国家/地区 China（8） Usa（7） Brazil（3） France（2）
Korea（2） Singapore（2）
关键词 AB INITIO CALCULATION（32）
出版物 PHYSICAL REVIEW B（19） APPLIED PHYSICS LET.（8） JOURNAL OF CHEMICAL.（4）
出版时间 2009（32）
机构 FUDAN UNIV（2） NATL UNIV SI.（2） POHANG UNIV .（2） UNIV SAO PAU.（2）
作者 FAZZIO A（3） DA SILVA AJR（2） FENG YP（2） JHI SH（2）
KIM G（2） LIM S（2） LU YH（2） PARK N（2）
WANG Y（2） YANG JL（2） ZENG Z（2）

Oxidation states of graphene: Insights from computational spectroscopy

JOURNAL OF CHEMICAL PHYSICS

ZHANG WH, CARRAVETTA V, LI ZY, LUO Y, YANG JL

Polarization-induced switching effect in graphene nanoribbon edge-defect junction

JOURNAL OF CHEMICAL PHYSICS

YIN G, LIANG YY, JIANG F, CHEN H, WANG P, NOTE R, MIZUSEKI H, KAWAZOE Y

Band-structure topologies of graphene: Spin-orbit coupling effects from first principles

PHYSICAL REVIEW B

GMITRA M, KONSCHUH S, ERTLER C, AMBROSCHDRAXL C, FABIAN J

First-principles calculation of the electronic properties of graphene clusters doped with nitrogen and boron: Analysis of catalytic activity for the oxygen reduction reaction

PHYSICAL REVIEW B

HUANG SF, TERAKURA K, OZAKI T, IKEDA T, BOERO M, OSHIMA M, OZAKI J, MIYATA S

Hydrogenation of bilayer graphene and the formation of bilayer graphane from first principles

PHYSICAL REVIEW B

LEENAERTS O, PARTOENS B, PEETERS FM

Electric-field control of magnetic states, charge transfer, and patterning of adatoms on graphene: First-principles density functional theory calculations

PHYSICAL REVIEW B

LU YH, SHI L, ZHANG C, FENG YP

Pulling long linear atomic chains from graphene: Molecular dynamics simulations

PHYSICAL REVIEW B

WANG Y, LIN ZZ, ZHANG WX, ZHUANG J, NING XJ

Effects induced by single and multiple dopants on the transport properties in zigzag-edged graphene nanoribbons

PHYSICAL REVIEW B

ZHENG XH, RUNGGER I, ZENG Z, SANVITO S

First-principles study on the enhancement of lithium storage capacity in boron doped graphene

APPLIED PHYSICS LETTERS

WANG XL, ZENG Z, AHN H, WANG GX

Linear correlation between binding energy and Young's modulus in graphene nanoribbons

JOURNAL OF APPLIED PHYSICS

ZEINALIPOURYAZDI CD, CHRISTOFIDES C