{"id":"W4206968913","doi":"10.1149/1945-7111/ac4db3","title":"Molecular Dynamics Study of Reaction Conditions at Active Catalyst-Ionomer Interfaces in Polymer Electrolyte Fuel Cells","year":2022,"lang":"en","type":"article","venue":"Journal of The Electrochemical Society","topic":"Fuel Cells and Related Materials","field":"Engineering","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Ballard Power Systems (Canada); Simon Fraser University","funders":"British Columbia Knowledge Development Fund; Natural Sciences and Engineering Research Council of Canada; Mitacs; Canada Research Chairs; Canada Foundation for Innovation; Compute Canada; Ballard Power Systems","keywords":"Ionomer; Electrolyte; Catalysis; Chemical engineering; Polymer; Adsorption; Materials science; Proton exchange membrane fuel cell; Chemical physics; Proton transport; Layer (electronics); Water transport; Molecular dynamics; Chemistry; Electrode; Composite material; Physical chemistry; Membrane; Organic chemistry; Copolymer; Computational chemistry; Water flow","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":[0.0001504921,0.0004112459,0.0003994067,0.0003367007,0.0005097482,0.00041101,0.0005721903,0.0007087482,0.001366686],"category_scores_gemma":[0.0004882563,0.000267274,0.0004473928,0.0003094011,0.0004683749,0.001011315,0.0002557527,0.0006147025,0.0001162574],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0009972388,"about_ca_system_score_gemma":0.0007060562,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009377026,"about_ca_topic_score_gemma":0.005604461,"domain_scores_codex":[0.99994,0.000008686306,0.000002172598,0.00001218972,0.00001722929,0.00001964718],"domain_scores_gemma":[0.999868,0.000065933,0.0000171758,0.000009315638,0.00002172154,0.00001784086],"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":[0.0002025821,0.0002885776,0.005430281,0.00009346852,0.00007710708,0.0002660741,0.0001832478,0.9338773,0.04871316,0.006585869,0.0003287431,0.003953577],"study_design_scores_gemma":[0.00002715871,0.00005181846,0.001268719,0.000004107793,0.000009233108,0.00001145948,0.00002929824,0.9934749,0.004386632,0.0004512638,0.0002753605,0.000009929901],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9883993,0.0002206343,0.007747801,0.000159051,0.00001577211,0.00002863817,0.0002300741,0.00005685048,0.003141806],"genre_scores_gemma":[0.9958619,0.0002137153,0.002912631,0.00003796146,0.000007017337,0.0000422506,0.0002021778,0.00002134088,0.0007010532],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009377026,"threshold_uncertainty_score":0.01864493,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003008433769894909,"score_gpt":0.1945120568923236,"score_spread":0.1915036231224287,"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."}}