{"id":"W4294414806","doi":"10.1002/cjce.24639","title":"Electronic structures and photophysical properties of carbazole‐ and thiophene‐based organic compounds used as hole‐injecting layer for organic light‐emitting diodes (<scp>OLEDs</scp>)","year":2022,"lang":"en","type":"article","venue":"The Canadian Journal of Chemical Engineering","topic":"Organic Light-Emitting Diodes Research","field":"Engineering","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"OLED; HOMO/LUMO; Carbazole; Density functional theory; Photoluminescence; Polarizable continuum model; Molecular orbital; Band gap; Thiophene; Chemistry; Electroluminescence; Materials science; Diode; Optoelectronics; Polarizability; Computational chemistry; Photochemistry; Molecule; Layer (electronics); Organic 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":[0.00007651508,0.0001438449,0.00008224533,0.0002299145,0.0002244328,0.0001890435,0.0002173373,0.00024712,0.00156127],"category_scores_gemma":[0.0001395559,0.00006578354,0.0001715275,0.0001934226,0.0001647983,0.0001112561,0.00007437983,0.0001122314,0.0001017357],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002746031,"about_ca_system_score_gemma":0.00012564,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001478796,"about_ca_topic_score_gemma":0.001592826,"domain_scores_codex":[0.999966,0.000006089479,0.000001179422,0.000004599925,0.00001431334,0.000007730338],"domain_scores_gemma":[0.9999624,0.00001498613,0.000005644856,0.000003570904,0.00001086963,0.000002540759],"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":[0.0003521902,0.0001372775,0.006966477,0.0005279175,0.00009436967,0.0005076283,0.0001351809,0.03955973,0.9321831,0.006345785,0.0004664343,0.01272392],"study_design_scores_gemma":[0.00008492699,0.00117728,0.02997802,0.00004864604,0.0001448746,0.0003142441,0.0003619119,0.2103138,0.7511024,0.0009627753,0.005486701,0.00002446707],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9972495,0.000308155,0.0007284046,0.00002710224,0.000003024678,0.000004288918,0.00005509136,0.00001007568,0.00161424],"genre_scores_gemma":[0.9989748,0.0001021145,0.0005176952,0.000004621947,7.472019e-7,0.000004527647,0.00006970948,0.000001686222,0.0003241191],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00156127,"threshold_uncertainty_score":0.005223036,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009613234864198137,"score_gpt":0.1952133332525491,"score_spread":0.1856000983883509,"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."}}