期刊
MOLECULAR SIMULATION
卷 47, 期 10-11, 页码 925-941出版社
TAYLOR & FRANCIS LTD
DOI: 10.1080/08927022.2020.1786086
关键词
Water; solid interface; computation and experiment; first adsorbed water layer; adsorption structure
资金
- National Science Foundation [CHE-1710102]
- DTRA [HDTRA11910008]
- U.S. Department of Defense (DOD) [HDTRA11910008] Funding Source: U.S. Department of Defense (DOD)
This review summarises recent advances in the molecular-level understanding of the first adsorbed water layer (FAWL) on solid substrates, including the evolution of FAWL structures on metal surfaces, the effect of substrate surface morphology on water structures, and the adsorption structures of FAWL on metal oxide surfaces.
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.
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