Development of method for determination of atomic arrangement by nano-beam diffraction.

• Project/Area Number: 25600148
• Research Category: Grant-in-Aid for Challenging Exploratory Research
• Allocation Type: Multi-year Fund
• Research Field: Quantum beam science
• Research Institution: University of Tsukuba (2014-2015); Institute of Physical and Chemical Research (2013)
• Principal Investigator: Nishibori Eiji 筑波大学, 数理物質系, 教授 (10293672)
• Project Period (FY): 2013-04-01 – 2016-03-31
• Project Status: Completed (Fiscal Year 2015)
• Budget Amount: ¥3,380,000 (Direct Cost: ¥2,600,000、Indirect Cost: ¥780,000); Fiscal Year 2015: ¥260,000 (Direct Cost: ¥200,000、Indirect Cost: ¥60,000); Fiscal Year 2014: ¥260,000 (Direct Cost: ¥200,000、Indirect Cost: ¥60,000); Fiscal Year 2013: ¥2,860,000 (Direct Cost: ¥2,200,000、Indirect Cost: ¥660,000)
• Keywords: 放射光 / グラフィックカード / ナノ粒子 / 物理的モデリング / 原子配列 / 回折 / 弾性散乱 / 非晶質 / 計算科学 / 解析法開発 / 粒子散乱 / デバイの式 / 2体散乱 / ナノビーム / ドメイン観測 / 非晶質領域 / 熱電変換材料 / 強相関電子系 / ボロン化合物

Outline of Final Research Achievements

An aim of this study is development of the technique for structure determination in atomic scale from the diffraction data of small size sample using synchrotron radiation and X-ray free Electron leaser nano-beam. We developed the system which is able to calculate the diffraction data from 100x100x100 nm3 volume particle in realistic time using graphic processing unit. We applied the system to the structural analysis of nano-particles which have both crystalline and non-crystalline regions. It was found that our developed system has a possibilities of the determination of size and shape distributions of nano-particle from X-ray diffraction.

