Development of anode materials using multinary Si-based alloys by computational chemistry and gas-deposition

2015 Fiscal Year Final Research Report

• Project/Area Number: 25620195
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Device related chemistry
• Research Institution: Tottori University
• Principal Investigator: Sakaguchi Hiroki 鳥取大学, 工学(系)研究科(研究院), 教授 (00202086)
• Project Period (FY): 2013-04-01 – 2016-03-31
• Keywords: リチウムイオン電池 / 第一原理計算 / ガスデポジション / 遷移金属シリサイド

Outline of Final Research Achievements

To improve a poor cyclability of Si-based anodes for next-generation Li-ion battery, we prepared composite electrodes consisted of Si and transition metal silicides (LaNixSi2-x), and investigated their anode performances. By the formation of LaNixSi2-x solid solution, the high-rate performance was improved under high charge-discharge current densities. As a result of the first principle calculation for Li diffusion behavior in the silicides, it was found that the activation energy of Li diffusion was reduced by about 0.1 eV because of the solid solution formation.

Free Research Field

無機材料化学，電気化学