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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 WO 3 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.

physical chemistry chemical physics

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

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

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