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Title: In-situ Characterization of Water-Gas Shift Catalysts using Time-Resolved X-ray Diffraction

Abstract

Time-resolved X-ray diffraction (XRD) has emerged as a powerful technique for studying the behavior of heterogeneous catalysts (metal oxides, sulfides, carbides, phosphides, zeolites, etc.) in-situ during reaction conditions. The technique can identify the active phase of a heterogeneous catalyst and how its structure changes after interacting with the reactants and products (80 K < T < 1200 K; P < 50 atm). In this article, we review a series of recent works that use in-situ time-resolved XRD for studying the water-gas shift reaction (WGS, CO + H2O ? H2 + CO2) over several mixed-metal oxides: CuMoO4, NiMoO4, Ce1-xCuxO2-d and CuFe2O4. Under reaction conditions the oxides undergo partial reduction. Neutral Cu0 (i.e. no Cu1+ or Cu2+ cations) and Ni0 are the active species in the catalysts, but interactions with the oxide support are necessary in order to obtain high catalytic activity. These studies illustrate the important role played by O vacancies in the mechanism for the WGS. In the case of Ce1-xCuxO2-d, Rietveld refinement shows expansions/contractions in the oxide lattice which track steps within the WGS process: CO(gas) + O(oxi) ? CO2(gas) + O(vac); H2O(gas) + O(vac) ? O(oxi) + H2(gas).

Authors:
; ; ; ; ; ;
Publication Date:
Research Org.:
Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source
Sponsoring Org.:
Doe - Office Of Science
OSTI Identifier:
980278
Report Number(s):
BNL-93196-2010-JA
Journal ID: ISSN 0920-5861; CATTEA; TRN: US201015%%1663
DOE Contract Number:  
DE-AC02-98CH10886
Resource Type:
Journal Article
Journal Name:
Catalysis Today
Additional Journal Information:
Journal Volume: 145; Journal Issue: 3-4; Journal ID: ISSN 0920-5861
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; CARBIDES; CATALYSTS; CATIONS; OXIDES; PHOSPHIDES; SULFIDES; VACANCIES; WATER GAS; X-RAY DIFFRACTION; ZEOLITES; national synchrotron light source

Citation Formats

Rodriguez, J, Hanson, J, Wen, W, Wang, X, Brito, J, Martnez-Arias, A, and Fernandez-Garca, M. In-situ Characterization of Water-Gas Shift Catalysts using Time-Resolved X-ray Diffraction. United States: N. p., 2009. Web. doi:10.1016/j.cattod.2008.11.018.
Rodriguez, J, Hanson, J, Wen, W, Wang, X, Brito, J, Martnez-Arias, A, & Fernandez-Garca, M. In-situ Characterization of Water-Gas Shift Catalysts using Time-Resolved X-ray Diffraction. United States. https://doi.org/10.1016/j.cattod.2008.11.018
Rodriguez, J, Hanson, J, Wen, W, Wang, X, Brito, J, Martnez-Arias, A, and Fernandez-Garca, M. 2009. "In-situ Characterization of Water-Gas Shift Catalysts using Time-Resolved X-ray Diffraction". United States. https://doi.org/10.1016/j.cattod.2008.11.018.
@article{osti_980278,
title = {In-situ Characterization of Water-Gas Shift Catalysts using Time-Resolved X-ray Diffraction},
author = {Rodriguez, J and Hanson, J and Wen, W and Wang, X and Brito, J and Martnez-Arias, A and Fernandez-Garca, M},
abstractNote = {Time-resolved X-ray diffraction (XRD) has emerged as a powerful technique for studying the behavior of heterogeneous catalysts (metal oxides, sulfides, carbides, phosphides, zeolites, etc.) in-situ during reaction conditions. The technique can identify the active phase of a heterogeneous catalyst and how its structure changes after interacting with the reactants and products (80 K < T < 1200 K; P < 50 atm). In this article, we review a series of recent works that use in-situ time-resolved XRD for studying the water-gas shift reaction (WGS, CO + H2O ? H2 + CO2) over several mixed-metal oxides: CuMoO4, NiMoO4, Ce1-xCuxO2-d and CuFe2O4. Under reaction conditions the oxides undergo partial reduction. Neutral Cu0 (i.e. no Cu1+ or Cu2+ cations) and Ni0 are the active species in the catalysts, but interactions with the oxide support are necessary in order to obtain high catalytic activity. These studies illustrate the important role played by O vacancies in the mechanism for the WGS. In the case of Ce1-xCuxO2-d, Rietveld refinement shows expansions/contractions in the oxide lattice which track steps within the WGS process: CO(gas) + O(oxi) ? CO2(gas) + O(vac); H2O(gas) + O(vac) ? O(oxi) + H2(gas).},
doi = {10.1016/j.cattod.2008.11.018},
url = {https://www.osti.gov/biblio/980278}, journal = {Catalysis Today},
issn = {0920-5861},
number = 3-4,
volume = 145,
place = {United States},
year = {Thu Jan 01 00:00:00 EST 2009},
month = {Thu Jan 01 00:00:00 EST 2009}
}