Structural study for glassy electrolytes by pair distribution function and Raman spectroscopy

2016 Fiscal Year Final Research Report

• Project/Area Number: 15H06919
• Research Category: Grant-in-Aid for Research Activity Start-up
• Allocation Type: Single-year Grants
• Research Field: Inorganic materials/Physical properties
• Research Institution: Japan Synchrotron Radiation Research Institute
• Principal Investigator: OHARA Koji 公益財団法人高輝度光科学研究センター, 利用研究促進部門, 研究員 (00625486)
• Project Period (FY): 2015-08-28 – 2017-03-31
• Keywords: ガラス電解質 / X線PDF解析 / ラマン分光 / イオン伝導体

Outline of Final Research Achievements

The structures of 67Li2S-33P2S5, 70Li2S-30P2S5, and 75Li2S-25P2S5 glasses are modeled by a combination of density functional theory (DFT) and reverse Monte Carlo (RMC) simulation using synchrotron X-ray diffraction, neutron diffraction, and Raman spectroscopy data. We attempted to analyze the relationship between lithium ionic conduction and the glassy structure based on the DFT/RMC structure.

Free Research Field

無機材料・物性/無機工業材料