Photothermal Catalysis for Selective CO2 Reduction on the Modified Anatase TiO2 (101) Surface

• DOI: 10.1021/acsaem.1c01062
• Publication Date: 2021-07-21T03:30:12Z
• Authors: Zheng Li; Li Zhang; Wenhui Huang; Chenyu Xu; Yanwei Zhang
• Keywords: Surface Modification

Solar-induced photothermal catalysis of the CO2 reduction reaction (CO2RR) is a promising method for chemical conversion. Modification metal oxide catalyst surface, including introduction oxygen vacancies and doping loading or oxides, has considerable influence on product selectivity CO2RR. The complete free energy profiles CO2RR pathway modified anatase TiO2 (101) surfaces are calculated based density functional theory. enhance adsorption CO2, competition between desorption key intermediates (CO*, HCOOH*, HCHO*, CH3OH*) crucial to form C1 products. Au MgO electron transfer as well internal inside intermediates, which efficiently activates significantly increases CH4