Synthesis and Design of Unusual High Valence Dopants with Aid of First-Principles Thermodynamic Calculations

Research Project

Project/Area Number	15K18217
Research Category	Grant-in-Aid for Young Scientists (B)
Allocation Type	Multi-year Fund
Research Field	Inorganic materials/Physical properties
Research Institution	Yokohama City University
Principal Investigator	MURATA Hidneobu 横浜市立大学, 国際総合科学部(八景キャンパス), 助教 (30726287)
Project Period (FY)	2015-04-01 – 2018-03-31
Project Status	Completed (Fiscal Year 2017)
Budget Amount *help	¥4,290,000 (Direct Cost: ¥3,300,000、Indirect Cost: ¥990,000) Fiscal Year 2016: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000) Fiscal Year 2015: ¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Keywords	超高圧合成 / X線吸収分光 / 第一原理計算 / ドーパント / 異常高原子価 / 二酸化チタン / 共添加 / 高圧合成 / ドーピング / 異常原子価
Outline of Final Research Achievements	We investigated conditions to form unusual high valence cations in TiO2 as a model matrix. Our results proposed following things: matrix substance is composed of higher valence cations than those of dopants and it is important to prevent oxygen vacancies from forming, which cause reduction of dopants. The latter will be achieved by sealing, using high-pressure conditions and co-doping of higher valence cations than matrix.

Report

(4 results)