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

Nobutsugu Hamamoto, Toshinobu Tatsumi, Motoshi Takao, Takashi Toyao, Yoyo Hinuma, Ken-ichi Shimizu, Takashi Kamachi

The Journal of Physical Chemistry C

2021/02

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