中文版 | English
Title

Activation of CO2 by Direct Cleavage Triggered by Photoelectrons on Rutile TiO2(110)

Author
Corresponding AuthorXu,Hu
Publication Years
2023-02-23
DOI
Source Title
ISSN
1948-7185
EISSN
1948-7185
Volume14Issue:7Pages:1928-1933
Abstract
The initial activation of the inert CO is a key step in its photoreduction to valuable chemicals. This process was proposed to proceed mainly by CO accepting a photoelectron to form a CO radical or by CO accepting two photoelectrons and a proton to form the HCOO anion on the prototypical rutile TiO(110) surface. Here, we reveal a new mechanism, in which CO is directly cleaved to CO and the adsorbed O anion under the trigger of two photoelectrons, by using density functional theory calculations with the HSE06 hybrid functional. The newly revealed mechanism is more favorable than the two previously proposed pathways. Furthermore, our results show that the deficiency of photoelectrons on the catalyst surface is a potential reason for the current low efficiency of CO photoreduction.
URL[Source Record]
Indexed By
Language
English
Important Publications
NI Journal Papers
SUSTech Authorship
First ; Corresponding
Funding Project
Science, Technology, and Innovation Commission of Shenzhen Municipality[RCYX20200714114523069] ; National Natural Science Foundation of China[11974160]
WOS Research Area
Chemistry ; Science & Technology - Other Topics ; Materials Science ; Physics
WOS Subject
Chemistry, Physical ; Nanoscience & Nanotechnology ; Materials Science, Multidisciplinary ; Physics, Atomic, Molecular & Chemical
WOS Accession No
WOS:000937469900001
Publisher
Scopus EID
2-s2.0-85148340548
Data Source
Scopus
Citation statistics
Cited Times [WOS]:1
Document TypeJournal Article
Identifierhttp://kc.sustech.edu.cn/handle/2SGJ60CL/497250
DepartmentDepartment of Physics
Affiliation
Department of Physics,Southern University of Science and Technology,Shenzhen,518055,China
First Author AffilicationDepartment of Physics
Corresponding Author AffilicationDepartment of Physics
First Author's First AffilicationDepartment of Physics
Recommended Citation
GB/T 7714
Zhao,Changming,Xu,Hu. Activation of CO2 by Direct Cleavage Triggered by Photoelectrons on Rutile TiO2(110)[J]. Journal of Physical Chemistry Letters,2023,14(7):1928-1933.
APA
Zhao,Changming,&Xu,Hu.(2023).Activation of CO2 by Direct Cleavage Triggered by Photoelectrons on Rutile TiO2(110).Journal of Physical Chemistry Letters,14(7),1928-1933.
MLA
Zhao,Changming,et al."Activation of CO2 by Direct Cleavage Triggered by Photoelectrons on Rutile TiO2(110)".Journal of Physical Chemistry Letters 14.7(2023):1928-1933.
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