{"id":"W4413095588","doi":"10.1016/j.jpcs.2025.113051","title":"Study the effect of functional groups on the oxygen reduction reaction (ORR) of graphyne as a promising electrocatalyst in protons exchange membrane fuel cell","year":2025,"lang":"en","type":"article","venue":"Journal of Physics and Chemistry of Solids","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":2,"is_retracted":false,"has_abstract":false,"ca_institutions":"Lockheed Martin (Canada)","funders":"King Saud University","keywords":"Electrocatalyst; Oxygen reduction reaction; Graphyne; Reduction (mathematics); Chemistry; Fuel cells; Proton exchange membrane fuel cell; Oxygen reduction; Oxygen; Membrane; Materials science; Chemical engineering; Electrode; Density functional theory; Computational chemistry; Physical chemistry; Electrochemistry; Organic chemistry; Engineering","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":[0.0001221812,0.0002509218,0.000148089,0.00008996714,0.00008936774,0.0001601094,0.0002681357,0.0002520298,0.001138498],"category_scores_gemma":[0.0001869426,0.0000957813,0.0001898816,0.00008963163,0.0001219239,0.0003052191,0.00009896107,0.0003080818,0.0002064701],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001365658,"about_ca_system_score_gemma":0.00007904173,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006541605,"about_ca_topic_score_gemma":0.001207622,"domain_scores_codex":[0.9999237,0.000009056738,0.000003788308,0.00001933059,0.00002381559,0.00002026626],"domain_scores_gemma":[0.999938,0.00001710692,0.00001732001,0.000006010141,0.00001446846,0.000007180969],"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":[0.0001412284,0.00005704822,0.0001107671,0.0001071614,0.00001216403,0.00004744828,0.00002857686,0.000182026,0.9969134,0.0001366393,0.00005848831,0.002205094],"study_design_scores_gemma":[0.00000866721,0.0005905948,0.0008690033,0.000005104445,0.00002164119,0.00003723011,0.00001974646,0.0009100101,0.9963649,0.00001873125,0.001147793,0.000006623192],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972204,0.000925572,0.0005718401,0.00006114353,0.00002611531,0.00001266378,0.00006105752,0.00001316304,0.001108003],"genre_scores_gemma":[0.9972818,0.0006697007,0.0006456634,0.00003156154,0.000006983656,0.000007344463,0.00005727305,0.000008831975,0.001290771],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001138498,"threshold_uncertainty_score":0.003808677,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007045923308658752,"score_gpt":0.223235317314879,"score_spread":0.2161893940062203,"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."}}