Effect of Oxygen Vacancies on Adsorption of Small Molecules on Anatase and Rutile TiO2 Surfaces: A Frontier Orbital Approach

Adsorption is a critical step in the initial stage of a catalytic reaction. Oxygen vacancies often become a central topic of discussion with respect to the reaction mechanism on metal oxide surfaces because oxygen vacancies change the surface electronic properties and affect the adsorption process....

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Veröffentlicht in:	Journal of physical chemistry. C 2021-02, Vol.125 (7), p.3827-3844
Hauptverfasser:	Hamamoto, Nobutsugu, Tatsumi, Toshinobu, Takao, Motoshi, Toyao, Takashi, Hinuma, Yoyo, Shimizu, Ken-ichi, Kamachi, Takashi
Format:	Artikel
Sprache:	eng ; jpn
Schlagworte:	C: Chemical and Catalytic Reactivity at Interfaces
Online-Zugang:	Volltext
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