Molecular Adsorption of H2O on TiO2 and TiO2:Y Surfaces

Molecular Adsorption of H2O on TiO2 and TiO2:Y Surfaces

In this work, using theoretical calculations within the framework of the density functional theory, taking into account the dispersive VDW interaction, the processes of adsorption and interaction of a water molecule with a TiO2 surface in various configurations are investigated. At the atomic / mole...

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Bibliographic Details
Main Authors: D. D. Nematov, K. T. Kholmurodov, M. A. Husenzoda, A. Lyubchyk, A. S. Burhonzoda
Format: Article
Language:English
Published: Ital Publication 2022-06-01
Series:Journal of Human, Earth, and Future
Subjects:
density of states
water adsorption
dft
titanium dioxide
water splitting
surface.
Online Access:https://www.hefjournal.org/index.php/HEF/article/view/160

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