{"id":"W2610427165","doi":"10.1021/jacs.7b01398","title":"Investigating Sodium Storage Mechanisms in Tin Anodes: A Combined Pair Distribution Function Analysis, Density Functional Theory, and Solid-State NMR Approach","year":2017,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Advancements in Battery Materials","field":"Engineering","cited_by":164,"is_retracted":false,"has_abstract":true,"ca_institutions":"Trinity College","funders":"H2020 Marie Skłodowska-Curie Actions; Vehicle Technologies Program; Engineering and Physical Sciences Research Council; Office of Science; Gonville and Caius College, University of Cambridge; Science and Technology Facilities Council; Argonne National Laboratory; U.S. Department of Energy; European Commission; University of Cambridge; Royal Society; Graphene Flagship; Wolfson Foundation; Diamond Light Source","keywords":"Tin; Chemistry; Amorphous solid; Solid-state nuclear magnetic resonance; Sodium; Stoichiometry; Ab initio; Pair distribution function; Density functional theory; Phase (matter); Crystallography; Chemical physics; Computational chemistry; Physical chemistry; Nuclear magnetic resonance; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0009551103,0.0001547051,0.0003989999,0.00002158316,0.0001949285,0.00008720633,0.000242712,0.00004655629,0.000007803713],"category_scores_gemma":[0.0001912807,0.0001175533,0.0001744667,0.0001724903,0.0003357412,0.0002070164,0.0001417904,0.0003237619,5.259166e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002449234,"about_ca_system_score_gemma":0.00001960802,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001157817,"about_ca_topic_score_gemma":9.70892e-7,"domain_scores_codex":[0.9988942,0.0001072921,0.0003872319,0.0001424028,0.0002640022,0.0002048413],"domain_scores_gemma":[0.9989011,0.00009139985,0.0006221024,0.0002514335,0.00006276123,0.00007115916],"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":[0.0001445314,0.00007366063,0.01821175,0.00004954676,0.0006537595,0.000001215861,0.0003193878,0.02114748,0.9574431,0.0001461274,0.001241277,0.0005681764],"study_design_scores_gemma":[0.00284235,0.000201021,0.3573228,0.0001468055,0.001210829,0.00005468126,0.001583908,0.08000666,0.5140763,0.04158245,0.0001312106,0.0008409574],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7974883,0.00001326522,0.2020991,0.0001540209,0.0001402161,0.00006235467,0.00001484123,0.00001939947,0.000008520723],"genre_scores_gemma":[0.9953576,0.00001327001,0.004266943,0.000226349,0.00009048029,0.000004471062,0.0000136433,0.00001505235,0.00001215193],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4433668,"threshold_uncertainty_score":0.4793684,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01172714963554784,"score_gpt":0.2388193157882097,"score_spread":0.2270921661526619,"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."}}