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Title: Copper Coordination in Cu-SSZ-13 and Cu-SSZ-16 Investigated by Variable-Temperature XRD

Abstract

Nitrogen oxides (NO{sub x}) are a major atmospheric pollutant produced through the combustion of fossil fuels in internal combustion engines. Copper-exchanged zeolites are promising as selective catalytic reduction catalysts for the direct conversion of NO into N{sub 2} and O{sub 2}, and recent reports have shown the enhanced performance of Cu-CHA catalysts over other zeolite frameworks in the NO decomposition of exhaust gas streams. In the present study, Rietveld refinement of variable-temperature XRD synchrotron data obtained for Cu-SSZ-13 and Cu-SSZ-16 is used to investigate the location of copper cations in the zeolite pores and the effect of temperature on these sites and on framework stability. The XRD patterns show that the thermal stability of SSZ-13 is increased significantly when copper is exchanged into the framework compared with the acid form of the zeolite, H-SSZ-13. Cu-SSZ-13 is also more thermally stable than Cu-SSZ-16. From the refined diffraction patterns, the atomic positions of atoms, copper locations and occupancies, and thermal displacement parameters were determined as a function of temperature for both zeolites. Copper is found in the cages coordinated to three oxygen atoms of the six-membered rings.

Authors:
;
Publication Date:
Research Org.:
Brookhaven National Laboratory (BNL) National Synchrotron Light Source
Sponsoring Org.:
DOE - OFFICE OF SCIENCE
OSTI Identifier:
1020133
Report Number(s):
BNL-95983-2011-JA
Journal ID: ISSN 1932-7447; TRN: US201116%%114
DOE Contract Number:  
DE-AC02-98CH10886
Resource Type:
Journal Article
Journal Name:
Journal of Physical Chemistry C
Additional Journal Information:
Journal Volume: 114; Journal Issue: 3; Journal ID: ISSN 1932-7447
Country of Publication:
United States
Language:
English
Subject:
33 ADVANCED PROPULSION SYSTEMS; ATOMS; CATALYSTS; CATIONS; COMBUSTION; COPPER; DIFFRACTION; FOSSIL FUELS; INTERNAL COMBUSTION ENGINES; NITROGEN OXIDES; OXYGEN; PERFORMANCE; POLLUTANTS; SELECTIVE CATALYTIC REDUCTION; STABILITY; SYNCHROTRONS; X-RAY DIFFRACTION; ZEOLITES; national synchrotron light source

Citation Formats

Fickel, D, and Lobo, R. Copper Coordination in Cu-SSZ-13 and Cu-SSZ-16 Investigated by Variable-Temperature XRD. United States: N. p., 2010. Web. doi:10.1021/jp9105025.
Fickel, D, & Lobo, R. Copper Coordination in Cu-SSZ-13 and Cu-SSZ-16 Investigated by Variable-Temperature XRD. United States. doi:10.1021/jp9105025.
Fickel, D, and Lobo, R. Fri . "Copper Coordination in Cu-SSZ-13 and Cu-SSZ-16 Investigated by Variable-Temperature XRD". United States. doi:10.1021/jp9105025.
@article{osti_1020133,
title = {Copper Coordination in Cu-SSZ-13 and Cu-SSZ-16 Investigated by Variable-Temperature XRD},
author = {Fickel, D and Lobo, R},
abstractNote = {Nitrogen oxides (NO{sub x}) are a major atmospheric pollutant produced through the combustion of fossil fuels in internal combustion engines. Copper-exchanged zeolites are promising as selective catalytic reduction catalysts for the direct conversion of NO into N{sub 2} and O{sub 2}, and recent reports have shown the enhanced performance of Cu-CHA catalysts over other zeolite frameworks in the NO decomposition of exhaust gas streams. In the present study, Rietveld refinement of variable-temperature XRD synchrotron data obtained for Cu-SSZ-13 and Cu-SSZ-16 is used to investigate the location of copper cations in the zeolite pores and the effect of temperature on these sites and on framework stability. The XRD patterns show that the thermal stability of SSZ-13 is increased significantly when copper is exchanged into the framework compared with the acid form of the zeolite, H-SSZ-13. Cu-SSZ-13 is also more thermally stable than Cu-SSZ-16. From the refined diffraction patterns, the atomic positions of atoms, copper locations and occupancies, and thermal displacement parameters were determined as a function of temperature for both zeolites. Copper is found in the cages coordinated to three oxygen atoms of the six-membered rings.},
doi = {10.1021/jp9105025},
journal = {Journal of Physical Chemistry C},
issn = {1932-7447},
number = 3,
volume = 114,
place = {United States},
year = {2010},
month = {1}
}