国家/地区 Usa（10） China（9） Brazil（2）
关键词 DENSITY FUNCTIONAL THEORY（35）
出版物 PHYSICAL REVIEW B（17） JOURNAL OF CHEMICAL.（8） APPLIED PHYSICS LET.（6）
JOURNAL OF APPLIED .（2）
出版时间 2009（35）
机构 NANJING UNIV.（2） SANDIA NATL .（2） UNIV SCI TE.（2）
作者 YANG JL（3） FEIBELMAN PJ（2） GUO WL（2） KAWAZOE Y（2）
LUO Y（2） MIZUSEKI H（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

Graphene to graphite: electronic changes within DFT calculations

BRAZILIAN JOURNAL OF PHYSICS

ALZAHRANI AZ, SRIVASTAVA GP

Lithium adsorption on zigzag graphene nanoribbons

JOURNAL OF APPLIED PHYSICS

UTHAISAR C, BARONE V, PERALTA JE

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

Graphene growth by metal etching on Ru(0001)

PHYSICAL REVIEW B

STARODUB E, MAIER S, STASS I, BARTELT NC, FEIBELMAN PJ, SALMERON M, MCCARTY KF

Emergence of local magnetic moments in doped graphene-related materials

PHYSICAL REVIEW B

VENEZUELA P, MUNIZ RB, COSTA AT, EDWARDS DM, POWER SR, FERREIRA MS

Stacking of polycyclic aromatic hydrocarbons as prototype for graphene multilayers, studied using density functional theory augmented with a dispersion term

JOURNAL OF CHEMICAL PHYSICS

FENG C, LIN CS, FAN W, ZHANG RQ, VAN HOVE MA

Epoxide reduction with hydrazine on graphene: A first principles study

JOURNAL OF CHEMICAL PHYSICS

KIM MC, HWANG GS, RUOFF RS