Proceedings of MATSUS Spring 2024 Conference (MATSUS24)
Publication date: 18th December 2023
Direct Z-scheme heterojunctions named after their charge transfer mechanism, use sunlight to conduct various photocatalytic reactions, similar to photosynthesis in plants. It is a promising candidate that can be used for CO2 reduction reactions [1]. Solar cell simulation techniques can be used to obtain material properties and insights into the electronic characteristics of these materials. By solving semiconductor differential equations that model the behavior of semiconductors under different light intensities and applied biases, the solar cell simulator program (SCAPS) can evaluate the energy band edges, carrier concentrations, and output characteristics of the device. In this study, various materials are simulated that could be used as direct Z-scheme junctions that can reduce CO2 to methanol. These materials are modelled direct Z-scheme junctions in SCAPS by simulating the Shockley Read Hall (SRH) recombination using defect densities at the interface of the recombination junction (RJ) [2]. An initial screening methodology of Z-scheme junctions that can conduct the CO2 reduction to methanol is presented.
The authors would like to acknowledge Catalisti VLAIO (Vlaanderen Agentschap Innoveren & Ondernemen) for their funding through the Moonshot SYN-CAT project (HBC.2020.2614). The funder played no role in the study design, data collection, analysis, and interpretation of data, or the writing of this manuscript. The cooperation of the consortium partners is acknowledged and appreciated.
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