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NO_degradation_on_the_Anatase_TiO2__001__surface_in_the_presence_of_water(1).pdf (8.51 MB)

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

preprint
submitted on 22.04.2021, 11:54 and posted on 26.04.2021, 04:39 by Susan Köppen, Verena Kristin Gupta, Filippo Balzaretti, Pu Gou, Thomas Frauenheim, Adriel Dominguez Garcia
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.

Funding

RTG QM3 (GRK 2247)

History

Email Address of Submitting Author

koeppen@uni-bremen.de

Institution

University of Bremen

Country

Germany

ORCID For Submitting Author

0000-0001-7626-9936

Declaration of Conflict of Interest

no

Exports

ChemRxiv

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