国家/地区 Usa（10）
关键词 DENSITY FUNCTIONAL CALCULATION（10）
出版物 ACS NANO（2） CHEMSUSCHEM（2） SURFACE SCIENCE（2）
出版时间 2014（3） 2010（2）
机构 CLARK ATLANT.（2） UNIV TEXAS A.（2）
作者 HWANG GS（2） SAMARAKOON D.（2） WANG XQ（2） XU Y（2）

Investigating energetics of Au-8 on graphene/Ru(0001) using a genetic algorithm and density functional theory

SURFACE SCIENCE

TENG D, VILHELMSEN LB, SHOLL DS

Energetics of Defects on Graphene through Fluorination

CHEMSUSCHEM

XIAO J, MEDURI P, CHEN HH, WANG ZG, GAO F, HU JZ, FENG J, HU M, DAI S, BROWN S, ADCOCK JL, DENG ZQ, LIU J, GRAFF GL, AKSAY IA, ZHANG JG

Identifying Active Functionalities on Few-Layered Graphene Catalysts for Oxidative Dehydrogenation of Isobutane

CHEMSUSCHEM

DATHAR GKP, TSAI YT, GIERSZAL K, XU Y, LIANG CD, RONDINONE AJ, OVERBURY SH, SCHWARTZ V

First-Principles Study of Boron- and Nitrogen-Doped Graphene in the Presence of Point Surface Defects

JOURNAL OF COMPUTATIONAL THEORETICAL NANOSCIENCE

TARAWNEH K, ALAQTASH N

Defect-Assisted Covalent Binding of Graphene to an Amorphous Silica Surface: A Theoretical Prediction

CHEMPHYSCHEM

KWEON KE, HWANG GS

Tunable Band Gap in Hydrogenated Bilayer Graphene

ACS NANO

SAMARAKOON DK, WANG XQ

Gating of Single-Layer Graphene with Single-Stranded Deoxyribonucleic Acids

SMALL

LIN JA, TEWELDEBRHAN D, ASHRAF K, LIU GX, JING XY, YAN Z, LI R, OZKAN M, LAKE RK, BALANDIN AA, OZKAN CS

Chair and Twist-Boat Membranes in Hydrogenated Graphene

ACS NANO

SAMARAKOON DK, WANG XQ

On the Importance of Regulating Hydroxyl Coverage on the Basal Plane of Graphene Oxide for Supercapacitors

CHEMELECTROCHEM

PAK AJ, HWANG GS

Reconciling the electronic and geometric corrugations of the hexagonal boron nitride and graphene nanomeshes

SURFACE SCIENCE

MCKEE WC, MEUNIER V, XU Y