{"id":"W3091252630","doi":"10.1139/cjp-2020-0284","title":"The effects of Sc doping and O vacancy on the electronic states and optical properties of m-BiVO<sub>4</sub>","year":2020,"lang":"en","type":"article","venue":"Canadian Journal of Physics","topic":"Advanced Photocatalysis Techniques","field":"Energy","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Fundamental Research Funds for the Central Universities; Shaanxi Normal University; Natural Science Foundation of Shaanxi Province; National Natural Science Foundation of China","keywords":"Physics; Ideal (ethics); Band gap; Doping; Vacancy defect; Density functional theory; Semiconductor; Hybrid functional; Crystallography; Atomic physics; Condensed matter physics; Optoelectronics; Chemistry; Quantum mechanics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001567909,0.0002929245,0.0002436876,0.0002718476,0.0002823895,0.0003653394,0.0003567077,0.0002596403,0.001254882],"category_scores_gemma":[0.0003710358,0.0002126798,0.0002735847,0.0002769246,0.0003459723,0.0002301865,0.0002860113,0.0002769769,0.0001557829],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002156638,"about_ca_system_score_gemma":0.0001849455,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001139786,"about_ca_topic_score_gemma":0.002062204,"domain_scores_codex":[0.9999173,0.0000144917,0.000004551145,0.000009556133,0.00003371852,0.00002040701],"domain_scores_gemma":[0.9998776,0.00004678659,0.00002965587,0.00000906459,0.00002569779,0.00001116686],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0006343903,0.00007324122,0.007072364,0.000606365,0.00008411486,0.0004051008,0.000147897,0.02202593,0.9504396,0.005777495,0.0006053942,0.01212817],"study_design_scores_gemma":[0.00006749629,0.0008176436,0.02016337,0.00008206754,0.0001440299,0.0003468477,0.0004908863,0.2006514,0.7700488,0.002590077,0.004517916,0.00007953234],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9960909,0.0004235067,0.0008426965,0.00005677633,0.00001557567,0.000004000899,0.00006209253,0.0000280595,0.002476266],"genre_scores_gemma":[0.9983543,0.0002618881,0.0009151192,0.00002222473,0.000002208552,0.000005396583,0.00007413338,0.00001411036,0.000350606],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001254882,"threshold_uncertainty_score":0.004198015,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008638697240134415,"score_gpt":0.2001117142846975,"score_spread":0.1914730170445631,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}