{"id":"W7116766895","doi":"10.2139/ssrn.5953663","title":"Band Filling Mediated D-Band Center Shift in Palladium Hydride to Improve Hydrogen Evolution Electrocatalysis","year":2025,"lang":"","type":"preprint","venue":"SSRN Electronic Journal","topic":"Electrocatalysts for Energy Conversion","field":"Energy","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Overpotential; Electrocatalyst; Catalysis; Density functional theory; Hydride; Palladium; Hydrogen; Electrolyte; Iridium","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":[0.00007172635,0.0001941733,0.0001837807,0.0001058704,0.0001446995,0.0003148915,0.0003194919,0.0002621146,0.001195344],"category_scores_gemma":[0.00009174649,0.0001525667,0.0001063845,0.0001390861,0.0001735743,0.000234746,0.0002407066,0.0004658738,0.0003362185],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002469869,"about_ca_system_score_gemma":0.0001219208,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004276011,"about_ca_topic_score_gemma":0.0006850077,"domain_scores_codex":[0.9999409,0.000006112243,0.00000428736,0.00001639222,0.0000156521,0.00001669616],"domain_scores_gemma":[0.9999752,0.000005843116,0.000004311337,0.00000524766,0.000004874783,0.000004479291],"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":[0.0001388222,0.00007847279,0.00009722244,0.0001405563,0.00001209958,0.00005982759,0.00003761071,0.0004729625,0.9860574,0.00136541,0.0004335384,0.01110615],"study_design_scores_gemma":[0.00000784212,0.00007375027,0.0001306764,0.000002149208,0.000006244047,0.00002915221,0.000009396329,0.00154926,0.9967467,0.0001057624,0.001335356,0.000003667722],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9801353,0.001262447,0.01060874,0.000319162,0.0001182372,0.0000336669,0.0001563139,0.0003945942,0.006971571],"genre_scores_gemma":[0.9963434,0.0003095818,0.001628247,0.00005189786,0.000007717555,0.000008630369,0.00005355584,0.00002936306,0.00156753],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001195344,"threshold_uncertainty_score":0.003998816,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004545729188417727,"score_gpt":0.2164615727756403,"score_spread":0.2119158435872225,"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."}}