国家/地区 Japan（11）
关键词 DFT（11）
出版物 THIN SOLID FILMS（2）
出版时间 2010（2） 2015（2） 2020（2）
机构 HOKKAIDO UNI.（5）
作者 TACHIKAWA H（5） IYAMA T（4） KAWABATA H（2） OKADA S（2）

DFT study of Ru/graphene as high-performance electrocatalyst for NRR

INORGANIC CHEMISTRY COMMUNICATIONS

LIU AM, GAO MF, GAO YC, REN XF, YANG YN, YANG QY, LI YQ, GAO LG, LIANG XY, MA TL

Electronic structure of graphene under periodic uniaxial tensile strain

JAPANESE JOURNAL OF APPLIED PHYSICS

TOMORI H, MARUYAMA M, OKADA S

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

THIN SOLID FILMS

TACHIKAWA H, IYAMA T, KAWABATA H

Density Functional Theory (DFT) Study on Interaction of Carbon Free Radicals with Graphene Surface

MOLECULAR CRYSTALS LIQUID CRYSTALS

IYAMA T, TACHIKAWA H

Dissociative adsorption of H-2 molecules on steric graphene surface: Ab initio MD study based on DFT

COMPUTATIONAL THEORETICAL CHEMISTRY

DOI K, ONISHI I, KAWANO S

Density functional theory (DFT) study on the effects of Li+ doping on electronic states of graphene

JOURNAL OF POWER SOURCES

TACHIKAWA H, NAGOYA Y, FUKUZUMI T

First principles study of the physisorption of hydrogen molecule on graphene and carbon nanotube surfaces adhered by Pt atom

COMPUTATIONAL MATERIALS SCIENCE

LAM PT, DUNG PV, SUGIYAMA A, DUC ND, SHIMODA T, FUJIWARA A, CHI DH

MD simulation of the interaction of magnesium with graphene

THIN SOLID FILMS

TACHIKAWA H, IYAMA T, KAWABATA H

Structures and electronic states of halogen-terminated graphene nano-flakes

SOLID STATE SCIENCES

TACHIKAWA H, IYAMA T

Theoretical study of core-loss electron energy-loss spectroscopy at graphene nanoribbon edges

JOURNAL OF PHYSICSCONDENSED MATTER

FUJITA N, HASNIP PJ, PROBERT MIJ, YUAN J