{"id":"W3006350088","doi":"10.1016/j.jcis.2020.02.034","title":"Evaluating the catalytic activity of transition metal dimers for the oxygen reduction reaction","year":2020,"lang":"en","type":"article","venue":"Journal of Colloid and Interface Science","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":53,"is_retracted":false,"has_abstract":false,"ca_institutions":"McGill University","funders":"Jiangxi University of Science and Technology; State Key Laboratory of Metastable Materials Science and Technology; Education Department of Jiangxi Province; National Natural Science Foundation of China; ASCRS Research Foundation","keywords":"Overpotential; Catalysis; Transition metal; Adsorption; Density functional theory; Chemistry; Metal; Dimer; Inorganic chemistry; Atom (system on chip); Photochemistry; Physical chemistry; Computational chemistry; Organic chemistry","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":[0.001546873,0.00007006813,0.0001293066,0.00005969213,0.0002667459,0.00003423158,0.0002540796,0.00002414212,0.000004102852],"category_scores_gemma":[0.00035122,0.00003907645,0.00008671251,0.0004271006,0.0002692036,0.0006543106,0.0000247614,0.0001505383,5.779389e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009719705,"about_ca_system_score_gemma":0.0001830401,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001050175,"about_ca_topic_score_gemma":0.00001121961,"domain_scores_codex":[0.9990168,0.00004968129,0.0002236616,0.0001220852,0.0004668333,0.0001209118],"domain_scores_gemma":[0.9990309,0.0001193243,0.0003535508,0.00009470028,0.0003498328,0.00005165946],"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":[0.0003661858,0.00001135857,7.298797e-7,0.000009429988,0.0000322559,3.415786e-8,0.001468325,0.006626673,0.9825691,0.0001339382,0.00004547025,0.008736518],"study_design_scores_gemma":[0.0003127545,0.0009584922,0.0001351922,0.00002278874,0.0001178348,0.00004908122,0.001226855,0.0409788,0.9555735,0.0001104557,0.000468275,0.0000459789],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9913512,0.0002254334,0.003459184,0.004388386,0.0003160822,0.0001158177,5.266703e-7,0.000004813978,0.0001385201],"genre_scores_gemma":[0.9995818,0.00005252256,0.000158607,0.00005011354,0.000102989,0.000002216424,2.014489e-7,0.000004982267,0.00004663017],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03435213,"threshold_uncertainty_score":0.2051621,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0388547992707942,"score_gpt":0.3155709820509391,"score_spread":0.2767161827801449,"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."}}