Molecular Features of Hydration Layers: Insights from Simulation, Microscopy, and Spectroscopy

Water molecules are orderly when stacked on a material surface in a liquid or under ambient conditions. Such a hydration layer plays a crucial role in various chemical and biological processes at interfaces. Significant gaps exist however in our understanding of the molecular structure and dynamics...

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Published inJournal of physical chemistry. C Vol. 126; no. 21; pp. 8967 - 8977
Main Authors Kim, Kiduk, Choi, Seyong, Zhang, Zhengqing, Bai, Liyi, Chung, Sungwook, Jang, Joonkyung
Format Journal Article
LanguageEnglish
Published American Chemical Society 02.06.2022
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Summary:Water molecules are orderly when stacked on a material surface in a liquid or under ambient conditions. Such a hydration layer plays a crucial role in various chemical and biological processes at interfaces. Significant gaps exist however in our understanding of the molecular structure and dynamics of a hydration layer. Atomic force microscopy (AFM) and vibrational sum frequency generation (VSFG) are widely used to probe the molecular stacking and orientation in a hydration layer. We review the molecular features of a hydration layer extracted from AFM and VSFG and how a molecular simulation can give a clear and quantitative interpretation of these experiments.
ISSN:1932-7447
1932-7455
DOI:10.1021/acs.jpcc.2c01313