Transforming materials discovery for artificial photosynthesis: High-throughput screening of earth-abundant semiconductors

• Published in: Journal of applied physics Vol. 134; no. 23
• Main Authors: Stafford, Sean M., Aduenko, Alexander, Djokic, Marcus, Lin, Yu-Hsiu, Mendoza-Cortes, Jose L.
• Format: Journal Article
• Language: English
• Published: Melville American Institute of Physics 21.12.2023
• Subjects: Algorithms; Aqueous solutions; Chemical fuels; Crystal structure; Hydrogen evolution reactions; Oxidation resistance; Oxygen evolution reactions; Photosynthesis; Physical properties; Water splitting; Workflow

We present a highly efficient workflow for designing semiconductor structures with specific physical properties, which can be utilized for a range of applications, including photocatalytic water splitting. Our algorithm generates candidate structures composed of earth-abundant elements that exhibit...