石墨烯
偶极子
密度泛函理论
材料科学
吸附
力矩(物理)
化学物理
星团(航天器)
凝聚态物理
纳米技术
计算化学
物理
化学
物理化学
经典力学
量子力学
计算机科学
程序设计语言
作者
O. Leenaerts,B. Partoens,F. M. Peeters
出处
期刊:Physical Review B
[American Physical Society]
日期:2009-06-29
卷期号:79 (23)
被引量:347
标识
DOI:10.1103/physrevb.79.235440
摘要
We apply density-functional theory to study the adsorption of water clusters on the surface of a graphene sheet and find i) graphene is highly hydrophobic and ii) adsorbed water has very little effect on the electronic structure of graphene. A single water cluster on graphene has a very small average dipole moment which is in contrast with an ice layer that exhibits a strong dipole moment.
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