{"id":"W3114435556","doi":"10.1016/j.apsusc.2020.148877","title":"Ab-initio characterization of B4C3 monolayer as a toxic gases sensing material","year":2020,"lang":"en","type":"article","venue":"Applied Surface Science","topic":"2D Materials and Applications","field":"Materials Science","cited_by":27,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Waterloo","funders":"","keywords":"Monolayer; Silicene; Germanene; Work function; Adsorption; Molecule; Density functional theory; Chemical physics; Conductivity; Materials science; Band gap; Ab initio; Characterization (materials science); Nanotechnology; Chemistry; Computational chemistry; Graphene; Physical chemistry; Organic chemistry; Optoelectronics; 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":[0.000139459,0.0002063544,0.0002269053,0.0002243036,0.0003899929,0.0002686531,0.0003468179,0.0004838161,0.002561214],"category_scores_gemma":[0.0001849734,0.0001684139,0.0001656321,0.0002136045,0.0001508422,0.0001894549,0.0001451835,0.0002934402,0.0004118057],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000393654,"about_ca_system_score_gemma":0.0003481365,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005232973,"about_ca_topic_score_gemma":0.006965464,"domain_scores_codex":[0.9999168,0.000007819033,0.000001785016,0.000008726349,0.00004556609,0.00001937769],"domain_scores_gemma":[0.9999471,0.00001853463,0.00000435784,0.000005400637,0.00002008089,0.000004542855],"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":[0.0003931228,0.00007715729,0.001897976,0.0003441838,0.00002536881,0.0002207952,0.00009575038,0.02169405,0.9621118,0.004782673,0.001768946,0.006588102],"study_design_scores_gemma":[0.00003998062,0.0002616482,0.004879792,0.00002139641,0.00002181174,0.00007479078,0.0001716643,0.4384201,0.5527391,0.00079635,0.002550566,0.00002275435],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9863215,0.0004710091,0.00463127,0.0002783683,0.00003231844,0.0000196333,0.0005136493,0.0001761598,0.007556095],"genre_scores_gemma":[0.9956445,0.0001498641,0.002769621,0.00002919761,0.000004493148,0.00001513399,0.0002655618,0.00002548418,0.001096275],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005232973,"threshold_uncertainty_score":0.010405,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.022864763063045,"score_gpt":0.2491899697680521,"score_spread":0.2263252067050071,"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."}}