{"id":"W3000352235","doi":"10.1021/acs.chemmater.9b04763","title":"Electrostatic Interactions Shape Molecular Organization and Electronic Structure of Organic Semiconductor Blends","year":2020,"lang":"en","type":"article","venue":"Chemistry of Materials","topic":"Organic Electronics and Photovoltaics","field":"Engineering","cited_by":33,"is_retracted":false,"has_abstract":true,"ca_institutions":"Concordia University","funders":"Fonds de recherche du Québec – Nature et technologies; Deutsches Elektronen-Synchrotron; Natural Sciences and Engineering Research Council of Canada; Collaborative Innovation Center of Suzhou Nano Science and Technology; Soochow University; Higher Education Discipline Innovation Project; State Administration of Foreign Experts Affairs; Concordia University; Ministry of Education of the People's Republic of China","keywords":"Chemical physics; Pentacene; Intermolecular force; Organic semiconductor; Molecule; Materials science; Ionization; Semiconductor; Electronic structure; Electrostatics; Chemistry; Nanotechnology; Molecular physics; Computational chemistry; Ion; Optoelectronics; Physical chemistry; 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":"codex-gemma-dda1882f352a","candidate_categories":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.00002516619,0.0001330349,0.0002356253,0.00001322793,0.00001552196,0.00001516797,0.0001049791,0.00007207245,0.001862362],"category_scores_gemma":[0.00005659983,0.0001453605,0.00001596922,0.000189111,0.0000232031,0.00005027443,0.000026738,0.0001091317,0.000001397258],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004040361,"about_ca_system_score_gemma":0.00007802268,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000111909,"about_ca_topic_score_gemma":6.070614e-7,"domain_scores_codex":[0.9993442,0.000008638887,0.000260729,0.0001311624,0.00007659924,0.0001786319],"domain_scores_gemma":[0.9996692,0.00001548391,0.00008343157,0.0001155846,0.00006532159,0.00005099845],"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":[0.000005303246,0.000004666567,0.00002161569,0.0005384464,0.00005825955,5.736937e-7,0.0001766079,0.00004241984,0.9990112,0.00004855308,0.00008011929,0.00001218916],"study_design_scores_gemma":[0.0001632831,0.00003128154,0.00001039282,0.00001625412,0.00004085346,0.0000178459,0.00002711403,0.00014768,0.9990393,0.0002514284,0.0001366161,0.0001179864],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9992431,0.0003426484,0.0000817535,0.00005318,0.00004478949,0.00006891243,0.00007334752,0.00005786703,0.0000343728],"genre_scores_gemma":[0.9995598,0.0001699966,0.0000463703,0.0000273243,0.00004866394,8.483566e-7,0.0000934844,0.00004475137,0.000008762127],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001860965,"threshold_uncertainty_score":0.9990501,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003516701208027722,"score_gpt":0.1836780958852335,"score_spread":0.1801613946772058,"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."}}