Comprehensive Study of Oxygen Vacancies on the Catalytic Performance of ZnO for CO/H<sub>2</sub> Activation Using Machine Learning-Accelerated First-Principles Simulations.

Han, Yulan; Xu, Jiayan; Xie, Wenbo; Wang, Zhuozheng; Hu, P

Comprehensive Study of Oxygen Vacancies on the Catalytic Performance of ZnO for CO/H₂ Activation Using Machine Learning-Accelerated First-Principles Simulations.

Han, Yulan; Xu, Jiayan; Xie, Wenbo; Wang, Zhuozheng; Hu, P.

Affiliation

Han Y; School of Chemistry and Chemical Engineering, Queen's University Belfast, Belfast BT9 5AG, UK.
Xu J; School of Chemistry and Chemical Engineering, Queen's University Belfast, Belfast BT9 5AG, UK.
Xie W; School of Chemistry and Chemical Engineering, Queen's University Belfast, Belfast BT9 5AG, UK.
Wang Z; School of Chemistry and Chemical Engineering, Queen's University Belfast, Belfast BT9 5AG, UK.
Hu P; PetroChina Petrochemical Research Institute, Beijing 102206, China.

ACS Catal ; 13(8): 5104-5113, 2023 Apr 21.

Article in En | MEDLINE | ID: mdl-37123602

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Full text: 1 Collection: 01-internacional Database: MEDLINE Language: En Journal: ACS Catal Year: 2023 Document type: Article Affiliation country: Country of publication:

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