{"id":"W4206639548","doi":"10.14447/jnmes.v24i2.a02","title":"Conceptualized Simulation for Templating Carbon Based Nano Structures for Li-ion Batteries: A DFT Investigation","year":2021,"lang":"en","type":"article","venue":"Journal of New Materials for Electrochemical Systems","topic":"Graphene research and applications","field":"Materials Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Anode; Graphene; Lithium (medication); Materials science; Carbon nanotube; Ion; Carbon fibers; Nanotechnology; Chemical engineering; Composite number; Chemistry; Electrode; Physical chemistry; Composite material; Organic chemistry","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002840778,0.0004627588,0.0006189541,0.0005808793,0.0008936193,0.0008046972,0.001301216,0.00134793,0.0104379],"category_scores_gemma":[0.000569884,0.0002930229,0.0006800318,0.0005525769,0.0006170033,0.0007324078,0.0005819713,0.0007302058,0.0006148117],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001021957,"about_ca_system_score_gemma":0.001299645,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007303369,"about_ca_topic_score_gemma":0.008653998,"domain_scores_codex":[0.9999037,0.00002679715,0.00000346075,0.000007368435,0.00003412235,0.00002457258],"domain_scores_gemma":[0.9998232,0.00008700624,0.00001128566,0.00001701575,0.00004221096,0.00001938774],"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":[0.00007998682,0.0001327479,0.001248371,0.0002483823,0.00003120308,0.0003196914,0.0001219851,0.8902369,0.003355401,0.09677076,0.001650949,0.005803576],"study_design_scores_gemma":[0.00001465074,0.00001884145,0.0001562022,0.00001633189,0.000004754159,0.0000186033,0.00004706457,0.9924141,0.0002242006,0.0061655,0.0009146897,0.000005050849],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5655092,0.002488561,0.2341753,0.003126724,0.0004375472,0.0005862678,0.002860626,0.0003985711,0.1904173],"genre_scores_gemma":[0.9271337,0.001147824,0.0548944,0.0004269455,0.00006210268,0.001410683,0.0009927511,0.000164124,0.01376738],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0104379,"threshold_uncertainty_score":0.03491825,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04233221182309589,"score_gpt":0.323195068547862,"score_spread":0.2808628567247661,"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."}}