Identifying Photocatalytic Active Sites of C2H6 C–H Bond Activation on TiO2 via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations-Reference-Cited by-同舟云学术

Identifying Photocatalytic Active Sites of C₂H₆ C–H Bond Activation on TiO₂ via Combining First-Principles Ground-State and Excited-State Electronic Structure Calculations

Published:2022-07-13 Issue:28 Volume:13 Page:6532-6540
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Wang Xiaoning¹,Wan Lingyun¹^ORCID,Wang Zijian¹,Liu Xiaofeng²,Gao Yunzhi¹,Wang Lei¹^ORCID,Liu Jie¹,Guo Qing³,Hu Wei¹^ORCID,Yang Jinlong¹^ORCID

Affiliation:

1. Department of Chemical Physics and Hefei National Research Center for Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China

2. School of Physics, Hefei University of Technology, Hefei, Anhui 230009, China

3. Department of Chemistry, Southern University of Science and Technology, Shenzhen, Guangdong 518055, P. R. China

Funder

University of Science and Technology of China

Ministry of Science and Technology of the People's Republic of China

National Natural Science Foundation of China

Chinese Academy of Sciences

Center of Chinese Academy Project for Young Scientists in Basic Research

Anhui Initiative in Quantum Information Technologies

Hefei National Laboratory for Physical Sciences at the Microscale

Publisher

American Chemical Society (ACS)