{"id":"W4288908978","doi":"10.1039/d2cp02075k","title":"Reaction-intermediate-induced atomic mobility in heterogeneous metal catalysts for electrochemical reduction of CO<sub>2</sub>","year":2022,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"CO2 Reduction Techniques and Catalysts","field":"Energy","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Guelph; University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Electrocatalyst; Catalysis; Electrochemistry; Chemistry; Density functional theory; Electrolysis; Metal; Redox; Transition metal; Reaction mechanism; Molecular dynamics; Computational chemistry; Inorganic chemistry; Physical chemistry; Electrode; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001974876,0.0002868648,0.0003389856,0.00019319,0.0003140326,0.0005049295,0.0007392621,0.0003598867,0.001526252],"category_scores_gemma":[0.0007461285,0.0001831813,0.0001698734,0.0001289328,0.0004575619,0.0005569038,0.000300315,0.00051661,0.0002313849],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005109705,"about_ca_system_score_gemma":0.0002222343,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006422997,"about_ca_topic_score_gemma":0.001089963,"domain_scores_codex":[0.9998761,0.00001344194,0.000007352327,0.00003054823,0.00004498566,0.00002750052],"domain_scores_gemma":[0.9998228,0.00007253955,0.00003403705,0.00002510136,0.00003484594,0.00001073332],"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":[0.0002268578,0.00004313069,0.0009462396,0.0001280759,0.00001853332,0.0002210532,0.0001916635,0.0005347588,0.9876161,0.005038539,0.0001437134,0.00489136],"study_design_scores_gemma":[0.00001399621,0.0001193829,0.002353344,0.000005097422,0.00001549974,0.0001404616,0.0001127069,0.005918513,0.9895415,0.0004830167,0.001287887,0.00000866489],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9882073,0.0006124427,0.007120162,0.0001125741,0.00005060165,0.00004787196,0.000135957,0.0001937243,0.003519345],"genre_scores_gemma":[0.9983038,0.00008618991,0.001043548,0.000007657584,0.000004304201,0.0000124313,0.00004471589,0.00001158508,0.0004858416],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001526252,"threshold_uncertainty_score":0.005105853,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01127439190377033,"score_gpt":0.25379784241964,"score_spread":0.2425234505158697,"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."}}