国家/地区 England（7） China（5）
关键词 GRAPHENE（2）
出版物 PHYSICAL REVIEW B（4） JOURNAL OF CHEMICAL.（3） NANO LETTERS（2）
出版时间 2016（3） 2011（2） 2014（2） 2021（2）
机构 UCL（4） CHINESE ACAD.（3）
作者 MICHAELIDES A（15）

Physisorption of Water on Graphene: Subchemical Accuracy from Many-Body Electronic Structure Methods

JOURNAL OF PHYSICAL CHEMISTRY LETTERS

BRANDENBURG JG, ZEN A, FITZNER M, RAMBERGER B, KRESSE G, TSATSOULIS T, GRUNEIS A, MICHAELIDES A, ALFE D

Development of a machine learning potential for graphene

PHYSICAL REVIEW B

ROWE P, CSANYI G, ALFE D, MICHAELIDES A

Friction of Water on Graphene and Hexagonal Boron Nitride from Ab Initio Methods: Very Different Slippage Despite Very Similar Interface Structures

NANO LETTERS

TOCCI G, JOLY L, MICHAELIDES A

Cooperative Interplay of van der Waals Forces and Quantum Nuclear Effects on Adsorption: H at Graphene and at Coronene

ACS NANO

DAVIDSON ERM, KLIMES J, ALFE D, MICHAELIDES A

Influence of water on the electronic structure of metal-supported graphene: Insights from van der Waals density functional theory

PHYSICAL REVIEW B

LI X, FENG J, WANG EG, MENG S, KLIMES J, MICHAELIDES A

Adsorption and diffusion of water on graphene from first principles

PHYSICAL REVIEW B

MA J, MICHAELIDES A, ALFE D, SCHIMKA L, KRESSE G, WANG EG

Binding of hydrogen on benzene, coronene, and graphene from quantum Monte Carlo calculations

JOURNAL OF CHEMICAL PHYSICS

MA J, MICHAELIDES A, ALFE D

Stone-Wales defects in graphene and other planar sp(2)-bonded materials

PHYSICAL REVIEW B

MA J, ALFE D, MICHAELIDES A, WANG E

Exploring dissociative water adsorption on isoelectronically BN doped graphene using alchemical derivatives

JOURNAL OF CHEMICAL PHYSICS

ALHAMDANI YS, MICHAELIDES A, VON LILIENFELD OA

Tuning dissociation using isoelectronically doped graphene and hexagonal boron nitride: Water and other small molecules

JOURNAL OF CHEMICAL PHYSICS

ALHAMDANI YS, ALFE D, VON LILIENFELD OA, MICHAELIDES A