国家/地区 China（12）
关键词 DENSITY FUNCTIONAL .（4） FIRSTPRINCIPLE（4） GRAPHENE（3）
ARMCHAIR GRAPHENE N.（2） HYDROGEN ADSORPTION.（2）
出版物 PHYSICA ELOWDIMENSI.（6） APPLIED SURFACE SCI.（3）
出版时间 2014（7） 2015（5）
机构 SHAANXI NORMAL UNIV（12）
作者 XU KW（12）

Improving SO2 gas sensing properties of graphene by introducing dopant and defect: A first-principles study

APPLIED SURFACE SCIENCE

LIU XY, ZHANG JM, XU KW, JI V

Hydrogen adsorption and storage of Ca-decorated graphene with topological defects: A first-principles study

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

MA L, ZHANG JM, XU KW, JI V

Armchair graphene nanoribbons under shear strain

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

QU LH, ZHANG JM, XU KW, JI V

Structural and electronic properties of single-side fluorinated graphene C4F under equibiaxial strains

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

QU LH, ZHANG JM, XU KW, JI V

Chlorine molecule adsorbed on graphene and doped graphene: A first-principle study

PHYSICA BCONDENSED MATTER

LIU XY, ZHANG JM, XU KW

Hydrogen storage on nitrogen induced defects in palladium-decorated graphene: A first-principles study

APPLIED SURFACE SCIENCE

MA L, ZHANG JM, XU KW

Structural and electronic properties of armchair graphene nanoribbons under uniaxial strain

PHYSICA ELOWDIMENSIONAL SYSTEMS NANOSTRUCTURES

QU LH, ZHANG JM, XU KW, JI V

Structural, electronic and magnetic properties of 5d transition metal mediated benzene adsorption on graphene: A first-principles study

SYNTHETIC METALS

QU LH, ZHANG JM, XU KW

A first-principles study on gas sensing properties of graphene and Pd-doped graphene

APPLIED SURFACE SCIENCE

MA L, ZHANG JM, XU KW, JI V

A first-principles study on uniaxial strain effects of nonplanar oxygen-functionalized armchair graphene nanoribbons

JOURNAL OF ALLOYS COMPOUNDS

QU LH, ZHANG JM, XU KW, JI V