Elucidation of the position and movement of conduction atoms of battery materials by neutron scattering

2014 Fiscal Year Final Research Report

• Project/Area Number: 24360263
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Partial Multi-year Fund
• Section: 一般
• Research Field: Physical properties of metals
• Research Institution: Kyoto University
• Principal Investigator: FUKUNAGA TOSHIHARU 京都大学, 原子炉実験所, 教授 (60142072)
• Co-Investigator(Kenkyū-buntansha): ONODERA Yohei 京都大学, 原子炉実験所, 助教 (20531031) ; MORI Kazuhiro 京都大学, 原子炉実験所, 准教授 (40362412)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Keywords: イオン伝導物質 / 固体電解質 / 中性子散乱 / X線回折 / イオン伝導度 / 全固体電池 / 原子構造 / イオン伝導経路

Outline of Final Research Achievements

In this study, we performed synchrotron X-ray diffraction (SXRD) and time-of-flight neutron diffraction (TOF-ND) analyses on (Li2S)x(P2S5)100-x glasses (x = 50, 60, and 70), Li7P3S11 glass-ceramic and Li3xLa2/3-xTiO3 crystal and succeeded in clearly visualizing three-dimensional structure and the predicted conduction pathways of the lithium ions at RT by combining reverse Monte Carlo (RMC) modeling and the Bond Valence Sum (BVS) method. The conduction pathways of the lithium ions could be briefly classified into two types: lithium ‘stable’ and ‘metastable’ regions. It was found that a significant relationship exists between the topology of the conduction pathways of the lithium ions and the activation energy of the electrical conduction.

Free Research Field

材料物性