{"id":"W2981749076","doi":"10.1039/c9cp04511b","title":"Side chain effect on conjugated polymer/fullerene interfaces in organic solar cells: a DFT study","year":2019,"lang":"en","type":"article","venue":"Physical Chemistry Chemical Physics","topic":"Organic Electronics and Photovoltaics","field":"Engineering","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Memorial University of Newfoundland","funders":"King Abdulaziz University","keywords":"Fullerene; Branching (polymer chemistry); Conjugated system; Monomer; Polymer; Organic solar cell; Side chain; Materials science; Chemical physics; Chemistry; Computational chemistry; Polymer chemistry; Organic chemistry","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":[0.0001105755,0.0003778074,0.0004267669,0.0004583574,0.0003933348,0.0003529739,0.0004302153,0.0006108141,0.005530429],"category_scores_gemma":[0.0002108447,0.0001564911,0.0003104998,0.0004098428,0.0002395626,0.0003482405,0.0002391657,0.0003008219,0.0003217919],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003477658,"about_ca_system_score_gemma":0.0003218106,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005656869,"about_ca_topic_score_gemma":0.01140586,"domain_scores_codex":[0.999949,0.000007479431,0.000001935662,0.00000493294,0.00001680905,0.00001991252],"domain_scores_gemma":[0.9999292,0.00003662155,0.000007009899,0.00000603456,0.00001278123,0.000008369228],"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":[0.0007970112,0.0007606433,0.01144727,0.001685851,0.000300816,0.002584687,0.0003062811,0.7356167,0.1564852,0.04195695,0.002593357,0.04546508],"study_design_scores_gemma":[0.00008540048,0.0003545409,0.006651,0.00009653906,0.0001424833,0.000126504,0.000197435,0.9661109,0.02053097,0.003980495,0.001695756,0.00002791558],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9855552,0.0009439611,0.002255976,0.0001284993,0.0000208587,0.00001451685,0.0001509412,0.00002753716,0.01090251],"genre_scores_gemma":[0.9974574,0.0005407667,0.0005829188,0.00002924127,0.000007154068,0.00001726667,0.00009491498,0.00000838459,0.001261989],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005656869,"threshold_uncertainty_score":0.0185011,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.003669307730163774,"score_gpt":0.1961221389566825,"score_spread":0.1924528312265187,"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."}}