Design of Active Site at Heterointerface between Brownmillerite Type Oxide Promoter and Fluorite Cubic ZrO2 in Anode of Intermediate Temperature SOFCs

Ito，Shigeharu1,2; Mori，Toshiyuki1; Suzuki，Akira1; Okubo，Hiroshi1; Yamamoto，Shunya3; Sato，Takaya2; Ye，Fei4,5

2019-07-22

10.1021/acsaem.9b00864

ACS Applied Energy Materials   影响因子和分区

25740962

2574-0962

New hopping site for mobile oxygen (i.e., active site) on cubic ZrO surface in the anode was designed along the guide of previously published first-principles simulation. To design it, the authors proposed a heterointerface between brownmillerite type oxide and fluorite type cubic ZrO ("BF heterointerface") as model active site. Small amount (0.2 wt %) of brownmillerite type oxide promoter made new hopping site on YSZ and conspicuously improved both anode performance and its stability at 700 °C. The combination work of XPS analysis and surface atomistic simulation suggests the formation of Frenkel type defect clusters on BF heterointerface. Also, this combination work was useful to conclude why the optimum content of brownmillerite type oxide for promotion of anode reaction was around 0.2 wt %. Finally, it is found that "BF heterointerface" designed by combination of the modeling, surface microanalysis, and fabrication can solve the trade-off relation between high anode performance and its long-time stability for development of state-of-the-art IT-SOFC.

active heterointerface anode brownmillerite type oxide promoter IT-SOFC surface atomistic simulation three-phase boundary

EI ; SCI

英语

其他

NIMS[JP 19K15684]

Chemistry ; Energy & Fuels ; Materials Science

Chemistry, Physical ; Energy & Fuels ; Materials Science, Multidisciplinary

WOS:000477074700069

American Chemical Society

20193307317513

Anodes ; Economic and social effects ; Fluorspar ; Yttria stabilized zirconia ; Zirconia

Minerals:482.2 ; Fuel Cells:702.2 ; Electron Tubes:714.1 ; Inorganic Compounds:804.2 ; Social Sciences:971

2-s2.0-85070564613

Scopus

1.Global Research Center for Environmental and Energy Based on Nanomaterials (GREEN)Center for Green Research on Energy and Environmental MaterialsNational Institute for Materials Science (NIMS),Tsukuba, Ibaraki,1-1 Namiki,Japan
2.Department of Creative EngineeringChemical and Biological CourseNational Institute of TechnologyTsuruoka College,Inoka, Tsuruoka, Yamagata,104 Sawada,997-8511,Japan
3.Takasaki Advanced Radiation Research InstituteNational Institute for Quantum and Radiological Science and Technology (QST),Takasaki, Gunma,1233 Watanuki,370-1292,Japan
4.School of Material Science and EngineeringDalian University of Technology,Dalian,2 Linggong Road,116024,China
5.Department of Materials Science and EngineeringSouthern University of Science and Technology,Shenzhen, Guangdong,No. 1088, Xueyuan Road,518055,China

Ito，Shigeharu,Mori，Toshiyuki,Suzuki，Akira,et al. Design of Active Site at Heterointerface between Brownmillerite Type Oxide Promoter and Fluorite Cubic ZrO2 in Anode of Intermediate Temperature SOFCs[J]. ACS Applied Energy Materials,2019,2(7):5183-5197.

Ito，Shigeharu.,Mori，Toshiyuki.,Suzuki，Akira.,Okubo，Hiroshi.,Yamamoto，Shunya.,...&Ye，Fei.(2019).Design of Active Site at Heterointerface between Brownmillerite Type Oxide Promoter and Fluorite Cubic ZrO2 in Anode of Intermediate Temperature SOFCs.ACS Applied Energy Materials,2(7),5183-5197.

Ito，Shigeharu,et al."Design of Active Site at Heterointerface between Brownmillerite Type Oxide Promoter and Fluorite Cubic ZrO2 in Anode of Intermediate Temperature SOFCs".ACS Applied Energy Materials 2.7(2019):5183-5197.