{"id":"W1982977545","doi":"10.1039/c1cp21168d","title":"Interactions of the N3 dye with the iodide redox shuttle: quantum chemical mechanistic studies of the dye regeneration in the dye-sensitized solar cell","year":2011,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"TiO2 Photocatalysis and Solar Cells","field":"Energy","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Manitoba","funders":"","keywords":"Triiodide; Dye-sensitized solar cell; Iodide; Chemistry; Redox; Photochemistry; Exothermic reaction; Density functional theory; Physical chemistry; Computational chemistry; Inorganic chemistry; Organic chemistry; Electrolyte","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":[0.0003698349,0.0001892619,0.0002761268,0.0001324882,0.0003923777,0.0002602653,0.0006451664,0.0005228115,0.00145369],"category_scores_gemma":[0.0003269438,0.000132115,0.000258783,0.000150071,0.0004550436,0.0006164884,0.0002204613,0.0005460612,0.000181818],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007707308,"about_ca_system_score_gemma":0.0003005281,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003017605,"about_ca_topic_score_gemma":0.003003148,"domain_scores_codex":[0.9998757,0.00002422042,0.000003728735,0.00002083823,0.00005076104,0.00002480931],"domain_scores_gemma":[0.999907,0.00005796859,0.00001128682,0.000005687105,0.0000112943,0.000006623717],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0003899407,0.0002728874,0.0009047683,0.0004925196,0.00003023904,0.0003370242,0.0003319047,0.009211389,0.9698167,0.009597142,0.0002126281,0.008402778],"study_design_scores_gemma":[0.00005041324,0.0004629063,0.001916459,0.00001705766,0.0000206772,0.0001554873,0.000116303,0.04200632,0.9515634,0.001706957,0.001955469,0.00002855498],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9889016,0.001650132,0.004974807,0.0001598357,0.00001343868,0.00003145935,0.0000490627,0.00002167434,0.004198044],"genre_scores_gemma":[0.9960848,0.0008422827,0.001835068,0.00004431892,0.000004688639,0.0000148966,0.00003340611,0.000007567293,0.001132964],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003017605,"threshold_uncertainty_score":0.006000102,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02606105750089379,"score_gpt":0.2390251212147909,"score_spread":0.2129640637138971,"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."}}