国家/地区 China（4） Chile（2） Mexico（2）
关键词 GRAPHENE（5） GRAPHENE OXIDE（4） BORON NITRIDE（2）
GRAPHENE NANORIBBON（2）
出版物 JOURNAL OF MOLECULAR MODELING（12）
出版时间 2013（12）
机构 BENEMERITA U.（2） UNIV SANTIAG.（2）
作者 ANOTA EC（2）

A density functional theory study on oxygen reduction reaction on nitrogen-doped graphene

JOURNAL OF MOLECULAR MODELING

ZHANG J, WANG ZJ, ZHU ZP

Influence of doped nitrogen and vacancy defects on the thermal conductivity of graphene nanoribbons

JOURNAL OF MOLECULAR MODELING

YANG HY, TANG YQ, GONG J, LIU Y, WANG XL, ZHAO YF, YANG P, WANG ST

Modeling the physisorption of bisphenol A on graphene and graphene oxide

JOURNAL OF MOLECULAR MODELING

CORTESARRIAGADA D, SANHUEZA L, SANTANDERNELLI M

Molecular dynamics simulations of hydrogen storage capacity of few-layer graphene

JOURNAL OF MOLECULAR MODELING

WU CD, FANG TH, LO JY, FENG YL

The effects of external electric field: creating non-zero first hyperpolarizability for centrosymmetric benzene and strongly enhancing first hyperpolarizability for non-centrosymmetric edge-modified graphene ribbon H2N-(3,3)ZGNR-NO2

JOURNAL OF MOLECULAR MODELING

BAI Y, ZHOU ZJ, WANG JJ, LI Y, WU D, CHEN W, LI ZR, SUN CC

A large gap opening of graphene induced by the adsorption of CO on the Al-doped site

JOURNAL OF MOLECULAR MODELING

PEYGHAN AA, NOEI M, TABAR MB

Half-metallicity of graphene nanoribbons and related systems: a new quantum mechanical El Dorado for nanotechnologies aEuro broken vertical bar or a hype for materials scientists?

JOURNAL OF MOLECULAR MODELING

DELEUZE MS, HUZAK M, HAJGATO B

The average local ionization energy as a tool for identifying reactive sites on defect-containing model graphene systems

JOURNAL OF MOLECULAR MODELING

MURRAY JS, SHIELDS ZPI, LANE P, MACAVEIU L, BULAT FA

Molecular vibrational spectroscopy characterization of epoxy graphene oxide from density functional calculations

JOURNAL OF MOLECULAR MODELING

LIU B, SUN HJ, PENG TJ, JI GF

On the influence of point defects on the structural and electronic properties of graphene-like sheets: a molecular simulation study

JOURNAL OF MOLECULAR MODELING

ANOTA EC, ESCOBEDOMORALES A, VILLANUEVA MS, VAZQUEZCUCHILLO O, ROSAS ER