Molecular Dynamics Simulation of First-Adsorbed Water Layer at Titanium Dioxide Surfaces
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Chemical & Engineering Data"
DOI: 10.1021/acs.jced.7b00984
Abstract: The behavior of the first-adsorbed water layer at titanium dioxide surfaces is critical to the fundamental understanding of titanium dioxide-based applications. Using classical MD simulations, we study the properties of first-adsorbed water layers at four… read more here.
Keywords: water; titanium dioxide; adsorbed water; first adsorbed ... See more keywords
First Adsorbed Water Layer and Its Wettability Transition under Compressive Lattice Strain
Sign Up to like & getrecommendations! Published in 2019 at "Journal of Physical Chemistry C"
DOI: 10.1021/acs.jpcc.9b06815
Abstract: A molecular-level description of a near-surface water structure and a handy manipulation of its properties are relevant to a broad range of scientific and technological phenomena. Here, through a s... read more here.
Keywords: water; adsorbed water; first adsorbed; water layer ... See more keywords
A review of recent advances in computational and experimental analysis of first adsorbed water layer on solid substrate
Sign Up to like & getrecommendations! Published in 2020 at "Molecular Simulation"
DOI: 10.1080/08927022.2020.1786086
Abstract: 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… read more here.
Keywords: water; adsorbed water; first adsorbed; water layer ... See more keywords