{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003211857,0.0002980235,0.0002931287,0.0003892615,0.0002754477,0.0003600018,0.0006951662,0.0003873544,0.0007108919],"category_scores_gemma":[0.000260206,0.0001698946,0.0003302085,0.0002681194,0.0003424908,0.0005625673,0.0002200056,0.000243196,0.00009072156],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005016424,"about_ca_system_score_gemma":0.000489281,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001860431,"about_ca_topic_score_gemma":0.002585884,"domain_scores_codex":[0.9999406,0.0000120954,0.000002085993,0.00000682566,0.00002967152,0.000008700479],"domain_scores_gemma":[0.9999324,0.00002784797,0.000007896107,0.000006805863,0.00001893982,0.000006138362],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.0002861259,0.0003375316,0.0048356,0.0005301266,0.0001504614,0.0003696938,0.0002082058,0.5075666,0.3696501,0.07170271,0.0006832288,0.04367957],"study_design_scores_gemma":[0.000006296869,0.00002155488,0.0003279277,0.000001695203,0.000005689778,0.00001124969,0.00001507642,0.9856766,0.01205702,0.001750582,0.0001215778,0.000004689953],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7425516,0.0005917881,0.2490749,0.000322996,0.00002790459,0.00005597663,0.0001256567,0.0003841804,0.006864974],"genre_scores_gemma":[0.9591921,0.0003569037,0.03946839,0.00003021941,0.00001078443,0.00003687868,0.00008535094,0.00001756313,0.0008017307],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001860431,"threshold_uncertainty_score":0.003699243,"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."}}