Journal
ACS APPLIED ENERGY MATERIALS
Volume 3, Issue 5, Pages 4610-4618Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acsaem.0c00273
Keywords
g-C3N4/BiOCl; heterostructures; oxygen vacancy; interfacial interaction; photocatalysis; density functional theory calculations
Funding
- National Natural Science Foundation of China [U1862111]
- Sichuan Provincial International Cooperation Project [2019YFH0164]
- International Collaboration Project of Chengdu City [2017-GH02-00014-HZ]
- Cheung Kong Scholars Program of China
- National Supercomputing Center in Shenzhen
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The CO2 conversion by photocatalysis has been a focus of global concern as yet, and the exploring of efficient heterostructures is critical to promote the photocatalytic performance. However, the weak interface contact largely limits the photogenerated carrier transfer and restrains the activities of heterostructures. In this work, two-dimensional (2D) g-C3N4/BiOCl heterostructures were exemplified to demonstrate a facile strategy of interfacial oxygen vacancies (IOVs) with enhanced interfacial interaction to promote the photocatalytic conversion of CO2. Both experimental results and density functional theory calculations determined that the IOVs can provide a transport channel for the interfacial carriers, leading to a built-in electric field from g-C3N4 to BiOCl and a Z-scheme type for IOVs-introduced g-C3N4/BiOCl heterostructures, which largely promoted the photogenerated carrier transfer efficiency. This further induced the generation of more electrons to participate in the surface reactions and significantly reduced the energy barriers for the CO2 reduction, especially facilitating the decomposition of intermediate COOH into CO. As a result, the photocatalytic activity of IOVs-introduced g-C3N4/BiOCl heterostructure for the conversion of CO2 to CO was enhanced by 1.6 times compared to pristine g-C3N4/BiOCl. This work could provide insights into the important role of oxygen vacancies in boosting the reduction activity of CO2 for the heterojunctions and provide a facile route for designing highly efficient 2D heterostructures in the field of photocatalysis.
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