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Probing and Mapping Electrode Surfaces in Solid Oxide Fuel Cells
Published on: September 20, 2012
Sr2Fe(1.5) Mo(0.5) O(6-δ),対称的な固体酸化物燃料電池のための電極材料の構造-特性関係を明らかにします
Ana B Muñoz-García1, Daniel E Bugaris, Michele Pavone
1Department of Mechanical and Aerospace Engineering, Program in Applied and Computational Mathematics, and Gerhard R. Andlinger Center for Energy and the Environment, Princeton University, Princeton, New Jersey 08544, USA.
Journal of the American Chemical Society
|March 28, 2012
まとめ
この研究では,新しい固体酸化物燃料電池材料であるSr(2) Fe(1.5) Mo(0.5) O(6-δ) (SFMO) の詳細が示されています. SFMOは酸素の空白と,燃料電池の性能に不可欠な優れた混合イオン電子伝導性を示しています.
科学分野:
- マテリアルサイエンス 材料科学
- 電気化学 電気化学について
- 固体化学 固体化学
背景:
- 固体酸化物燃料電池 (SOFC) は,効率的な中間温度操作のために高度な電極材料を必要とします.
- ストロンチウム鉄モリブダートペロブスキットは,混合イオンと電子伝導性の可能性があるため,有望な候補です.
研究 の 目的:
- 結晶構造,酸素ステキオメトリー,およびSr2Fe1.5Mo0.5O6-δ) (SFMO) の電子特性を実験的かつ理論的に特徴づける.
- 材料の構造,酸素の空白,SOFC電極としての性能の関係を解明する.
主な方法:
- 結晶構造と酸素含有量を決定するために,リートヴェルド精製による粉末中性子 difraktion.
- 密度関数理論とハバードU (DFT+U) の計算により,電子構造と酸素空白の形成を予測する.
- 伝導性メカニズムを理解するために電子構造の分析.
主要な成果:
- SFMOは,単純な立方ペロブスキートではなく,オルソロンビックPnma空間群で結晶化します.
- 材料は酸素の空白を示し,Sr(2)Fe(1.5)Mo(0.5)O(5.90(2)) の構成が決定されています.
- DFT+Uの計算は,酸素の空白の存在と濃度を確認し,高い電子伝導性とイオン拡散性を有する強いFe d-O p混合を明らかにした.
結論:
- SFMOは,オルソロンビック構造,固有の酸素空隙,および優れた混合イオン電子伝導性により,実行可能なSOFC電極材料です.
- 酸素空白の容易な形成と高酸化イオン拡散性は,電子構造,特にFe d-O p混合化に関連しています.
- この理解は,効率的な中間温度固体酸化物燃料電池の開発を容易にする.
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