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ペロブスカイト型プロトン伝導体におけるプロトン位置と構造緩和

Location of proton and structural relaxation in a perovskite-type proton conductor

下山 智隆*; 東條 壮男*; 川路 均*; 阿竹 徹*; 深澤 裕; 井川 直樹   

Shimoyama, Tomotaka*; Tojo, Takeo*; Kawaji, Hitoshi*; Atake, Toru*; Fukazawa, Hiroshi; Igawa, Naoki

固相反応により合成したプロトン伝導体BaZr$$_{0.8}$$Sc$$_{0.2}$$O$$_{2.9}$$の結晶構造を中性子回折法によって決定した。重水素を含んだ試料と含まない試料について粉末中性子回折実験を行い、得られた回折線データをRietveld法及び最大エントロピー法にて解析・比較した結果、重水素は12${it h}$サイトを占めること,酸化物イオン-重水素イオン間の距離は一般的なOD間距離よりも短くなることが明らかになった。

Proton conductor BaZr$$_{0.8}$$Sc$$_{0.2}$$O$$_{2.9}$$ was synthesized by a solid state reaction method. Neutron diffraction experiments were performed for dried and D$$_{2}$$O dissolute samples at 10 K. The observed data were analyzed by Rietveld method and Maximum Entropy method. It has been clarified that the deuterium exits at 12${it h}$ site. It is founded that the distance between oxide ion site and deuterium site is shorter than the normal distance of O-D.

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