{"id":"W2553106387","doi":"10.1038/srep37654","title":"Thermodynamic origin of instability in hybrid halide perovskites","year":2016,"lang":"en","type":"article","venue":"Scientific Reports","topic":"Perovskite Materials and Applications","field":"Engineering","cited_by":102,"is_retracted":false,"has_abstract":true,"ca_institutions":"McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Compute Canada; Lakehead University","keywords":"Perovskite (structure); Halide; Instability; Solubility; Degradation (telecommunications); Decomposition; Materials science; Chemical stability; Ab initio; Solar cell; Perovskite solar cell; Chemical physics; Chemistry; Thermodynamics; Chemical engineering; Physical chemistry; Inorganic chemistry; Computer science; Physics; Organic chemistry; Optoelectronics","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":[0.0002022441,0.0001752823,0.0002249539,0.0004128863,0.0004622069,0.0004938113,0.0002947117,0.0002084601,0.001270417],"category_scores_gemma":[0.0004203983,0.0002201178,0.0001591251,0.0001929339,0.0005312294,0.0003692832,0.0003483343,0.0002924203,0.0001356954],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004555071,"about_ca_system_score_gemma":0.0002953652,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001006173,"about_ca_topic_score_gemma":0.0007538261,"domain_scores_codex":[0.9999157,0.00001169757,0.000003725877,0.00001024474,0.00004506173,0.0000135875],"domain_scores_gemma":[0.999897,0.00004430778,0.00001554392,0.00001052865,0.000025268,0.000007381722],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0004705386,0.0001332359,0.01456872,0.0003201953,0.00009175937,0.0006782764,0.000375427,0.1417725,0.7703216,0.05890234,0.0006991648,0.01166623],"study_design_scores_gemma":[0.00004246266,0.0001542026,0.006158791,0.00001296452,0.00002427229,0.000242744,0.0001608318,0.627991,0.3397847,0.02428835,0.001100235,0.00003949652],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9877532,0.0001712188,0.007819174,0.00008735422,0.000007809087,0.00001339235,0.00009331349,0.00008940001,0.003965178],"genre_scores_gemma":[0.9991857,0.00003320718,0.0004834149,0.000004130212,0.000001936816,0.000009802179,0.0000452887,0.00001104571,0.0002254291],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001270417,"threshold_uncertainty_score":0.00424993,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01084713326187021,"score_gpt":0.2257987597693885,"score_spread":0.2149516265075183,"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."}}