Dual-Defect Donor-Acceptor Pairing in Metal Oxide Semiconductors for Enhanced CO2 Photoreduction

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F25%3A10505485" target="_blank" >RIV/00216208:11310/25:10505485 - isvavai.cz</a>
Result on the web
<a href="https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=I-rhilsKx9" target="_blank" >https://verso.is.cuni.cz/pub/verso.fpl?fname=obd_publikace_handle&handle=I-rhilsKx9</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1021/acs.nanolett.5c04671" target="_blank" >10.1021/acs.nanolett.5c04671</a>

Result language
angličtina
Original language name
Dual-Defect Donor-Acceptor Pairing in Metal Oxide Semiconductors for Enhanced CO2 Photoreduction
Original language description
Defect engineering has emerged as a powerful approach to enhance the photocatalytic activity of metal oxides, yet the role of oxygen vacancies, commonly regarded as the Shockley-Read-Hall charge recombination centers, remains controversial. Taking bismuth oxybromide (BiOBr) as a prototypical photocatalyst, we demonstrate a dual-defect strategy incorporating both surface Br (V-Br) and bulk O (V-O) vacancies to suppress recombination and enhance CO2 reduction. While the V-O alone results in significant charge losses, the V-Br improves CO2 adsorption and lowers its LUMO to effectively capture photoexcited electrons from the V-O-induced defect state for the subsequent reaction. Formation of a donor-acceptor pair between the CO2 LUMO and the valence band maximum facilitates long-lived charge separation due to weak nonadiabatic coupling. The strategy extends to vacancy-transition metal doping, further lowering reaction barriers and advancing defect engineering principles. The study provides a comprehensive understanding of defect-dependent photocatalytic reactions, forming a basis for defect engineering in photocatalysis.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry

Project
<a href="/en/project/EH22_010%2F0008820" target="_blank" >EH22_010/0008820: MSCA Fellowships CZ - Charles University 3</a><br>
Continuities
P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Publication year
2025
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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