Photoinduced anisotropic distortion as the electron trapping site of tungsten trioxide by ultrafast W L 1 -edge X-ray absorption spectroscopy with full potential multiple scattering calculations

Akihiro Koide; Yohei Uemura; Daiki Kido; Yuki Wakisaka; Satoru Takakusagi; Bunsho Ohtani; Yasuhiro Niwa; Shunsuke Nozawa; Kohei Ichiyanagi; Ryo Fukaya; Shin-Ichi Adachi; Tetsuo Katayama; Tadashi Togashi; Shigeki Owada; Makina Yabashi; Yusaku Yamamoto; Misaki Katayama; Keisuke Hatada; Toshihiko Yokoyama; Kiyotaka Asakura

doi:10.1039/C9CP01332F

Journal articles

Photoinduced anisotropic distortion as the electron trapping site of tungsten trioxide by ultrafast W L 1 -edge X-ray absorption spectroscopy with full potential multiple scattering calculations

Akihiro Koide ^{1, 2} Yohei Uemura ^{2, 3, *} Daiki Kido ⁴ Yuki Wakisaka ⁴ Satoru Takakusagi ⁴ Bunsho Ohtani ⁴ Yasuhiro Niwa ⁵ Shunsuke Nozawa ⁵ Kohei Ichiyanagi ⁵ Ryo Fukaya ⁵ Shin-Ichi Adachi ⁵ Tetsuo Katayama ⁶ Tadashi Togashi ⁶ Shigeki Owada ⁷ Makina Yabashi ⁷ Yusaku Yamamoto ⁸ Misaki Katayama ⁸ Keisuke Hatada ⁹ Toshihiko Yokoyama ^{2, *} Kiyotaka Asakura ^{4, *}

* Corresponding author

1 IPR - Institut de Physique de Rennes

2 Institute for Molecular Science

3 Utrecht University [Utrecht]

4 Hokkaido University [Sapporo, Japan]

5 High energy accelerator research organization - KEK

6 JASRI - Japan Synchrotron Radiation Research Institute [Hyogo]

7 RIKEN - RIKEN - Institute of Physical and Chemical Research [Japon]

8 Ritsumeikan University

9 University of Toyama

Abstract : Understanding the excited state of photocatalysts is significant to improve their activity for water splitting reaction. X-ray absorption fine structure (XAFS) spectroscopy in X-ray free electron lasers (XFEL) is a powerful method to address dynamic changes in electronic states and structures of photocatalysts in the excited state in ultrafast short time scales. The ultrafast atomic-scale local structural change in photoexcited WO3 was observed by W L1 edge XAFS spectroscopy using an XFEL. An anisotropic local distortion around the W atom could reproduce well the spectral features at a delay time of 100 ps after photoexcitation based on full potential multiple scattering calculations. The distortion involved the movement of W to shrink the shortest W–O bonds and elongate the longest one. The movement of the W atom could be explained by the filling of the dxy and dzx orbitals, which were originally located at the bottom of the conduction band with photoexcited electrons.

Document type :

Journal articles

Domain :

Chemical Sciences

Physics [physics]

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