4.6 Article

Photoinduced anisotropic distortion as the electron trapping site of tungsten trioxide by ultrafast W L1-edge X-ray absorption spectroscopy with full potential multiple scattering calculations

Journal

PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 22, Issue 5, Pages 2615-2621

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cp01332f

Keywords

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Funding

  1. JSPS [26620110, 15H02173, 15J07459, 15A1004, 18A1005]
  2. NEDO
  3. X-ray Free Electron Laser Priority Strategic Program'' of MEXT, Japan
  4. Photon and Quantum Basic Research Coordinated Development Program'' of MEXT, Japan
  5. Grants-in-Aid for Scientific Research [26620110, 15H02173, 15J07459] Funding Source: KAKEN

Ask authors/readers for more resources

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 L-1 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 d(xy) and d(zx) orbitals, which were originally located at the bottom of the conduction band with photoexcited electrons.

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