Unravelling the cohesion in complex hydrides for materials exploration

2015 Fiscal Year Final Research Report

• Project/Area Number: 26820312
• Research Category: Grant-in-Aid for Young Scientists (B)
• Allocation Type: Multi-year Fund
• Research Field: Structural/Functional materials
• Research Institution: Tohoku University
• Principal Investigator: Takagi Shigeyuki 東北大学, 金属材料研究所, 助教 (50409455)
• Project Period (FY): 2014-04-01 – 2016-03-31
• Keywords: 錯体水素化物 / 水素 / 遷移金属 / 化学結合 / 配位子場 / 電気陰性度 / 18電子則 / 水素貯蔵

Outline of Final Research Achievements

Complex hydrides have attracted attention for many years because of their many potential functionalities, including hydrogen storage, fast-ionic conductivity and superconductivity. In this study, by means of a combined theoretical/experimental approach, we investigated the cohesion in complex hydrides in order to obtain knowledge for exploration of new materials. We developed several guidelines for materials exploration and successfully synthesized several new complex hydrides with high hydrogen density.

Free Research Field

計算材料科学