{"id":"W3197598900","doi":"10.1021/acs.jpcc.1c05443","title":"Theoretical Study of Oxygen Vacancy on Indium Oxide for Promoted Photothermal Catalytic Water Splitting","year":2021,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Advanced Photocatalysis Techniques","field":"Energy","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Ministry of Education of the People's Republic of China; Natural Science Foundation of Zhejiang Province; National Natural Science Foundation of China","keywords":"Catalysis; Indium; Oxide; Water splitting; Photothermal therapy; Oxygen; Metal; Chemical physics; Density functional theory; Materials science; Photochemistry; Reactivity (psychology); Doping; Vacancy defect; Electron transfer; Oxygen evolution; Transition metal; Chemistry; Inorganic chemistry; Nanotechnology; Physical chemistry; Computational chemistry; Crystallography; Optoelectronics; Photocatalysis","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003140482,0.0006568456,0.000734889,0.0008460025,0.0008775159,0.0006770036,0.001355893,0.00115309,0.003200869],"category_scores_gemma":[0.0004650987,0.0003709815,0.0008995758,0.0005709428,0.0006465856,0.0007369221,0.0005179237,0.0005007161,0.0002495526],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008982517,"about_ca_system_score_gemma":0.001052788,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007851772,"about_ca_topic_score_gemma":0.008241767,"domain_scores_codex":[0.999873,0.00002999719,0.000003242014,0.000009729173,0.00003666726,0.00004723321],"domain_scores_gemma":[0.9998713,0.0000649245,0.00001243597,0.00001068972,0.00002520424,0.00001553889],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001015265,0.0002007885,0.001371397,0.0004639973,0.00006545535,0.00076124,0.0001200057,0.8304216,0.01002389,0.1493598,0.001483215,0.005627139],"study_design_scores_gemma":[0.00001591737,0.00002096821,0.0003002115,0.00001625192,0.00001200464,0.00002475489,0.00004049491,0.9922064,0.0003840975,0.006492735,0.000480224,0.000006013327],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7811778,0.00442929,0.08964001,0.002228111,0.0003213996,0.0001700145,0.0007108879,0.0001601128,0.1211623],"genre_scores_gemma":[0.986517,0.0009699611,0.007556526,0.0001570932,0.00004448089,0.0001287639,0.0001678134,0.00003985918,0.004418639],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007851772,"threshold_uncertainty_score":0.01561213,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00989649223837575,"score_gpt":0.2740927388705058,"score_spread":0.2641962466321301,"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."}}