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Average and local structures of BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$ as electrolyte for solid oxide fuel cell analyzed by neutron diffraction

中性子回折法を用いた燃料電池用固体電解質BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$の平均および局所構造解析

井川 直樹   ; 樹神 克明   ; 田口 富嗣*; 吉田 幸彦*; 松川 健*; 星川 晃範*; 石垣 徹*

Igawa, Naoki; Kodama, Katsuaki; Taguchi, Tomitsugu*; Yoshida, Yukihiko*; Matsukawa, Takeshi*; Hoshikawa, Akinori*; Ishigaki, Toru*

燃料電池用の固体電解質BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$について、中性子回折法を用いた平均および局所構造解析を実施した。中性子回折データから得た、局所ひずみの情報を含む原子対相関関数は、平均結晶構造解析によって求められた結晶構造パラメータを基にした計算結果と比較的良い一致をみた。本報告では、水素導入前後のBaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$の平均結晶および局所構造の関係について検討を行う。

The average and local structures of BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$ which is one of the excellent solid electrolytes for solid oxide fuel cells were analyzed by using the Rietveld method and the Atomic Pair Distribution Function (PDF) analysis method with the neutron diffraction to research the crystal structural effect on the electrical properties. PDF profile which was obtained from the neutron diffraction data of BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$ was fitted by using the crystal structure with the space group, ${it Pm}$-3${it m}$ which corresponds with the average structure, and the fitting relatively good reproduces the observed data. In this work, the relationship between the average and local structures of hydrogen doped and undoped BaSn$$_{0.5}$$In$$_{0.5}$$O$$_{2.75}$$ will be discussed.

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