{"id":"W4404436420","doi":"10.1021/acscatal.4c04745","title":"Thermochemical Correlations of Redox and Brønsted Sites on Bifunctional Polyoxometalate Clusters and Their Kinetic Consequences in Methanol-O<sub>2</sub> Catalysis","year":2024,"lang":"en","type":"article","venue":"ACS Catalysis","topic":"Polyoxometalates: Synthesis and Applications","field":"Materials Science","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Natural Sciences and Engineering Research Council of Canada; Suncor Energy Incorporated","keywords":"Polyoxometalate; Bifunctional; Catalysis; Redox; Methanol; Chemistry; Kinetic energy; Brønsted–Lowry acid–base theory; Electrocatalyst; Inorganic chemistry; Physical chemistry; Electrochemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00041978,0.0002336457,0.000418569,0.0005400553,0.0001169872,0.0001071883,0.0001741522,0.0001140688,0.00008338282],"category_scores_gemma":[0.0001488624,0.0001802867,0.0001125979,0.001147937,0.0006381961,0.0002127651,0.0001048039,0.0001350854,0.00004243772],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003882717,"about_ca_system_score_gemma":0.00005137302,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001555768,"about_ca_topic_score_gemma":0.00005810857,"domain_scores_codex":[0.9984183,0.00008780246,0.0004641276,0.0005633808,0.0002235472,0.0002427914],"domain_scores_gemma":[0.9985108,0.0008631388,0.0001273334,0.0003531834,0.00004739974,0.00009816089],"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":[0.00001424325,0.00006107208,0.0006173648,0.00003295143,0.000109274,0.000002518687,0.0004798868,0.00006117966,0.9945533,0.0006710146,0.0000328936,0.003364321],"study_design_scores_gemma":[0.0001344412,0.0000343057,0.004494007,0.00008687839,0.0002539671,0.00002408362,0.0002024961,0.001993584,0.9913939,0.001100133,0.00007872274,0.0002034508],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9962512,0.002214882,0.0001465342,0.0007449774,0.00006017854,0.0001652879,0.0001155299,0.00006640783,0.0002350232],"genre_scores_gemma":[0.9991636,0.0003113936,0.0001645018,0.00004934549,0.00002695193,0.0000725953,0.0001365537,0.00002055573,0.00005445167],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003876642,"threshold_uncertainty_score":0.7351879,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01370004343864867,"score_gpt":0.2317949271509014,"score_spread":0.2180948837122527,"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."}}