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Photothermal Catalysis for Selective CO2 Reduction on the Modified Anatase TiO2 (101) Surface
Ist Teil von
ACS applied energy materials, 2021-08, Vol.4 (8), p.7702-7709
Ort / Verlag
American Chemical Society
Erscheinungsjahr
2021
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
Solar-induced photothermal catalysis of the CO2 reduction reaction (CO2RR) is a promising method for chemical CO2 conversion. Modification of the metal oxide catalyst surface, including the introduction of oxygen vacancies and the doping and loading of metal or metal oxides, has a considerable influence on the product selectivity of the CO2RR. The complete free energy profiles of the CO2RR pathway on modified anatase TiO2 (101) surfaces are calculated based on density functional theory. The modified surfaces enhance the adsorption of CO2, and competition between desorption and reduction of the key intermediates (CO*, HCOOH*, HCHO*, and CH3OH*) is crucial to the selectivity for the CO2RR to form C1 products. The loading of Au and the doping of MgO enhance the electron transfer between the key intermediates and the surface, as well as the internal electron transfer inside the key intermediates, which efficiently activates the key intermediates and significantly increases the CH4 selectivity of the CO2RR.
Sprache
Englisch
Identifikatoren
ISSN: 2574-0962
eISSN: 2574-0962
DOI: 10.1021/acsaem.1c01062
Titel-ID: cdi_acs_journals_10_1021_acsaem_1c01062
Format
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