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Title: Structural Characterization of Ni-Substituted Hexaaluminate Catalysts Using EXAFS, XANES, XPS, XRD, and TPR

Abstract

The structure of five Ni-substituted Ba{sub 0.75}Ni{sub y}Al{sub 12-y}O{sub 19-{delta}} hexaaluminate catalysts at various Ni loadings (y = 0.2, 0.4, 0.6, 0.8 and 1.0) was investigated using EXAFS, XANES, XPS, XRD, and TPR. As Ni-substitution into the hexaaluminate lattice is increased, the unit cell dimension decreases along the c axis. This systematic change is consistent with Ni substitution for Al{sup 3+} in the hexaaluminate crystalline structure. XANES analysis suggests that Ni-O bonding is stronger for Ni substituted into the hexaaluminate lattice, relative to that of bulk NiO. The average coordination numbers obtained from EXAFS indicate that Ni is preferentially exchanging with tetrahedrally coordinated Al{sup 3+} in the structure which predominates in regions of the hexaaluminate unit cell near the mirror plane. It is at these sites that, preferential substitution of Ni{sup 2+} likely occurs to minimize strain in the crystalline lattice.

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:
1020131
Report Number(s):
BNL-95981-2011-JA
Journal ID: ISSN 1932-7447; TRN: US201116%%112
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: 17; Journal ID: ISSN 1932-7447
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BONDING; CATALYSTS; COORDINATION NUMBER; DIMENSIONS; MIRRORS; STRAINS; X-RAY DIFFRACTION; X-RAY PHOTOELECTRON SPECTROSCOPY; national synchrotron light source

Citation Formats

Gardner, J, Spivey, J, Kugler, E, Campos, A, Hissam, J, and Roy, A. Structural Characterization of Ni-Substituted Hexaaluminate Catalysts Using EXAFS, XANES, XPS, XRD, and TPR. United States: N. p., 2010. Web. doi:10.1021/jp9117634.
Gardner, J, Spivey, J, Kugler, E, Campos, A, Hissam, J, & Roy, A. Structural Characterization of Ni-Substituted Hexaaluminate Catalysts Using EXAFS, XANES, XPS, XRD, and TPR. United States. https://doi.org/10.1021/jp9117634
Gardner, J, Spivey, J, Kugler, E, Campos, A, Hissam, J, and Roy, A. 2010. "Structural Characterization of Ni-Substituted Hexaaluminate Catalysts Using EXAFS, XANES, XPS, XRD, and TPR". United States. https://doi.org/10.1021/jp9117634.
@article{osti_1020131,
title = {Structural Characterization of Ni-Substituted Hexaaluminate Catalysts Using EXAFS, XANES, XPS, XRD, and TPR},
author = {Gardner, J and Spivey, J and Kugler, E and Campos, A and Hissam, J and Roy, A},
abstractNote = {The structure of five Ni-substituted Ba{sub 0.75}Ni{sub y}Al{sub 12-y}O{sub 19-{delta}} hexaaluminate catalysts at various Ni loadings (y = 0.2, 0.4, 0.6, 0.8 and 1.0) was investigated using EXAFS, XANES, XPS, XRD, and TPR. As Ni-substitution into the hexaaluminate lattice is increased, the unit cell dimension decreases along the c axis. This systematic change is consistent with Ni substitution for Al{sup 3+} in the hexaaluminate crystalline structure. XANES analysis suggests that Ni-O bonding is stronger for Ni substituted into the hexaaluminate lattice, relative to that of bulk NiO. The average coordination numbers obtained from EXAFS indicate that Ni is preferentially exchanging with tetrahedrally coordinated Al{sup 3+} in the structure which predominates in regions of the hexaaluminate unit cell near the mirror plane. It is at these sites that, preferential substitution of Ni{sup 2+} likely occurs to minimize strain in the crystalline lattice.},
doi = {10.1021/jp9117634},
url = {https://www.osti.gov/biblio/1020131}, journal = {Journal of Physical Chemistry C},
issn = {1932-7447},
number = 17,
volume = 114,
place = {United States},
year = {Fri Jan 01 00:00:00 EST 2010},
month = {Fri Jan 01 00:00:00 EST 2010}
}