{"id":"W4406151826","doi":"10.1016/j.orgel.2025.107195","title":"Energy gap and orbital mixing in DNTT/PTCDI-C8 heterostructure","year":2025,"lang":"en","type":"article","venue":"Organic Electronics","topic":"Diamond and Carbon-based Materials Research","field":"Materials Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada; National Research Foundation of Korea","keywords":"Heterojunction; Mixing (physics); Band gap; Optoelectronics; Materials science; Chemistry; HOMO/LUMO; Photochemistry; Physics; Molecule; Quantum mechanics; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.00006862995,0.000127025,0.0001064275,0.0001613304,0.0002026961,0.000294698,0.0002974374,0.0002895068,0.0009511608],"category_scores_gemma":[0.000180632,0.0001080441,0.0001143154,0.0002214897,0.0002108051,0.0001826065,0.0001110504,0.0001436923,0.0000785677],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006186754,"about_ca_system_score_gemma":0.0003524097,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.004716117,"about_ca_topic_score_gemma":0.004365146,"domain_scores_codex":[0.9999679,0.000002783108,0.000001449854,0.000004830547,0.00001602758,0.000007084266],"domain_scores_gemma":[0.9999425,0.00002595933,0.00001006023,0.00000544593,0.000009954081,0.000006060727],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002563643,0.0001082978,0.005890974,0.0002593944,0.00004703666,0.001001525,0.0001768154,0.5728499,0.4002124,0.01169402,0.0006486854,0.006854454],"study_design_scores_gemma":[0.00002197325,0.00008752532,0.002355284,0.00001688396,0.00001550268,0.00009066229,0.00005877943,0.9207703,0.07507566,0.0007713938,0.0007241074,0.00001188369],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9923038,0.0001215917,0.003339546,0.00005633405,0.000009884608,0.000006747869,0.0001381369,0.0000418657,0.003982054],"genre_scores_gemma":[0.9978316,0.00006839504,0.001545786,0.000007093781,7.307102e-7,0.000007497236,0.00006230172,0.000007277126,0.0004692779],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004716117,"threshold_uncertainty_score":0.00937736,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004785409278004311,"score_gpt":0.2316637983987602,"score_spread":0.2268783891207559,"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."}}