{"id":"W4321018137","doi":"10.1126/science.ade3970","title":"Rational design of Lewis base molecules for stable and efficient inverted perovskite solar cells","year":2023,"lang":"en","type":"article","venue":"Science","topic":"Perovskite Materials and Applications","field":"Engineering","cited_by":622,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Lawrence Berkeley National Laboratory; U.S. Air Force; Air Force Research Laboratory; Division of Materials Research; Center for Hybrid Organic Inorganic Semiconductors for Energy; Office of Science; Office of Energy Efficiency; Basic Energy Sciences; National Energy Research Scientific Computing Center; Office of Energy Efficiency and Renewable Energy; U.S. Department of Energy; U.S. Department of Defense; National Science Foundation","keywords":"Perovskite (structure); Lewis acids and bases; Molecule; Base (topology); Rational design; Materials science; Chemistry; Nanotechnology; Crystallography; Mathematics; Catalysis; 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":[0.0002389861,0.0004599252,0.0004948077,0.0002894783,0.000265019,0.0006270876,0.0005793356,0.0003151285,0.001550625],"category_scores_gemma":[0.0003191008,0.0002992849,0.0002283867,0.0002885101,0.0002080298,0.0004406126,0.0003829335,0.0006103756,0.0005130498],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000427597,"about_ca_system_score_gemma":0.0003825423,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004317696,"about_ca_topic_score_gemma":0.001343057,"domain_scores_codex":[0.9998891,0.00001647679,0.000008614072,0.00001590831,0.00004437683,0.00002552562],"domain_scores_gemma":[0.9999336,0.00001493794,0.00001499831,0.000005179363,0.00001629836,0.00001493455],"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":[0.0004760741,0.0005284183,0.0006965189,0.0005632424,0.00008148599,0.0005723897,0.0001028414,0.04557899,0.9179008,0.007345282,0.0006941528,0.02545981],"study_design_scores_gemma":[0.0004547879,0.002117073,0.0006245514,0.00004406646,0.00009322502,0.0002162142,0.0001211452,0.0845967,0.8965074,0.000964982,0.01419795,0.00006202869],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.971135,0.002372929,0.01709228,0.0002235484,0.00005355694,0.0003754026,0.0003955757,0.0002145388,0.00813708],"genre_scores_gemma":[0.9772256,0.00255768,0.01773135,0.00008217872,0.00001538708,0.0002141944,0.0002954378,0.00005138063,0.001826708],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001550625,"threshold_uncertainty_score":0.005187333,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02234251267090586,"score_gpt":0.2269610649981507,"score_spread":0.2046185523272448,"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."}}