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This content will become publicly available on January 23, 2019

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

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:
Grant/Contract Number:
AR0000785; 1512172; 0000785
Type:
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
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)
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
OSTI Identifier:
1457549