Chlorine Adsorption on TiO<sub>2</sub>(110)/Water Interface: Nonadiabatic Molecular Dynamics Simulations for Photocatalytic Water Splitting

Chlorine Adsorption on TiO<sub>2</sub>(110)/Water Interface: Nonadiabatic Molecular Dynamics Simulations for Photocatalytic Water Splitting

Chloride is one of the most abundant ions in sea water, which is more available than fresh water. Due to lack of H<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><msub><mrow></mrow><mn>2</mn...

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Bibliographic Details
Main Authors: Yin-Pai Lin, Dmitry Bocharov, Inta Isakoviča, Vladimir Pankratov, Aleksandr A. Popov, Anatoli I. Popov, Sergei Piskunov
Format: Article
Language:English
Published: MDPI AG 2023-03-01
Series:Electronic Materials
Subjects:
TiO<sub>2</sub>
photocatalyst
seawater
time-dependent density functional theory
Ehrenfest dynamics
Online Access:https://www.mdpi.com/2673-3978/4/1/4

Internet

https://www.mdpi.com/2673-3978/4/1/4

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