Analysis of unknown structures of nanomaterials using pair distribution functions

• Project/Area Number: 18K05192
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 34020:Analytical chemistry-related
• Research Institution: National Institute for Materials Science
• Principal Investigator: TOMINAKA Satoshi 国立研究開発法人物質・材料研究機構, 国際ナノアーキテクトニクス研究拠点, 主任研究員 (90468869)
• Project Period (FY): 2018-04-01 – 2021-03-31
• Project Status: Completed (Fiscal Year 2020)
• Budget Amount: ¥4,420,000 (Direct Cost: ¥3,400,000、Indirect Cost: ¥1,020,000); Fiscal Year 2020: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2019: ¥1,040,000 (Direct Cost: ¥800,000、Indirect Cost: ¥240,000); Fiscal Year 2018: ¥2,340,000 (Direct Cost: ¥1,800,000、Indirect Cost: ¥540,000)
• Keywords: ナノマテリアル / 構造解析 / X線分析 / 二体分布関数 / ナノ物質 / 未知構造 / X線 / 機械学習 / 未知構造解析 / X線散乱 / ナノ材料 / X線構造解析 / アルゴリズム

Outline of Final Research Achievements

Nanomaterials are extremely small and have fascinating functions compared with classical bulk materials. Though their potentialities in many applications, fundamental understanding of their functions is not matured yet for the lack of information of atomic arrangements. This study focused on the development of the method for analyzing atomic arrangements in nanomaterials using pair distribution functions.

Academic Significance and Societal Importance of the Research Achievements

ナノマテリアルの特異な機能を原子レベルから理解することは学術的に大きな意義があり、さらにその基盤をもとに社会的に重要な材料開発に繋げることができるはずである。本研究では、そのための解析手法の研究という基礎研究を行い、これまでは解析できなかった材料の原子配置の解明にも複数成功しており、ナノマテリアル分野の機能の理解に繋がる大きな一歩と言える。

Research Products

• [Int'l Joint Research] NTNU(ノルウェー)
• [Journal Article] Geometrical Frustration of B-H Bonds in Layered Hydrogen Borides Accessible by Soft Chemistry (2020)
  • Author(s): Satoshi Tominaka, Ryota Ishibiki, Asahi Fujino, Kohsaku Kawakami, Koji Ohara, Takuya Masuda, Iwao Matsuda, Hideo Hosono, Takahiro Kondo
  • Journal Title: Chem Volume: 6 Issue: 2 Pages: 406-418
  • DOI: 10.1016/j.chempr.2019.11.006
  • Peer Reviewed
• [Journal Article] Condensed ferric dimers for green photocatalytic synthesis of nylon precursors (2019)
  • Author(s): Ide Yusuke、Tominaka Satoshi、Yoneno Yumi、Komaguchi Kenji、Takei Toshiaki、Nishida Hidechika、Tsunoji Nao、Machida Akihiko、Sano Tsuneji
  • Journal Title: Chemical Science Volume: 10 Issue: 27 Pages: 6604-6611
  • DOI: 10.1039/c9sc01253b
  • Peer Reviewed / Open Access
• [Journal Article] Lepidocrocite-Type Titanate Formation from Isostructural Prestructures under Hydrothermal Reactions: Observation by Synchrotron X-ray Total Scattering Analyses (2018)
  • Author(s): Tominaka Satoshi、Yamada Hiroki、Hiroi Satoshi、Kawaguchi Saori I.、Ohara Koji
  • Journal Title: ACS Omega Volume: 3 Issue: 8 Pages: 8874-8881
  • DOI: 10.1021/acsomega.8b01693
  • Peer Reviewed / Open Access
• [Journal Article] Two-dimensional cyano-bridged coordination polymer of Mn(H2O)2[Ni(CN)4]: structural analysis and proton conductivity measurements upon dehydration and rehydration (2018)
  • Author(s): Alowasheeir Azhar、Tominaka Satoshi、Ide Yusuke、Yamauchi Yusuke、Matsushita Yoshitaka
  • Journal Title: CrystEngComm Volume: 20 Issue: 42 Pages: 6713-6720
  • DOI: 10.1039/c8ce01400k
  • Peer Reviewed / Int'l Joint Research
• [Journal Article] Time-resolved pair distribution function analysis of?disordered materials on beamlines BL04B2 and BL08W at SPring-8 (2018)
  • Author(s): Ohara Koji、Tominaka Satoshi、Yamada Hiroki、Takahashi Masakuni、Yamaguchi Hiroshi、Utsuno Futoshi、Umeki Takashi、Yao Atsushi、Nakada Kengo、Takemoto Michitaka、Hiroi Satoshi、Tsuji Naruki、Wakihara Toru
  • Journal Title: Journal of Synchrotron Radiation Volume: 25 Issue: 6 Pages: 1627-1633
  • DOI: 10.1107/s1600577518011232
  • Peer Reviewed / Open Access
• [Journal Article] Zeolitic intralayer microchannels of magadiite, a natural layered silicate, to boost green organic synthesis (2018)
  • Author(s): Ide Yusuke、Tominaka Satoshi、Kono Hiroyuki、Ram Rahul、Machida Akihiko、Tsunoji Nao
  • Journal Title: Chemical Science Volume: 9 Issue: 46 Pages: 8637-8643
  • DOI: 10.1039/c8sc03712d
  • Peer Reviewed / Open Access / Int'l Joint Research
• [Presentation] X線全散乱測定とPDF解析 (2019)
  • Author(s): 冨中 悟史
  • Organizer: 日本結晶学会 年会
  • Invited
• [Presentation] Finding hidden symmetries in low-dimensional materials by X-ray pair distribution functions (2019)
  • Author(s): Satoshi Tominaka
  • Organizer: PACRIM13
  • Int'l Joint Research / Invited