Atomic Level Characterization of Molecular Self Assembly: its formation and collapse

2023 Fiscal Year Final Research Report

• Project/Area Number: 19K04434
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 21030:Measurement engineering-related
• Research Institution: National Institute of Advanced Industrial Science and Technology
• Principal Investigator: Koshino Masanori 国立研究開発法人産業技術総合研究所, 材料・化学領域, 研究グループ長 (00505240)
• Project Period (FY): 2019-04-01 – 2024-03-31
• Keywords: 分子集合体 / ナノ材料 / TEM / EELS / 有機分子 / 第一原理計算 / 分子動力学計算 / 界面活性剤

Outline of Final Research Achievements

Throughout the research period, the formation and disintegration processes of self-assembled molecular assembly films composed of extremely small amphiphilic organic molecules were measured and evaluated using scanning/transmission electron microscopes equipped with state-of-the-art technology. The objective of developing a time-resolved multidimensional measurement method at the atomic and molecular level with high sensitivity, high resolution, and high speed for soft materials whose structure can easily change due to radiation has been achieved. A new method to remove noise from large amounts of experimental data and image recognition technology for target substances has been newly developed. Molecular dynamics simulations and electron microscopic image simulations of membranes consisting of more than 1 million atoms were carried out, providing important results that can explain experimental results.

Free Research Field

ナノ材料、電子顕微鏡、分光

Academic Significance and Societal Importance of the Research Achievements

分子集合体膜とそれらを構成する両親媒性有機分子（界面活性剤：サーファクタント）は、化粧品、家庭用洗剤、工業用洗浄剤、各種実験材料の分散や精製に広く利用される非常に身近な材料であるとともに環境・資源・エネルギー・エレクトロニクス・医療など様々な分野で利用されている。本研究課題では、分子膜が形成する際、膜を構成する有機分子やその周りの水分子がどのように振る舞うのか、分子膜の大きさはどうしたら制御できるか、膜構造が安定に存在するためにはどのような生成プロセスや構造を経たらよいのかを透過型電子顕微鏡および時間分解型の計測評価技術を用いて分子の直接観察と元素分析によって明らかにすることを目的とした。