{"paper":{"title":"Electronic structure and enhanced visible light absorption of N, B-codoped TiO2","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":["physics.chem-ph"],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Jiulin Du, Meili Guo, Xiao-Dong Zhang","submitted_at":"2012-03-04T03:22:24Z","abstract_excerpt":"We present the GGA+U calculations to investigate the electronic structure and visible light absorption of the N, B-codoped anatase TiO2. The NsBi (substitutional N, interstitial B) codoped TiO2 produces significant Ti 3d and N 2p mid-gap states when the distance of N and B atoms is far, and the NiBi (interstitial N and B) and NsBs (substitutional N and B) codoped TiO2 prefer to form localized p states at 0.3-1.2 eV above the valence band maximum. Further, the optical band edges of the three codoped systems shift slightly to the visible region, but only the far distance NsBi codoped TiO2 shows "},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1203.0702","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"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"}