期刊
JOURNAL OF CHEMICAL PHYSICS
卷 129, 期 23, 页码 -出版社
AMER INST PHYSICS
DOI: 10.1063/1.3040271
关键词
catalysts; cerium compounds; copper; EXAFS; oxidation; principal component analysis; reaction kinetics; reduction (chemical); spectrochemical analysis; time resolved spectra
资金
- U. S. DOE [DE-FG02-03ER15476, DE-FG02-03ER15688, DE-AC02-98CH10886]
- Materials and Chemical Sciences of U. S. DOE
We present a robust data analysis method of time-resolved x-ray absorption spectroscopy experiments suitable for chemical speciation and structure determination of reaction intermediates. Chemical speciation is done by principal component analysis (PCA) of the time-resolved x-ray absorption near-edge structure data. Structural analysis of intermediate phases is done by theoretical modeling of their extended x-ray absorption fine-structure data isolated by PCA. The method is demonstrated using reduction and reoxidation of Cu-doped ceria catalysts where we detected reaction intermediates and measured fine details of the reaction kinetics. This approach can be directly adapted to many time-resolved x-ray spectroscopy experiments where new rapid throughput data collection and analysis methods are needed.
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