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The influence of the oxygen vacancies on the Pt/TiO2 single-atom catalyst-a DFT study

Yongkang Zhang1, Yuhang Wang1, Kaibin Su1

  • 1School of Mathematics and Physics, University of Science and Technology Beijing, Beijing, 100083, People's Republic of China.

Journal of Molecular Modeling
|May 31, 2022
PubMed

Keywords:
Density functional theory (DFT)Oxygen vacancies surface; d-band theorySingle-atom catalyst

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