国家/地区 Japan（10）
关键词 DFT（2） GRAPHENE（2）
出版物 JAPANESE JOURNAL OF.（4） THIN SOLID FILMS（2）
出版时间 2009（3） 2010（2）
机构 HOKKAIDO UNIV（10）
作者 KAWABATA H（10）

A density functional theory study on the carbon defect in a graphene nano-flake surface promoting hydrogenation

JAPANESE JOURNAL OF APPLIED PHYSICS

KAWABATA H, TACHIKAWA H

Additions of fluorine atoms to the surfaces of graphene Nanoflakes:A density functional theory study

SOLID STATE SCIENCES

TACHIKAWA H, KAWABATA H

Effect of hydrogenation on the band gap of graphene nano-flakes

THIN SOLID FILMS

TACHIKAWA H, IYAMA T, KAWABATA H

Interaction of Hydroxyl OH Radical with Graphene Surface: A Density Functional Theory Study

JAPANESE JOURNAL OF APPLIED PHYSICS

TACHIKAWA H, IYAMA T, KAWABATA H

Ground and low-lying excited electronic states of graphene flakes: a density functional theory study

JOURNAL OF PHYSICS BATOMIC MOLECULAR OPTICAL PHYSICS

TACHIKAWA H, KAWABATA H

Effects of Fluorine Atom Substitution of Graphene Edge Site on the Diffusion of Lithium Ion

JAPANESE JOURNAL OF APPLIED PHYSICS

TACHIKAWA H, IYAMA T, KAWABATA H

Density Functional Theory and Direct Molecular Dynamics Study of the Hydrogen Atom on a Finite-Sized Graphene

JAPANESE JOURNAL OF APPLIED PHYSICS

TACHIKAWA H, IYAMA T, KAWABATA H

MD simulation of the interaction of magnesium with graphene

THIN SOLID FILMS

TACHIKAWA H, IYAMA T, KAWABATA H

Electronic States of Defect Sites of Graphene Model Compounds: A DFT and Direct Molecular Orbital-Molecular Dynamics Study

JOURNAL OF PHYSICAL CHEMISTRY C

TACHIKAWA H, KAWABATA H

Interaction of Lithium Ion (Li+) with Chlorinated Graphene (Cl- Graphene) Surface: A Direct Ab-Initio MD Study

MOLECULAR CRYSTALS LIQUID CRYSTALS

KAWABATA H, IYAMA T, TACHIKAWA H