{"id":"W4200257000","doi":"10.3390/molecules26237370","title":"Non-PGM Electrocatalysts for PEM Fuel Cells: A DFT Study on the Effects of Fluorination of FeNx-Doped and N-Doped Carbon Catalysts","year":2021,"lang":"en","type":"article","venue":"Molecules","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institut National de la Recherche Scientifique","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Moiety; Catalysis; Fluorine; Carbon fibers; Graphene; Metal; Chemistry; Density functional theory; Doping; Inorganic chemistry; Materials science; Nanotechnology; Computational chemistry; Organic chemistry; Composite number","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":[0.0002172495,0.0004951971,0.0007746624,0.0002857701,0.0004176409,0.0003323095,0.0009365634,0.0008473574,0.002161849],"category_scores_gemma":[0.0004280448,0.0002312049,0.0004327214,0.0002190559,0.000327788,0.0003461044,0.0002837264,0.0004167536,0.0001735802],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003915646,"about_ca_system_score_gemma":0.000313377,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003415274,"about_ca_topic_score_gemma":0.00578321,"domain_scores_codex":[0.9999132,0.00002017555,0.00000380353,0.000009429192,0.00003240909,0.00002095648],"domain_scores_gemma":[0.9998828,0.00006793034,0.000007500958,0.00001402208,0.00001842375,0.000009227541],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001117302,0.0008877622,0.009297345,0.003021725,0.0003767903,0.003748626,0.0004234023,0.6730506,0.2098897,0.05009772,0.003285405,0.04480352],"study_design_scores_gemma":[0.00008666665,0.0002869188,0.003507359,0.00004839438,0.00005151176,0.0001364368,0.0001356745,0.9683101,0.02300779,0.003201583,0.001208356,0.00001925544],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9818255,0.001159681,0.008540714,0.0002592223,0.00005143977,0.00002621407,0.0001993209,0.00005709126,0.007880808],"genre_scores_gemma":[0.9966625,0.0003919082,0.002089794,0.00004535801,0.000008584865,0.00003369484,0.0001336156,0.00001016753,0.0006243798],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003415274,"threshold_uncertainty_score":0.00723213,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006597683476912691,"score_gpt":0.2206575631413792,"score_spread":0.2140598796644665,"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."}}