Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances

ABSTRACTThe interaction of water and surfaces, at molecular level, is of critical importance for understanding processes such as corrosion, friction, catalysis and mass transport. The significant literature on interactions with single crystal metal surfaces should not obscure unknowns in the unique...

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Main Authors: M. Sacchi, A. Tamtögl
Format: Article
Language:English
Published: Taylor & Francis Group 2023-12-01
Series:Advances in Physics: X
Subjects:
Online Access:https://www.tandfonline.com/doi/10.1080/23746149.2022.2134051
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author M. Sacchi
A. Tamtögl
author_facet M. Sacchi
A. Tamtögl
author_sort M. Sacchi
collection DOAJ
description ABSTRACTThe interaction of water and surfaces, at molecular level, is of critical importance for understanding processes such as corrosion, friction, catalysis and mass transport. The significant literature on interactions with single crystal metal surfaces should not obscure unknowns in the unique behaviour of ice and the complex relationships between adsorption, diffusion and long-range inter-molecular interactions. Even less is known about the atomic-scale behaviour of water on novel, non-metallic interfaces, in particular on graphene and other 2D materials. In this manuscript, we review recent progress in the characterisation of water adsorption on 2D materials, with a focus on the nano-material graphene and graphitic nanostructures; materials which are of paramount importance for separation technologies, electrochemistry and catalysis, to name a few. The adsorption of water on graphene has also become one of the benchmark systems for modern computational methods, in particular dispersion-corrected density functional theory (DFT). We then review recent experimental and theoretical advances in studying the single-molecular motion of water at surfaces, with a special emphasis on scattering approaches as they allow an unparalleled window of observation to water surface motion, including diffusion, vibration and self-assembly.
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spelling doaj.art-adda8c75ebc94b1386a93eb9cec8b80a2023-10-19T13:03:28ZengTaylor & Francis GroupAdvances in Physics: X2374-61492023-12-018110.1080/23746149.2022.2134051Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advancesM. Sacchi0A. Tamtögl1Department of Chemistry, University of Surrey, Guildford, UKInstitute of Experimental Physics, Graz University of Technology, Graz, AustriaABSTRACTThe interaction of water and surfaces, at molecular level, is of critical importance for understanding processes such as corrosion, friction, catalysis and mass transport. The significant literature on interactions with single crystal metal surfaces should not obscure unknowns in the unique behaviour of ice and the complex relationships between adsorption, diffusion and long-range inter-molecular interactions. Even less is known about the atomic-scale behaviour of water on novel, non-metallic interfaces, in particular on graphene and other 2D materials. In this manuscript, we review recent progress in the characterisation of water adsorption on 2D materials, with a focus on the nano-material graphene and graphitic nanostructures; materials which are of paramount importance for separation technologies, electrochemistry and catalysis, to name a few. The adsorption of water on graphene has also become one of the benchmark systems for modern computational methods, in particular dispersion-corrected density functional theory (DFT). We then review recent experimental and theoretical advances in studying the single-molecular motion of water at surfaces, with a special emphasis on scattering approaches as they allow an unparalleled window of observation to water surface motion, including diffusion, vibration and self-assembly.https://www.tandfonline.com/doi/10.1080/23746149.2022.2134051Watericewater dynamicssurface diffusionwettabilitygraphene
spellingShingle M. Sacchi
A. Tamtögl
Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances
Advances in Physics: X
Water
ice
water dynamics
surface diffusion
wettability
graphene
title Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances
title_full Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances
title_fullStr Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances
title_full_unstemmed Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances
title_short Water adsorption and dynamics on graphene and other 2D materials: computational and experimental advances
title_sort water adsorption and dynamics on graphene and other 2d materials computational and experimental advances
topic Water
ice
water dynamics
surface diffusion
wettability
graphene
url https://www.tandfonline.com/doi/10.1080/23746149.2022.2134051
work_keys_str_mv AT msacchi wateradsorptionanddynamicsongrapheneandother2dmaterialscomputationalandexperimentaladvances
AT atamtogl wateradsorptionanddynamicsongrapheneandother2dmaterialscomputationalandexperimentaladvances