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Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ
Dalton Transactions ( IF 3.5 ) Pub Date : 2022-11-28 , DOI: 10.1039/d2dt02277j
Ragnar Strandbakke 1 , David S Wragg 2 , Magnus H Sørby 3 , Matylda N Guzik 4, 5 , Anette E Gunnæs 5 , Iga Szpunar 6 , Sebastian Lech Wachowski 6 , María Balaguer 7 , Patricia A Carvalho 8 , Aleksandra Mielewczyk-Gryń 6 , Jose M Serra 7 , Truls Norby 1
Affiliation  

Ba1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is substituted for Ba and Gd. The dominating phase is the double perovskite structure Pmmm, which is A-site ordered along the c-axes and with O vacancy ordering along the b-axis in the Ln-layer. Phases emerging when substituting La for Ba are orthorhombic Ba-deficient Pbnm and cubic LaCoO3-based R[3 with combining macron]c. When La is almost completely substituted for Gd, the material can be stabilised in Pmmm, or cubic Pm[3 with combining macron]m, depending on thermal and atmospheric history. We list thermal expansion coefficients for x = 0–0.3, y = 0.2.

中文翻译:

混合导体Ba1−xGd1−yLax+yCo2O6−δ的结构特性

Ba 1− x Gd 1− y La x + y Co 2 O 6− δ (BGLC) 成分具有大范围的 Ba、Gd 和 La,其特征在于相组成、结构以及热膨胀和化学膨胀。结果表明系统具有很大的组成灵活性,可以调整功能特性以及热膨胀和化学膨胀。我们展示了各向异性化学膨胀和新兴相的详细改进,因为 La 取代了 Ba 和 Gd。主导相是双钙钛矿结构Pmmm,它是沿c排列的 A 位点- 轴和 O 空位沿Ln 层中的b轴排序。当用 La 代替 Ba 时出现的相是正交晶系 Ba 缺陷型Pbnm和基于立方体 LaCoO 3的R [3 结合马克龙]c。当 La 几乎完全取代 Gd 时,材料可以稳定在Pmmm或立方体Pm [3 结合马克龙]m中,具体取决于热和大气历史。我们列出了x = 0–0.3、y = 0.2的热膨胀系数。
更新日期:2022-11-30
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