{"id":"W2344953840","doi":"10.1021/acs.jpcc.5b11150","title":"Optimizing the Performance of Multilayered Organic Polymer Devices Using Computational Dimer Approach—A Case Study","year":2015,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry C","topic":"Organic Electronics and Photovoltaics","field":"Engineering","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"","keywords":"Triphenylamine; OLED; Materials science; Fluorene; HOMO/LUMO; Polymer; Copolymer; Density functional theory; Conjugated system; Oxadiazole; Monomer; Intermolecular force; Polyfluorene; Chemical physics; Computational chemistry; Polymer chemistry; Nanotechnology; Molecule; Chemistry; Organic chemistry; Composite material; Layer (electronics)","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":[0.0003674657,0.0005012715,0.000743428,0.0004403902,0.0003705796,0.0007015196,0.0008552558,0.0008464968,0.002071833],"category_scores_gemma":[0.0005379415,0.0003199949,0.0005944499,0.0004749233,0.0002143869,0.0005423478,0.0004650863,0.000499032,0.0001940817],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006197657,"about_ca_system_score_gemma":0.0004429849,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002323587,"about_ca_topic_score_gemma":0.002196522,"domain_scores_codex":[0.9998721,0.00003216022,0.000005539949,0.00001841094,0.00003307466,0.00003878742],"domain_scores_gemma":[0.9997508,0.0001380336,0.00002400372,0.00002289437,0.00004676433,0.00001758541],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0001698433,0.0001862428,0.001607151,0.0003509268,0.00007967476,0.0004321128,0.00006057592,0.961096,0.02235352,0.003387091,0.0005140224,0.009762784],"study_design_scores_gemma":[0.00001606345,0.0001234683,0.0002826737,0.000008550996,0.0000223945,0.00003528217,0.00002687299,0.9899567,0.008469704,0.0004994819,0.0005494788,0.000009233936],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9620037,0.001950189,0.02365565,0.0003297309,0.00002867303,0.00004710068,0.0003203643,0.0001741809,0.01149043],"genre_scores_gemma":[0.9848247,0.0003843287,0.01322023,0.00002469118,0.000007441211,0.00002850286,0.00009788739,0.00002373201,0.001388508],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002323587,"threshold_uncertainty_score":0.006930947,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0209263322713594,"score_gpt":0.2431187523955475,"score_spread":0.2221924201241881,"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."}}