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Title: Experimental and Theoretical Insights into the Potential of V 2O 3 Surface Coatings for Hydrogen Permeable Vanadium Membranes

Abstract

A grand challenge of vanadium-based H 2 permeable membranes is the development of effective, cheap, and stable catalysts to facilitate H 2 dissociation and recombination. This article investigates a facile air treatment to form catalytically active vanadium oxide on the surfaces of dense vanadium foils. The treatment consisted of short air exposure followed by H 2 reduction at 823 K, which produced a well-faceted and nanocrystalline V 2O 3 layer on the foil surfaces. The resulting membranes display stable H 2 permeability of 2 ± 0.25 × 10 -8 mol·m -1·s -1·Pa -0.5, but transient declines in permeation are observed when operated at both elevated and reduced temperatures. DFT calculations revealed that V 2O 3 (0001) surfaces display barriers and adsorption energies for H 2 dissociation/recombination that are comparable to known H 2 activation catalysts. It was found that H 2 dissociation is expected to proceed spontaneously on metal-terminated V 2O 3, with recombinative-desorption anticipated as the rate limiting step.

Authors:
 [1];  [1];  [1]; ORCiD logo [1];  [1]; ORCiD logo [1]
  1. Colorado School of Mines, Golden, CO (United States). Dept. of Chemical and Biological Engineering
Publication Date:
Research Org.:
Colorado School of Mines, Golden, CO (United States)
Sponsoring Org.:
USDOE Advanced Research Projects Agency - Energy (ARPA-E); USDOE Office of Nuclear Energy (NE); National Science Foundation (NSF)
OSTI Identifier:
1457549
Grant/Contract Number:  
AR0000785; 1512172; 0000785
Resource Type:
Journal Article: Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 122; Journal Issue: 6; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
08 HYDROGEN; 36 MATERIALS SCIENCE; Vanadium oxide catalyst; Hydrogen purification; Group V metals; Metallic membranes; DFT simulation

Citation Formats

Fuerst, Thomas F., Petsalis, Elias P., Lundin, Sean-Thomas B., Wilcox, Jennifer, Way, J. Douglas, and Wolden, Colin A.. Experimental and Theoretical Insights into the Potential of V2O3 Surface Coatings for Hydrogen Permeable Vanadium Membranes. United States: N. p., 2018. Web. doi:10.1021/acs.jpcc.7b12132.
Fuerst, Thomas F., Petsalis, Elias P., Lundin, Sean-Thomas B., Wilcox, Jennifer, Way, J. Douglas, & Wolden, Colin A.. Experimental and Theoretical Insights into the Potential of V2O3 Surface Coatings for Hydrogen Permeable Vanadium Membranes. United States. doi:10.1021/acs.jpcc.7b12132.
Fuerst, Thomas F., Petsalis, Elias P., Lundin, Sean-Thomas B., Wilcox, Jennifer, Way, J. Douglas, and Wolden, Colin A.. Tue . "Experimental and Theoretical Insights into the Potential of V2O3 Surface Coatings for Hydrogen Permeable Vanadium Membranes". United States. doi:10.1021/acs.jpcc.7b12132.
@article{osti_1457549,
title = {Experimental and Theoretical Insights into the Potential of V2O3 Surface Coatings for Hydrogen Permeable Vanadium Membranes},
author = {Fuerst, Thomas F. and Petsalis, Elias P. and Lundin, Sean-Thomas B. and Wilcox, Jennifer and Way, J. Douglas and Wolden, Colin A.},
abstractNote = {A grand challenge of vanadium-based H2 permeable membranes is the development of effective, cheap, and stable catalysts to facilitate H2 dissociation and recombination. This article investigates a facile air treatment to form catalytically active vanadium oxide on the surfaces of dense vanadium foils. The treatment consisted of short air exposure followed by H2 reduction at 823 K, which produced a well-faceted and nanocrystalline V2O3 layer on the foil surfaces. The resulting membranes display stable H2 permeability of 2 ± 0.25 × 10-8 mol·m-1·s-1·Pa-0.5, but transient declines in permeation are observed when operated at both elevated and reduced temperatures. DFT calculations revealed that V2O3 (0001) surfaces display barriers and adsorption energies for H2 dissociation/recombination that are comparable to known H2 activation catalysts. It was found that H2 dissociation is expected to proceed spontaneously on metal-terminated V2O3, with recombinative-desorption anticipated as the rate limiting step.},
doi = {10.1021/acs.jpcc.7b12132},
journal = {Journal of Physical Chemistry. C},
number = 6,
volume = 122,
place = {United States},
year = {Tue Jan 23 00:00:00 EST 2018},
month = {Tue Jan 23 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on January 23, 2019
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