[11a-N107-1~11] 23.1 合同セッションN「インフォマティクス応用」

▼ [11a-N107-5] Quantitative relationship between 3D structure-ionic conductivity by topological analysis

〇(D)YU WEN^1,2、AYAKO HASHIMOTO^1,2,3、AKIHIKO HIRATA⁴、HIDEKI ABE^1,3,5 (1.NIMS、2.Univ. of Tsukuba、3.JST、4.Waseda Univ.、5.Saitama Univ.)

キーワード：Homology analysis, 3D nanostructure, ionic conductivity

Oxygen ion conductivity is an important function for systems such as membranes for methane conversion and solid oxide fuel cells. Understanding the quantitative relationship between morphology and ionic conductivity is helpful for ion conductor design. We applied topological invariants, Betti numbers to quantitatively evaluate the 3D nanostructure of self-assembled metal/oxide composites. The ionic conductivity was interpreted by two parameters: activation energy E and pre-exponential factor lnσ according to the Arrhenius equation. It was demonstrated that the higher connectivity of the oxide phase (represented by lower Betti 0) has a higher value of E and lnσ for the self-assembled nanocomposites.