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Synthesis of Ba1-xSrxYSi2O5N and discussion based on structure analysis and DFT calculation
http://hdl.handle.net/2237/00030819
http://hdl.handle.net/2237/00030819c21fcb6d-5e2c-4e1e-b4bd-38cbef3bc4e6
名前 / ファイル | ライセンス | アクション |
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BaSr-SiON_R1_F_hidden (457.4 kB)
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BaSr-SiON_SI_R1_hidden (833.1 kB)
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Item type | 学術雑誌論文 / Journal Article(1) | |||||
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公開日 | 2019-10-18 | |||||
タイトル | ||||||
タイトル | Synthesis of Ba1-xSrxYSi2O5N and discussion based on structure analysis and DFT calculation | |||||
言語 | en | |||||
著者 |
Yasunaga, Takuya
× Yasunaga, Takuya× Kobayashi, Makoto× Hongo, Kenta× Fujii, Kotaro× Yamamoto, Shunsuke× Maezono, Ryo× Yashima, Masatomo× Mitsuishi, Masaya× Kato, Hideki× Kakihana, Masato |
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アクセス権 | ||||||
アクセス権 | open access | |||||
アクセス権URI | http://purl.org/coar/access_right/c_abf2 | |||||
権利 | ||||||
言語 | en | |||||
権利情報 | © 2019. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/ | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Novel compound | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Oxynitride | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Phosphor | |||||
キーワード | ||||||
主題Scheme | Other | |||||
主題 | Computational chemistry | |||||
抄録 | ||||||
内容記述 | Cation substitution for inorganic solid materials is a practical approach to control their functions. Here, synthesis, structure analysis, density functional theory (DFT) calculation of novel oxynitrides Ba1−xSrxYSi2O5N, and investigation of their photoluminescence properties with Eu2+- or Ce3+-activator were conducted. Single crystal and powder X-ray analyses revealed that Ba1−xSrxYSi2O5N were formed at x ≤ 0.75 and they were isotypic while the synthesis of SrYSi2O5N (x = 1) was not achieved by any synthesis conditions examined. Based on phonon calculation, it was concluded that the synthesis of SrYSi2O5N with the isostructure to BaYSi2O5N was impossible due to the thermodynamical unstability. Substitution of Ba with Sr decreased the average bond length of AE-(O,N) (AE = Ba and Sr) and increased distortion of AE sites. On the other hand, coordination environments of Y sites were rarely affected by the substitution. As a result, redshift and broadening of emission spectra for Eu-doped samples were observed, whereas there was almost no spectral change in Ce-doped samples. | |||||
言語 | en | |||||
内容記述タイプ | Abstract | |||||
内容記述 | ||||||
内容記述 | ファイル公開:2021-08-01 | |||||
言語 | ja | |||||
内容記述タイプ | Other | |||||
出版者 | ||||||
言語 | en | |||||
出版者 | Elsevier | |||||
言語 | ||||||
言語 | eng | |||||
資源タイプ | ||||||
資源タイプresource | http://purl.org/coar/resource_type/c_6501 | |||||
タイプ | journal article | |||||
出版タイプ | ||||||
出版タイプ | AM | |||||
出版タイプResource | http://purl.org/coar/version/c_ab4af688f83e57aa | |||||
DOI | ||||||
関連タイプ | isVersionOf | |||||
識別子タイプ | DOI | |||||
関連識別子 | https://doi.org/10.1016/j.jssc.2019.05.012 | |||||
ISSN(print) | ||||||
収録物識別子タイプ | PISSN | |||||
収録物識別子 | 0022-4596 | |||||
書誌情報 |
en : Journal of Solid State Chemistry 巻 276, p. 266-271, 発行日 2019-08 |
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著者版フラグ | ||||||
値 | author |