{"id":"W4410904688","doi":"10.5267/j.ccl.2025.2.006","title":"Enhancing the electronic and optical performance of dye-sensitized solar cells with alizarin-based dyes: DFT/TDDFT investigations","year":2025,"lang":"en","type":"article","venue":"Current Chemistry Letters","topic":"TiO2 Photocatalysis and Solar Cells","field":"Energy","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Time-dependent density functional theory; Chemistry; ALIZARIN RED; Alizarin; Dye-sensitized solar cell; Photochemistry; Density functional theory; Computational chemistry; Nuclear chemistry; Physical chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002894207,0.00048822,0.0005756782,0.0003410648,0.0003559288,0.0003343965,0.0009355364,0.0006399159,0.00158507],"category_scores_gemma":[0.0003752627,0.0002342736,0.0004790766,0.0004937921,0.0002453898,0.0005178487,0.0002969098,0.0006920245,0.0002336216],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006087056,"about_ca_system_score_gemma":0.0003568483,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003042278,"about_ca_topic_score_gemma":0.003824951,"domain_scores_codex":[0.9998919,0.00001305147,0.000006844315,0.00001132204,0.00005426221,0.00002272024],"domain_scores_gemma":[0.9999043,0.00004112272,0.00000654296,0.00001016281,0.00003312952,0.000004714835],"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":[0.0003659382,0.0005070572,0.004439004,0.001906626,0.0001895582,0.001351778,0.0003558341,0.5650317,0.3340667,0.02661506,0.002523386,0.06264734],"study_design_scores_gemma":[0.00002448762,0.0001488695,0.001409224,0.00003652534,0.00003794837,0.00008316344,0.00009096442,0.943144,0.05204165,0.001438041,0.001518554,0.00002656254],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9720819,0.00198186,0.01685051,0.0002676938,0.00006319572,0.00003804012,0.000504784,0.0001543215,0.008057642],"genre_scores_gemma":[0.9891928,0.001236073,0.00842388,0.00004781535,0.000008681379,0.00005550826,0.0003518988,0.0000270308,0.0006561732],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003042278,"threshold_uncertainty_score":0.006049156,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005340034277920962,"score_gpt":0.2053482945128872,"score_spread":0.2000082602349663,"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."}}