{"id":"W2038210431","doi":"10.1088/0953-8984/25/8/085501","title":"A DFT +<i>U</i>study of (Rh, Nb)-codoped rutile TiO<sub>2</sub>","year":2013,"lang":"en","type":"article","venue":"Journal of Physics Condensed Matter","topic":"Advanced Photocatalysis Techniques","field":"Energy","cited_by":36,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Rutile; Band gap; Materials science; Doping; Recombination; Density functional theory; Photocatalysis; Electronic structure; Absorption edge; Charge (physics); Atomic physics; Photochemistry; Chemistry; Computational chemistry; Optoelectronics; Catalysis; Physics","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002049466,0.0002806261,0.0007000146,0.0001662159,0.00005789397,0.0000507827,0.0004391938,0.00009077685,0.0004650209],"category_scores_gemma":[0.00003112945,0.0002431681,0.000294189,0.0003213958,0.00009049587,0.0005903044,0.0001168661,0.0004119381,0.0004244092],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000713251,"about_ca_system_score_gemma":0.00005053879,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00013216,"about_ca_topic_score_gemma":0.0000236111,"domain_scores_codex":[0.9978377,0.0001335593,0.0009530818,0.0002239941,0.0005452492,0.0003064736],"domain_scores_gemma":[0.997399,0.0001480364,0.001098308,0.000586113,0.0006438596,0.000124661],"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":[0.0000809239,0.0007725487,0.001189302,0.00003453358,0.0002898758,0.000021047,0.0007723336,0.0003987407,0.9790869,0.0002766454,0.0139514,0.003125753],"study_design_scores_gemma":[0.001724322,0.0004024125,0.002402264,0.00006814155,0.0001687247,0.00003707236,0.0003708497,0.0000634251,0.9738205,0.02021323,0.0004495045,0.0002795414],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9948869,0.00002920021,0.001731309,0.0001184103,0.0001350267,0.0004309186,0.000003843145,0.00004291624,0.002621441],"genre_scores_gemma":[0.9977266,0.000007121074,0.0009877943,0.0006989995,0.0002515626,0.00004504235,0.000004133597,0.00007140223,0.0002073883],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01993659,"threshold_uncertainty_score":0.9916108,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0111856572079349,"score_gpt":0.2429581684274719,"score_spread":0.231772511219537,"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."}}