国家/地区
关键词 GRAPHENE（4） DFT（2）
出版物 COMPUTATIONAL THEORETICAL CHEMISTRY（6）
出版时间 2017（6）
机构
作者

Enhanced interaction of nickel clusters with pyridinic-N (B) doped graphene using DFT simulation

COMPUTATIONAL THEORETICAL CHEMISTRY

ZHOU X, CHU W, SUN WJ, ZHOU YA, XUE Y

Band gap opening in bilayer graphene by the simultaneous adsorption of electron donating and electron acceptor molecules

COMPUTATIONAL THEORETICAL CHEMISTRY

DENIS PA

Physical adsorption of N-containing heterocycles on graphene-like boron nitride-carbon heterostructures: A DFT study

COMPUTATIONAL THEORETICAL CHEMISTRY

PETRUSHENKO IK, PETRUSHENKO KB

A first-principles study of the interaction of doxorubicin with graphene

COMPUTATIONAL THEORETICAL CHEMISTRY

TONEL MZ, MARTINS MO, ZANELLA I, PONTES RB, FAGAN SB

Chiral penta-graphene nanotubes: Structure, bonding and electronic properties

COMPUTATIONAL THEORETICAL CHEMISTRY

QUIJANOBRIONES JJ, FERNANDEZESCAMILLA HN, TLAHUICEFLORES A

Steric and chemical effects on the hydrogen adsorption and dissociation on free and graphene-supported palladium clusters

COMPUTATIONAL THEORETICAL CHEMISTRY

GRANJADELRIO A, ALONSO JA, LOPEZ MJ