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Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study
http://hdl.handle.net/2241/00144433
http://hdl.handle.net/2241/00144433b90e76a7-4a8e-4136-9449-3904c925da9f
名前 / ファイル | ライセンス | アクション |
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PCCP_18-39 (921.2 kB)
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Item type | Journal Article(1) | |||||
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公開日 | 2016-11-29 | |||||
タイトル | ||||||
タイトル | Na-ion diffusion in a NASICON-type solid electrolyte: a density functional study | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源 | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
著者 |
Bui, Kieu My
× Bui, Kieu My× Dinh, Van An× Okada, Susumu× Ohno, Takahisa |
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著者別名 |
岡田, 晋
× 岡田, 晋 |
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抄録 | ||||||
内容記述タイプ | Abstract | |||||
内容記述 | Based on density functional theory, we have systematically studied the crystal and electronic structures, and the diffusion mechanism of the NASICON-type solid electrolyte Na3Zr2Si2PO12. Four possible elementary processes are addressed: three inner-chain and one inter-chain processes. In inner-chain processes, Na tends to move inside the Na diffusion chain, while Na moves across the Na diffusion chain in the inter-chain process. The activation energies for the inner-chain and inter-chain processes are 230 meV and 260 meV, respectively. By combining possible elementary processes, three preferable pathways along a, b, and c directions are found. | |||||
書誌情報 |
Physical chemistry, chemical physics : PCCP 巻 18, 号 39, p. 27226-27231, 発行日 2016-10 |
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ISSN | ||||||
収録物識別子タイプ | ISSN | |||||
収録物識別子 | 1463-9076 | |||||
書誌レコードID | ||||||
収録物識別子タイプ | NCID | |||||
収録物識別子 | AA11301773 | |||||
PubMed番号 | ||||||
識別子タイプ | PMID | |||||
関連識別子 | 27711555 | |||||
DOI | ||||||
識別子タイプ | DOI | |||||
関連識別子 | 10.1039/c6cp05164b | |||||
権利 | ||||||
権利情報 | © the Owner Societies 2016 | |||||
著者版フラグ | ||||||
値 | author | |||||
出版者 | ||||||
出版者 | The Royal Society of Chemistry |