{"paper":{"title":"First-Principles Study on NaxTiO2 with Trigonal Bipyramid Structures: An Insight into Sodium-Ion Battery Anode Application","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"cond-mat.mtrl-sci","authors_text":"Chol-Jun Yu, Jin-Song Kim, Kum-Chol Ri, Song-Hyok Choe, Song-Nam Hong, Un-Gi Jong, Yun-Hyok Kye","submitted_at":"2019-01-09T08:57:20Z","abstract_excerpt":"Developing efficient anode materials with low electrode voltage, high specific capacity and superior rate capability is urgently required on the road to commercially viable sodium-ion batteries (SIBs). Aiming at finding a new SIB anode material, we investigate the electrochemical properties of NaxTiO2 compounds with unprecedented penta-oxygen-coordinated trigonal bipyramid (TB) structures by using the first-principles calculations. Identifying the four different TB phases, we perform the optimization of their crystal structures and calculate their energetics such as sodium binding energy, form"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1901.02641","kind":"arxiv","version":2},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}