Experimental electron density study of interlayer interaction of layered transition metal dichalcogenides

2020 Fiscal Year Final Research Report

• Project/Area Number: 18K14136
• Research Category: Grant-in-Aid for Early-Career Scientists
• Allocation Type: Multi-year Fund
• Review Section: Basic Section 30010:Crystal engineering-related
• Research Institution: University of Tsukuba
• Principal Investigator: Kasai Hidetaka 筑波大学, 数理物質系, 助教 (80634807)
• Project Period (FY): 2018-04-01 – 2021-03-31
• Keywords: 放射光X線回折 / 層状物質 / 電子密度 / 原子配列 / 放射光その場観察

Outline of Final Research Achievements

We have been challenging to observe atomic structure and electron density distribution of layered materials and other inorganic materials using synchrotron radiation X-ray diffraction. While we couldn’t report observation of electron density distribution of layered transition metal dichalcogenides and layered thermoelectric materials, we reported observation of accurate electron density distribution of the pure metal. We also observed detailed atomic structure of a layered material of which electric conductivity drastically increases with lattice expansion of a few %. In addition, we developed a hydrothermal reactor for in-situ synchrotron X-ray powder diffraction. Using the reactor, we obtained the diffraction data during hydrothermal synthesis of nanoparticles. We can apply the in-situ reactor to study of layered structure.

Free Research Field

構造科学

Academic Significance and Societal Importance of the Research Achievements

放射光X線回折を用いて、物質の機能の起源を理解するために不可欠な原子配列と電子密度分布を精密に観測した。この成果によって、無機物質とくに層状物質の機能の理解へ向けた知見を増やすことができた。加えて、水熱合成中のナノ粒子の原子配列の変化を追跡するその場観察装置を開発した。開発した装置によって、粒子成長の観測から層状構造の研究を発展できる。