{"id":"W3022855257","doi":"10.1038/s41467-020-15782-z","title":"Building and identifying highly active oxygenated groups in carbon materials for oxygen reduction to H2O2","year":2020,"lang":"en","type":"article","venue":"Nature Communications","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":549,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Calgary","funders":"National Research Foundation of Korea; National Research Foundation; Canada First Research Excellence Fund; University of Calgary","keywords":"Density functional theory; Quinone; Selectivity; Carbon fibers; Catalysis; Anthraquinone; Basal plane; Chemistry; Yield (engineering); Nanostructure; Materials science; Nanotechnology; Combinatorial chemistry; Organic chemistry; Computational chemistry; Crystallography","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":[0.0002678351,0.0001480912,0.0002069274,0.0001962962,0.0001647833,0.00004991344,0.0005969284,0.0002597843,0.000004550271],"category_scores_gemma":[0.0005386965,0.0001640527,0.00003689052,0.0006299525,0.00003525882,0.0001969781,0.0003426872,0.0003995174,0.000003897987],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002967792,"about_ca_system_score_gemma":0.00004262099,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007830184,"about_ca_topic_score_gemma":0.001598794,"domain_scores_codex":[0.9989025,0.0001255001,0.0002611568,0.0003090502,0.0001782536,0.0002235187],"domain_scores_gemma":[0.9987621,0.0001147138,0.0001036994,0.0006413464,0.0002794598,0.00009863392],"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":[0.0001215825,0.00002451927,0.00001520631,0.00002161331,0.00004217006,5.321334e-7,0.00109048,0.0001407185,0.9523473,0.04412883,0.0003212309,0.001745837],"study_design_scores_gemma":[0.001013632,0.0001084512,0.00214583,0.00008882864,0.0000738274,0.000009551749,0.0006133365,0.001595138,0.9610205,0.002657223,0.03028087,0.0003927563],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9829068,0.001022954,0.0001594446,0.01426498,0.0002280142,0.0004781501,0.00001072289,0.0001581198,0.0007708829],"genre_scores_gemma":[0.9912215,0.0001511254,0.007667893,0.0005035381,0.00009852252,0.0001373175,0.0001580518,0.00003784329,0.00002415775],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04147161,"threshold_uncertainty_score":0.6689875,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02255514530330658,"score_gpt":0.2888800556365875,"score_spread":0.2663249103332809,"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."}}