期刊
JOURNAL OF CHEMICAL PHYSICS
卷 135, 期 24, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3668468
关键词
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资金
- Ministry of Education, Culture, Sports, Science and Technology (MEXT) Japan
- [20550013]
- [22018016]
- Grants-in-Aid for Scientific Research [09J05094, 22018016] Funding Source: KAKEN
We develop a new equation to describe solvation structure near solid-liquid interface at the atomic-level. The developed equation focuses on anisotropy of solvation structure near the interface by using two-dimensional density distribution of solvent along two directions, one of which is perpendicular to the interface and the other is parallel to the interface. As a first application of the equation, we treat a system where a solid modeled by an atomistic wall is immersed in solvent water. The preferential adsorption position of water molecules and the change of water orientation by charging the wall are discussed. (C) 2011 American Institute of Physics. [doi: 10.1063/1.3668468]
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