国家/地区 Iran（2）
关键词 DENSITY FUNCTIONAL THEORY（4）
出版物 COMPUTATIONAL MATERIALS SCIENCE（4）
出版时间 2017（4）
机构
作者

Tetracyanobenzene-Al-graphene efficiency as an organic electrode material for Na-ion batteries: A theoretical approach

COMPUTATIONAL MATERIALS SCIENCE

MOLAEI M, MOUSAVIKHOSHDEL SM

The diode characteristics and rectification effect of three nanodevice containing graphene and oxidized graphene nanoribbons: A density functional theory plus non-equilibrium Green's function study

COMPUTATIONAL MATERIALS SCIENCE

JALALINIA A, ABBASI A, SARDROODI JJ, EBRAHIMZADEH AR

Comparison of performance of van der Waals-corrected exchange-correlation functionals for interlayer interaction in graphene and hexagonal boron nitride

COMPUTATIONAL MATERIALS SCIENCE

LEBEDEVA IV, LEBEDEV AV, POPOV AM, KNIZHNIK AA

Interfacial charge transfer and mechanisms of enhanced photocatalysis of an anatase TiO2(001)-MoS2-graphene nanocomposite: A first-principles investigation

COMPUTATIONAL MATERIALS SCIENCE

ZENG XY, XIAO XY, ZHANG WP, WAN CX, WANG HL