanism of 2D bimetallic N-doped graphene

JOURNAL OF MOLECULAR GRAPHICS MODELLING

HOU GY, SONG YB, MA XX, CHU FH, WU ML, WANG DL, WU J, QI YF, WU CC, XIONG MC