{"id":"W4410904490","doi":"10.18280/acsm.490210","title":"A DFT Investigation of the Thermoelectric Properties of Ca-Doped Bi₂O₂ and Cu₂Se₂ Layers with Respect to the Thermoelectric Performance of BiCuSeO","year":2025,"lang":"en","type":"article","venue":"Annales de Chimie Science des Matériaux","topic":"Advanced Thermoelectric Materials and Devices","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Thermoelectric effect; Materials science; Doping; Thermoelectric materials; Condensed matter physics; Engineering physics; Thermodynamics; Optoelectronics; Physics","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001409444,0.0001940167,0.0003239274,0.000297587,0.0003886014,0.00007378179,0.0009601425,0.00004272507,0.0000284298],"category_scores_gemma":[0.0002555007,0.00009454331,0.00004519893,0.002279848,0.001670539,0.0003165597,0.0001777471,0.00009580678,0.00000470897],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006244508,"about_ca_system_score_gemma":0.0007557101,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002461286,"about_ca_topic_score_gemma":0.00007909238,"domain_scores_codex":[0.9981262,0.0001724826,0.0004295652,0.0003499301,0.0004928748,0.0004289628],"domain_scores_gemma":[0.9985784,0.0001109202,0.0003819979,0.0005101331,0.0003501063,0.00006843967],"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":[0.0002496095,0.00002217095,0.003011844,0.0002138837,0.00001255585,2.673266e-7,0.001576361,0.0007817873,0.9913851,0.0009384722,0.00002218309,0.001785764],"study_design_scores_gemma":[0.0001943701,0.0003422398,0.0493495,0.0002932472,0.00003401069,0.00001152101,0.0002088781,0.001893909,0.9467803,0.0007354402,0.00003786479,0.0001187028],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970929,0.00107785,0.0002508747,0.0003848254,0.00007780642,0.0005324372,0.000008380831,0.00002294085,0.0005519573],"genre_scores_gemma":[0.9986498,0.0002134432,0.0007661676,0.0001963998,0.00001970677,0.00003738231,2.720037e-7,0.00001202077,0.0001048152],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04633765,"threshold_uncertainty_score":0.6155171,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01997691707973301,"score_gpt":0.2369068037261542,"score_spread":0.2169298866464212,"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."}}