{"paper":{"title":"Quasi-Large Hole Polarons in BiVO4-Implications for Photocatalysis and Solar Energy Conversion","license":"http://creativecommons.org/licenses/by-nc-sa/4.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Taifeng Liu, Zhimeng Hao","submitted_at":"2025-02-15T01:21:14Z","abstract_excerpt":"Bismuth vanadate (BiVO4 BVO) is a promising photocatalyst for solar energy conversion, but its efficiency is limited by small polaron formation. However, some physical properties of BVO deviate from typical small polaron behavior. Using the state-of-the-art first-principles calculations, we demonstrate that BVO forms a quasi-large hole polaron with a radius around 2 nm, resembling free carriers with high mobility. This polaron is stabilized primarily by acoustic phonon modes, creating a shallow trap state near the valence band maximum, which prolongs its lifetime. Simultaneously, it retains a "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"2502.10622","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"integrity":{"clean":true,"summary":{"advisory":0,"critical":0,"by_detector":{},"informational":0},"endpoint":"/pith/2502.10622/integrity.json","findings":[],"available":true,"detectors_run":[],"snapshot_sha256":"c28c3603d3b5d939e8dc4c7e95fa8dfce3d595e45f758748cecf8e644a296938"},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}