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A review of recent advances in computational and experimental analysis of first adsorbed water layer on solid substrate
Molecular Simulation ( IF 2.1 ) Pub Date : 2020-06-30 , DOI: 10.1080/08927022.2020.1786086
Guobing Zhou 1 , Liangliang Huang 1
Affiliation  

ABSTRACT

The interactions at the water/solid interface is of great importance to a broad range of scientific phenomena and technological processes in astrophysics, electrochemistry, corrosion, lubrication, and heterogeneous catalysis. Tremendous research interest has been dedicated to comprehending the behaviours of water molecules near solid surfaces, particularly the first adsorbed water layer (FAWL) due to its dominant role in dictating mass and charge transport and influencing reaction rate and mechanism at the interface. In this review, we summarise the recent advances in the molecular-level understanding of the FAWL on solid substrates. We start by describing the evolution of the ice-like bilayer structures of FAWL on Ru(0001) and Pt(111) surfaces, followed by a brief discussion of substrate surface morphology effect on water structures. Subsequently, we discuss the molecular and dissociative adsorption structures of FAWL on metal oxide surfaces. After that, we interpret how the properties of FAWL affect the behaviour of water molecules above the monolayer. The summary and outlook towards the design and manipulation of ordered monolayer water is presented in the end.



中文翻译:

固体基质上第一层吸附水层计算和实验分析的最新进展综述

摘要

水/固体界面处的相互作用对天体物理学、电化学、腐蚀、润滑和多相催化中的广泛科学现象和技术过程具有重要意义。巨大的研究兴趣一直致力于理解固体表面附近的水分子的行为,特别是第一吸附水层 (FAWL),因为它在决定质量和电荷传输以及影响界面反应速率和机理方面的主导作用。在这篇综述中,我们总结了对固体基质上 FAWL 的分子水平理解的最新进展。我们首先描述了 FAWL 在 Ru(0001) 和 Pt(111) 表面上的冰状双层结构的演变,然后简要讨论了基材表面形态对水结构的影响。随后,我们讨论了 FAWL 在金属氧化物表面上的分子和解离吸附结构。之后,我们解释了 FAWL 的特性如何影响单层上方水分子的行为。最后对有序单层水的设计和操作进行了总结和展望。

更新日期:2020-06-30
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