CO Adsorbate Promotes Polaron Photoactivity on the Reduced Rutile TiO 2 (110) Surface

Cheng, Cheng; Zhu, Yonghao; Fang, Wei-Hai; Long, Run; Prezhdo, Oleg V.

doi:10.1021/jacsau.1c00508

CO Adsorbate Promotes Polaron Photoactivity on the Reduced Rutile TiO ₂ (110) Surface

Journal Article · Thu Dec 30 00:00:00 EST 2021 · JACS Au

DOI:https://doi.org/10.1021/jacsau.1c00508· OSTI ID:1837785

Cheng, Cheng ^[1]; Zhu, Yonghao ^[1]; ^[1]; ^[1]; ^[2]

College of Chemistry, Key Laboratory of Theoretical and Computational Photochemistry of Ministry of Education, Beijing Normal University, Beijing 100875, P.R. China
Department of Chemistry, University of Southern California, Los Angeles, California 90089, United States

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Research Organization:: Beijing Normal Univ. (China)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Grant/Contract Number:: SC0014429

OSTI ID:: 1837785

Alternate ID(s):: OSTI ID: 1841680

Journal Information:: JACS Au, Journal Name: JACS Au Journal Issue: 1 Vol. 2; ISSN 2691-3704

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
TiO2
adsorbate−polaron interaction
adsorption
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electron−hole recombination
molecules
nonadiabatic molecular dynamics
oxides
polaron
time-dependent density functional theory

CO Adsorbate Promotes Polaron Photoactivity on the Reduced Rutile TiO 2 (110) Surface

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CO Adsorbate Promotes Polaron Photoactivity on the Reduced Rutile TiO ₂ (110) Surface