Development of proton-conducting oxides based on proton trapping

2017 Fiscal Year Final Research Report

• Project/Area Number: 15H02287
• Research Category: Grant-in-Aid for Scientific Research (A)
• Allocation Type: Single-year Grants
• Section: 一般
• Research Field: Physical properties of metals/Metal-base materials
• Research Institution: Kyushu University
• Principal Investigator: Yamazaki Yoshihiro 九州大学, 稲盛フロンティア研究センター, 教授 (30292246)
• Co-Investigator(Kenkyū-buntansha): 桑原 彰秀 一般財団法人ファインセラミックスセンター, その他部局等, 主任研究員 (30378799) ; 奥山 勇治 宮崎大学, 工学部, 准教授 (80613281)
• Project Period (FY): 2015-04-01 – 2018-03-31
• Keywords: プロトン伝導性酸化物

Outline of Final Research Achievements

We combine ab initio calculations with H2O/D2O isotope exchange, AC impedance spectroscopy and thermogravimetric measurements of Sc-, In-, Lu-, Er-, Y- and Gd-doped barium zirconates to probe such effects. The measured Arrhenius curves for proton diffusivity increase in slope at lower temperatures in all cases as a result of proton trapping, with Lu displaying the smallest association energy of -0.26 eV. Although the proton-dopant association energy has showed raise and fall relationship against the ionic radius of dopant in the literature and in this study, monotonic correlation is found between the association and the hydrogen bond angle formed between the hydroxyl ion and acceptor oxygen in its lowest energy configuration. The hydrogen bond angle provides a consistent quantitative descriptor of macroscopic proton transport in the barium zirconates.

Free Research Field

材料科学