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First-principles study of the structural and electrochemical properties of Na x Ti 2 O 4 (0 ≤ x ≤ 1) with tunnel structure for anode applications in alkali-ion batteries

2021; Royal Society of Chemistry; Volume: 23; Issue: 14 Linguagem: Inglês

10.1039/d1cp00269d

ISSN

1463-9084

Autores

Song-Hyok Choe, Chol‐Jun Yu, Y. S. Pak, Ye-Gyong Choe, Kwang-Il Jon, Jin-Song Kim, Kum-Chol Ri,

Tópico(s)

Inorganic Chemistry and Materials

Resumo

The structural, electrochemical, and electronic properties of Na x Ti 2 O 4 (0 ≤ x ≤ 1) were studied with DFT calculations.

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