国家/地区 China（3） Austria（2） India（2） Japan（2）
Usa（2）
关键词 GRAPHENE（3） DENSITY FUNCTIONAL .（2） MOLECULAR DYNAMICS .（2）
出版物 JOURNAL OF CHEMICAL PHYSICS（16）
出版时间 2012（16）
机构 TOHOKU UNIV（2） UNIV VIENNA（2）
作者 KAWAZOE Y（3） BLONSKI P（2） HAFNER J（2） PHILPOTT MR（2）

Chiral graphene nanoribbons: Objective molecular dynamics simulations and phase-transition modeling

JOURNAL OF CHEMICAL PHYSICS

AKATYEVA E, DUMITRICA T

Markovian dissipative coarse grained molecular dynamics for a simple 2D graphene model

JOURNAL OF CHEMICAL PHYSICS

KAUZLARIC D, ESPANOL P, GREINER A, SUCCI S

Temperature dependent elastic constants and ultimate strength of graphene and graphyne

JOURNAL OF CHEMICAL PHYSICS

SHAO TJ, WEN B, MELNIK R, YAO S, KAWAZOE Y, TIAN YJ

Size-dependent chemical reactivity of porous graphene for purification of exhaust gases

JOURNAL OF CHEMICAL PHYSICS

SI C, ZHOU G

A van der Waals density functional study of chloroform and other trihalomethanes on graphene

JOURNAL OF CHEMICAL PHYSICS

AKESSON J, SUNDBORG O, WAHLSTROM O, SCHRODER E

Highly tunable spin-dependent electron transport through carbon atomic chains connecting two zigzag graphene nanoribbons

JOURNAL OF CHEMICAL PHYSICS

XU YH, WANG BJ, KE SH, YANG WT, ALZAHRANI AZ

Half-metallicity in graphene nanoribbons with topological defects at edge

JOURNAL OF CHEMICAL PHYSICS

BHATTACHARJEE J

Unraveling siRNA unzipping kinetics with graphene

JOURNAL OF CHEMICAL PHYSICS

MOGURAMPELLY S, PANIGRAHI S, BHATTACHARYYA D, SOOD AK, MAITI PK

Magnetism and structure of graphene nanodots with interiors modified by boron, nitrogen, and charge

JOURNAL OF CHEMICAL PHYSICS

PHILPOTT MR, KAWAZOE Y

Methane and carbon dioxide adsorption on edge-functionalized graphene: A comparative DFT study

JOURNAL OF CHEMICAL PHYSICS

WOOD BC, BHIDE SY, DUTTA D, KANDAGAL VS, PATHAK AD, PUNNATHANAM SN, AYAPPA KG, NARASIMHAN S