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2015 Fiscal Year Final Research Report

Role of Ion and Electron in Oxygen Permration Ceramics

Research Project

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Project/Area Number 25709059
Research Category

Grant-in-Aid for Young Scientists (A)

Allocation TypePartial Multi-year Fund
Research Field Inorganic materials/Physical properties
Research InstitutionNagoya Institute of Technology

Principal Investigator

NAKAYAMA Masanobu  名古屋工業大学, 工学(系)研究科(研究院), 准教授 (10401530)

Project Period (FY) 2013-04-01 – 2016-03-31
Keywords酸素透過性セラミックス / 第一原理計算 / 固体イオニクス
Outline of Final Research Achievements

Ion and electron transport properties have been investigated from the viewpoint of atom or lattice scale by computational and experimental techniques. Oxygen vacancy formation energies in perovskite compounds are evaluated by first-principles DFT and thermogravimetry. The results indicate that electron and hole are localized at lattice even at elevated temperatures (>800 K). In addition, we suggest optimization method to design high ionic conduction materials by using genetic algorithm and kinetic Monte Carlo simulation. The trial research results indicate that optimizing arrangement of ion make the conductivity increase by a factor of 10.

Free Research Field

無機固体化学

URL: 

Published: 2017-05-10  

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