{"id":"W3000014122","doi":"10.1039/c9cp05349b","title":"The effect of coordination environment on the kinetic and thermodynamic stability of single-atom iron catalysts","year":2020,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":59,"is_retracted":false,"has_abstract":true,"ca_institutions":"Calgary Laboratory Services; University of Calgary","funders":"Natural Science Foundation of Beijing Municipality; Natural Science Foundation of Hebei Province; National Natural Science Foundation of China","keywords":"Catalysis; Atom (system on chip); Kinetic energy; Chemical stability; Chemistry; Materials science; Chemical engineering; Physical chemistry; Crystallography; Organic chemistry; Physics; Computer science","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":[0.0002337961,0.0002609275,0.0002028918,0.0001790283,0.0003001848,0.0004916769,0.0002896771,0.0001703717,0.0018022],"category_scores_gemma":[0.0006086158,0.0001861695,0.00008941488,0.0001302479,0.0002858328,0.000271369,0.0001566927,0.0001950222,0.0002244191],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000449903,"about_ca_system_score_gemma":0.00031288,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00227258,"about_ca_topic_score_gemma":0.003831381,"domain_scores_codex":[0.9998378,0.00001957974,0.00001349504,0.00004637516,0.00004502677,0.00003772485],"domain_scores_gemma":[0.9998009,0.00008375361,0.00003085816,0.00001710449,0.00003541031,0.00003201683],"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":[0.001210913,0.00006396543,0.001869678,0.0001291705,0.00003140433,0.0001460542,0.00008009623,0.003918022,0.9821331,0.001637863,0.0005133303,0.008266366],"study_design_scores_gemma":[0.00002129284,0.0001807985,0.003096438,0.000007544076,0.00002000071,0.00009009908,0.00004850465,0.01049856,0.9846612,0.000203648,0.001154494,0.00001755317],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969738,0.0003647675,0.0004814224,0.00006061096,0.00001198473,0.000005454804,0.00008176359,0.00002555585,0.001994671],"genre_scores_gemma":[0.9992874,0.0001065387,0.0002209904,0.000006238532,0.000003085836,0.000003311232,0.00004933977,0.00001152183,0.0003115721],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00227258,"threshold_uncertainty_score":0.00602895,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006853072555529426,"score_gpt":0.1896511594473437,"score_spread":0.1827980868918143,"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."}}