期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 22, 期 5, 页码 2615-2621出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c9cp01332f
关键词
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资金
- JSPS [26620110, 15H02173, 15J07459, 15A1004, 18A1005]
- NEDO
- X-ray Free Electron Laser Priority Strategic Program'' of MEXT, Japan
- Photon and Quantum Basic Research Coordinated Development Program'' of MEXT, Japan
- Grants-in-Aid for Scientific Research [26620110, 15H02173, 15J07459] Funding Source: KAKEN
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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