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Characterizing crystalline defects in single nanoparticles from angular correlations of single-shot diffracted X-rays

Daehyun You; Catalin Miron; Yuhiro Sato; Kiyonobu Nagaya; Michele Di Fraia; Carlo Callegari; Tsukasa Takanashi; Yoshiaki Kumagai; Tadashi Togashi; Koji Motomura; Giorgio Rossi; Hironobu Fukuzawa; Kensuke Tono; Maximilian Bucher; Taishi Ono; Liviu Neagu; Akinobu Niozu; Yiwen Li; Davide E. Galli; Alessandro Colombo; Tetsuo Katayama; Toshiyuki Nishiyama; Yasumasa Joti; Edwin Kukk; Kazuhiro Matsuda; Christoph Bostedtd; Takashi Kameshima; Yuta Ito; Kazuki Asa; Makina Yabashi; Shigeki Owada; Kiyoshi Uedab; Tommaso Pincelli

Characterizing crystalline defects in single nanoparticles from angular correlations of single-shot diffracted X-rays

Daehyun You
Catalin Miron
Yuhiro Sato
Kiyonobu Nagaya
Michele Di Fraia
Carlo Callegari
Tsukasa Takanashi
Yoshiaki Kumagai
Tadashi Togashi
Koji Motomura
Giorgio Rossi
Hironobu Fukuzawa
Kensuke Tono
Maximilian Bucher
Taishi Ono
Liviu Neagu
Akinobu Niozu
Yiwen Li
Davide E. Galli
Alessandro Colombo
Tetsuo Katayama
Toshiyuki Nishiyama
Yasumasa Joti
Edwin Kukk
Kazuhiro Matsuda
Christoph Bostedtd
Takashi Kameshima
Yuta Ito
Kazuki Asa
Makina Yabashi
Shigeki Owada
Kiyoshi Uedab
Tommaso Pincelli
Katso/Avaa
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INT UNION CRYSTALLOGRAPHY
doi:10.1107/S205225252000144X
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Julkaisun pysyvä osoite on:
https://urn.fi/URN:NBN:fi-fe2021042311735
Tiivistelmä
Characterizing and controlling the uniformity of nanoparticles is crucial for their application in science and technology because crystalline defects in the nanoparticles strongly affect their unique properties. Recently, ultra-short and ultra-bright X-ray pulses provided by X-ray free-electron lasers (XFELs) opened up the possibility of structure determination of nanometre-scale matter with angstrom spatial resolution. However, it is often difficult to reconstruct the 3D structural information from single-shot X-ray diffraction patterns owing to the random orientation of the particles. This report proposes an analysis approach for characterizing defects in nanoparticles using wide-angle X-ray scattering (WAXS) data from free-flying single nanoparticles. The analysis method is based on the concept of correlated X-ray scattering, in which correlations of scattered X-ray are used to recover detailed structural information. WAXS experiments of xenon nanoparticles, or clusters, were conducted at an XFEL facility in Japan by using the SPring-8 Angstrom compact free-electron laser (SACLA). Bragg spots in the recorded single-shot X-ray diffraction patterns showed clear angular correlations, which offered significant structural information on the nanoparticles. The experimental angular correlations were reproduced by numerical simulation in which kinematical theory of diffraction was combined with geometric calculations. We also explain the diffuse scattering intensity as being due to the stacking faults in the xenon clusters.
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