Dataset for "Aliovalent Doping of SrTiO3 for Photocatalytic Pollutant Remediation"
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Supporting Dataset for "Aliovalent Doping of SrTiO3 for Photocatalytic Pollutant Remediation" Jack D. Evans, 2025 Contains doping analysis and optimisations using a foundational machine learned potential (uma-s-1p1) employed by the FAIRChem calculator and subsequently surface generation using Pymatgen.
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Zenodo创建时间：
2025-08-04
