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1. NO Degradation on the Anatase TiO2 (001) Surface in the Presence of Water

Author

Thomas Frauenheim, Garcia Ad, Filippo Balzaretti, Gou P, Susan Köppen, and Verena Kristin Gupta

Subjects
Surface (mathematics), Anatase, Surface oxygen, Chemistry, Degradation (geology), Molecule, Electron, Photochemistry, Excitation
Abstract

Two possible CT induced oxidation mechanisms for NO have been demonstrated, which show the formation of HONO+ by the interaction with water or the formation of NO+2 with a surface oxygen. Our results indicated, that an excitation in the visible does in most cases lead to the creation of a hole on the NO molecule and an electron in the CB of TiO2.

Published
2021
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