{"id":"W7115015112","doi":"10.1021/acsaem.5c03241","title":"A Comparative Study of Prussian Blue Analogues as Cathode Materials for Monovalent Lithium/Sodium/Potassium Ion Batteries by First-Principles Calculations","year":2025,"lang":"en","type":"article","venue":"ACS Applied Energy Materials","topic":"Advancements in Battery Materials","field":"Engineering","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Youth Innovation Technology Project of Higher School in Shandong Province; National Natural Science Foundation of China","keywords":"Prussian blue; Cathode; Electrochemistry; Ion; Diffusion; Redox; Transition metal","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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0004776171,0.0005562835,0.001277061,0.0002916713,0.0002336351,0.0001907381,0.0004451533,0.000200075,0.0002449086],"category_scores_gemma":[0.00003895312,0.0005468591,0.0000364867,0.0002644884,0.0001171056,0.0001891491,0.0002255566,0.00005061488,0.0000139985],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002058827,"about_ca_system_score_gemma":0.00004153941,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003349777,"about_ca_topic_score_gemma":0.0001649297,"domain_scores_codex":[0.9970785,0.000126,0.001407413,0.0005656014,0.0003105437,0.0005119426],"domain_scores_gemma":[0.9985554,0.0002063237,0.0003440959,0.0006965115,0.0001301749,0.00006751981],"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":[0.0002841979,0.0002931016,0.00001512695,0.0003367689,0.0004406372,0.000001334509,0.00162293,0.03051596,0.9486789,0.01422955,0.003537246,0.00004427574],"study_design_scores_gemma":[0.001155246,0.0001401772,0.0004796837,0.00009554801,0.0002090834,0.000001051654,0.0009610774,0.00005876031,0.9852393,0.0008852732,0.01031235,0.0004624712],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9903264,0.00006937461,0.003604942,0.0000791058,0.00183541,0.001349776,0.001643181,0.0002863095,0.0008054883],"genre_scores_gemma":[0.9946986,0.00005581954,0.0009136826,0.0001297617,0.0001530394,0.002688696,0.0009267686,0.00008330578,0.0003503319],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03656041,"threshold_uncertainty_score":0.9996983,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02354118330675948,"score_gpt":0.2748314142606403,"score_spread":0.2512902309538809,"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."}}