{"id":"W4409500007","doi":"10.1016/j.poly.2025.117548","title":"Chemical modifications of ruthenium- TiO2 sensitizers: implications for electron transfer and light harvesting in DSSCs via computational approach","year":2025,"lang":"en","type":"article","venue":"Polyhedron","topic":"TiO2 Photocatalysis and Solar Cells","field":"Energy","cited_by":1,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Shahid Chamran University of Ahvaz; University of Manitoba","keywords":"Chemistry; Ruthenium; Electron transfer; Photochemistry; Dye-sensitized solar cell; Combinatorial chemistry; Nanotechnology; Catalysis; Organic chemistry; Physical chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"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":[0.0001379533,0.0001082107,0.0002005656,0.0001432295,0.00007084299,0.00002123777,0.00008895392,0.00008642559,0.000003492898],"category_scores_gemma":[0.00002430169,0.0001132953,0.00007164983,0.0002831071,0.00004046648,0.00006884881,0.00001461872,0.00009128045,0.00000146656],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000478514,"about_ca_system_score_gemma":0.00004930434,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003295414,"about_ca_topic_score_gemma":0.00007236195,"domain_scores_codex":[0.9991436,0.00003257002,0.0003232549,0.0002553817,0.0000655571,0.0001796156],"domain_scores_gemma":[0.9995384,0.0001409314,0.00003836983,0.0001798566,0.00006393928,0.00003851034],"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":[0.0000434449,0.0002158612,0.000689888,0.00009972681,0.00006397834,8.139659e-8,0.0005687731,0.005596228,0.814935,0.1718933,0.0001075191,0.00578623],"study_design_scores_gemma":[0.003353753,0.00008308391,0.02734301,0.0001028568,0.0003071097,0.00001795105,0.0002583663,0.2310481,0.6801018,0.05086538,0.005813019,0.0007055969],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6470442,0.0004405704,0.3298059,0.00175592,0.00003795377,0.0008090174,0.0000616942,0.00007377389,0.01997099],"genre_scores_gemma":[0.9940439,0.000006249909,0.005095104,0.00005845484,0.00002218131,0.000125609,0.0001837686,0.00001324491,0.0004514541],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3469998,"threshold_uncertainty_score":0.4620047,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01424098495500111,"score_gpt":0.2565393483598084,"score_spread":0.2422983634048072,"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."}}