Research Products

• [Journal Article] Multiple powder diffraction data for an accurate charge density study using synchrotron radiation X-ray. (2016)
  • Author(s): Hidetaka Kasai, Eiji Nishibori
  • Journal Title: Phys. Scripta. Volume: 91 Issue: 4 Pages: 043009-043009
  • DOI: 10.1088/0031-8949/91/4/043009
  • Peer Reviewed
• [Journal Article] Bonding Nature of LiCoO₂ by Topological Analysis of Electron Density from X-ray Diffraction (2015)
  • Author(s): E. Nishibori, T. Shibata, W. Kobayashi, and Y. Moritomo
  • Journal Title: Electrochemistry Volume: 83 Issue: 10 Pages: 840-842
  • DOI: 10.5796/electrochemistry.83.840
  • NAID: 130005100783
  • ISSN: 1344-3542, 2186-2451
  • Peer Reviewed
• [Journal Article] Element-selective visualization for materials science using synchrotron X-ray two-wavelength anomalous powder diffraction data (2015)
  • Author(s): Eiji Nishibori, Masaki Takata
  • Journal Title: Transactions of the Materials Research Society of Japan Volume: 40 Issue: 2 Pages: 165-168
  • DOI: 10.14723/tmrsj.40.165
  • NAID: 130005089537
  • ISSN: 1382-3469, 2188-1650
  • Peer Reviewed
• [Journal Article] Revisit: High resolution Charge Density Study of alpha-rhombohedral boron using third-generation SR data at SPring-8 (2015)
  • Author(s): Eiji Nishiboria, Hiroshi Hyodo, Kaoru Kimura, and Masaki Takata
  • Journal Title: Solid. State. Science. Volume: 47 Pages: 27-31
  • DOI: 10.1016/j.solidstatesciences.2015.02.007
  • Peer Reviewed
• [Journal Article] Coordination Nano-Space as Stage of Hydrogen Ortho-Para Conversion (2015)
  • Author(s): Takashi Kosone, Akihiro Hori, Eiji Nishibori, Yoshiki Kubota, Akio Mishima, Masaaki Ohba, Hiroshi Tanaka, Kenichi Kato, Jungeun Kim, José A. Real, Susumu Kitagawa, Masaki Takata
  • Journal Title: Royal Soc. Open. Sci. Volume: 2 Issue: 7 Pages: 1-8
  • DOI: 10.1098/rsos.150006
  • NAID: 120005829434
  • Peer Reviewed / Open Access / Int'l Joint Research / Acknowledgement Compliant
• [Journal Article] One-step hydrothermal synthesis of V1-xWxO2(M/R) nanorods with superior doping efficiency and thermochromic properties. (2015)
  • Author(s): Ru Chen, Lei Miao*, Haoliang Cheng, Eiji Nishibori*, Cheng Yan Liu, Toru Asaka, Yuji Iwamoto, Masaki Takata and Sakae Tanemura.
  • Journal Title: J. Mater. Chem. A Volume: 3 Issue: 7 Pages: 3726-3738
  • DOI: 10.1039/c4ta05559d
  • Peer Reviewed
• [Journal Article] Optical Properties of Disilane-Bridged Donor Acceptor Architectures: Strong Effect of Substituents on Fluorescence and Nonlinear Optical Properties (2015)
  • Author(s): M. Shimada, Y. Yamanoi, T. Matsushita, T. Kondo, E. Nishibori, A. Hatakeyama, K. Sugimoto, H. Nishihara
  • Journal Title: Journal of the American Chemical Society Volume: 137 Issue: 3 Pages: 1024-1027
  • DOI: 10.1021/ja511177e
  • Peer Reviewed / Acknowledgement Compliant
• [Journal Article] Smart Crystallography in Materials Science at SPring-8: In the case of Endohedral Metallofullerene (2014)
  • Author(s): Nishibori, Eiji; Maki, Sachiko; Takata, Masaki
  • Journal Title: JPS Conference Proceeding Volume: 1 Pages: 014001-014001
  • DOI: 10.7566/jpscp.1.014001
  • Peer Reviewed
• [Journal Article] Hirshfeld atom refinement for modelling strong hydrogen bonds. (2014)
  • Author(s): M. Woinska, D. Jayatilaka, M. A. Spackman, A. J. Edwards, P. M. Dominiak, K. Wozniak, E. Nishibori, K. Sugimoto and S. Grabowsky
  • Journal Title: Acta Cryst. Volume: A70 Issue: 5 Pages: 483-498
  • DOI: 10.1107/s2053273314012443
  • Peer Reviewed
• [Journal Article] Crystal structure of (Z )-1-(ferrocenylethynyl)-10-(phenylimino) anthracen-9(10H)-one from synchrotron X-ray powder diffraction. (2014)
  • Author(s): Eiji Nishibori, Shinobu Aoyagi, Makoto Sakata, Ryota Sakamoto and Hiroshi Nishihara.
  • Journal Title: Acta Cryst. Volume: C70 Issue: 12 Pages: 573-576
  • DOI: 10.1107/s1600536814025252
  • Peer Reviewed / Open Access / Acknowledgement Compliant
• [Journal Article] Comparative study of X-ray charge-density data on CoSb3 (2013)
  • Author(s): Mette Stokkebroe Schmokel, Lasse Bjerg, Finn Krebs Larsen, Jacob Overgaard, simone cenedese, Mogens Christensen, Georg Madsen, Carlo Gatti, Eiji Nishibori, Kunihisa Sugimoto, Masaki Takata and Bo Brummerstedt Iversen.
  • Journal Title: ACTA CRYSTALLOGRAPHICA SECTION A Volume: 69 Issue: 6 Pages: 570-582
  • DOI: 10.1107/s0108767313024458
  • Peer Reviewed
• [Journal Article] “Perfectly Ordered Two-Dimensional Layer Structures Found in Some Endohedral Metallofullerenes” (2013)
  • Author(s): S.Maki
  • Journal Title: Cryst.Growth Des. Volume: 13 Issue: 8 Pages: 3632-3636
  • DOI: 10.1021/cg400615j
  • Peer Reviewed
• [Journal Article] 1,4-Bis(4-ferrocenylphenylethynyl)anthraquinone by synchrotron X-ray powder diffraction (2013)
  • Author(s): Maki Sachiko, Eiji Nishibori, Masanori Yoshida, Shinobu Aoyagi, Makoto Sakata, Masaki Takata, Mio Kondo, Masaki Murata, Ryota Sakamoto, Hiroshi Nishihara
  • Journal Title: Acta. Cryst. Volume: C69 Issue: 7 Pages: 696-703
  • DOI: 10.1107/s0108270113013978
  • Peer Reviewed
• [Journal Article] “Element-Selective Charge Density Visualization of Endohedral Metallofullerenes using Synchrotron X-Ray Multi-Wavelength Anomalous Powder Diffraction Data” (2013)
  • Author(s): S.Maki
  • Journal Title: J.Appl.Crystallogr. Volume: 46 Issue: 3 Pages: 649-655
  • DOI: 10.1107/s002188981300592x
  • Peer Reviewed
• [Presentation] 放射光粉末X線回折データを用いたWxV1-xO2の物理的モデルに基づく構造研究 (2016)
  • Author(s): 畠山あかり，西堀英治，Lei Miao，木村薫，高田昌樹
  • Organizer: 第29回放射光学会年会
  • Place of Presentation: 東大柏キャンパスサテライト(千葉県柏市)
  • Year and Date: 2016-01-13
  • Int'l Joint Research
• [Presentation] Structural Studies using multiple powder diffraction dataset (2015)
  • Author(s): E. Nishibori and H. Kasai,
  • Organizer: The 13th Conference of the Asian Crystallographic Association
  • Place of Presentation: インド・コルカタ
  • Year and Date: 2015-12-08
  • Int'l Joint Research
• [Presentation] Multiple powder diffraction profiles for charge density study using synchrotron radiation X-ray (2015)
  • Author(s): Eiji Nishibori
  • Organizer: Sagamore XVIII
  • Place of Presentation: サルディーニャ、イタリア
  • Year and Date: 2015-06-10
  • Int'l Joint Research
• [Presentation] 1.Structural Studies of Functional Materials Using Synchrotron X-Ray Diffraction. (2015)
  • Author(s): Eiji Nishibori
  • Organizer: 2015 CENIDE-CNMM-TIMS Joint Symposium on Nanoscience and Nanotechnology
  • Place of Presentation: Germany DENIDE,
  • Year and Date: 2015-03-17
  • Invited
• [Presentation] 2.Application of maximum-entropy electrostatic potential in Materials Science. (2014)
  • Author(s): Eiji Nishibori
  • Organizer: Congress and General Assembly of the International Union of crystallography.
  • Place of Presentation: Montreal, Quebec, Canada
  • Year and Date: 2014-08-05 – 2014-08-12
  • Invited
• [Presentation] Smart Crystallography for Materials Science at SPring-8, (2013)
  • Author(s): Eiji Nishibori
  • Organizer: The 12th Asia Pacific Physics Conference of AAPPS
  • Place of Presentation: Makuhari Messe Chiba, Japan
  • Invited
• [Book] 株式会社エヌ・ティー・エス (2013)
  • Author(s): 西堀英治
  • Publisher: サーマルマネジメント ～余熱・排熱の制御と有効利用～