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

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