期刊
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
卷 138, 期 17, 页码 5511-5514出版社
AMER CHEMICAL SOC
DOI: 10.1021/jacs.6b01750
关键词
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资金
- Argonne-Northwestern Solar Energy Research (ANSER) Center, an Energy Frontier Research Center - U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences (US DOE-OS-BES) [DE-SC0001059]
- US DOE-OS-BES [DE-AC02-06CH11357]
The solution structures of highly active Ir water-oxidation catalysts are elucidated by combining density functional theory, high-energy X-ray scattering (HEXS), and extended X-ray absorption fine structure (EXAFS) spectroscopy. We find that the catalysts are Jr dimers with mono-mu-O cores and terminal anionic ligands, generated in situ through partial oxidation of a common catalyst precursor. The proposed structures are supported by H-1 and O-17 NMR, EPR, resonance Raman and UV-vis spectra, electrophoresis, etc. Our findings are particularly valuable to understand the mechanism of water oxidation by highly reactive Ir catalysts. Importantly, our DFT-EXAFS-HEXS methodology provides a new in situ technique for characterization of active species in catalytic systems.
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