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Title: Aqua-vanadyl ion interaction with Nafion® membranes

Abstract

Lack of comprehensive understanding about the interactions between Nafion membrane and battery electrolytes prevents the straightforward tailoring of optimal materials for redox flow battery applications. In this work, we analyzed the interaction between aqua-vanadyl cation and sulfonic sites within the pores of Nafion membranes using combined theoretical and experimental X-ray spectroscopic methods. Molecular level interactions, namely, solvent share and contact pair mechanisms are discussed based on Vanadium and Sulfur K-edge spectroscopic analysis.

Authors:
 [1];  [2];  [1];  [1];  [1];  [2];  [1];  [1]
+ Show Author Affiliations
  1. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Energy and Environmental Directorate
  2. Pacific Northwest National Lab. (PNNL), Richland, WA (United States). Environmental Molecular Sciences Lab. (EMSL)
Publication Date:
Research Org.:
Pacific Northwest National Laboratory (PNNL), Richland, WA (United States). Environmental Molecular Sciences Laboratory (EMSL)
Sponsoring Org.:
USDOE Office of Science (SC), Biological and Environmental Research (BER); USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1221490
Report Number(s):
PNNL-SA-108088
Journal ID: ISSN 2296-598X; 48374; TE1400000
Grant/Contract Number:  
AC05-76RL01830; AC02-76SF00515
Resource Type:
Accepted Manuscript
Journal Name:
Frontiers in Energy Research
Additional Journal Information:
Journal Volume: 3; Journal ID: ISSN 2296-598X
Publisher:
Frontiers Research Foundation
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; ion exchange membrane; redox flow battery; X-ray absorption spectroscopy; TD-DFT; Environmental Molecular Sciences Laboratory

Citation Formats

Vijayakumar, Murugesan, Govind, Niranjan, Li, Bin, Wei, Xiaoliang, Nie, Zimin, Thevuthasan, Suntharampillai, Sprenkle, Vince L., and Wang, Wei. Aqua-vanadyl ion interaction with Nafion® membranes. United States: N. p., 2015. Web. doi:10.3389/fenrg.2015.00010.
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Vijayakumar, Murugesan, Govind, Niranjan, Li, Bin, Wei, Xiaoliang, Nie, Zimin, Thevuthasan, Suntharampillai, Sprenkle, Vince L., & Wang, Wei. Aqua-vanadyl ion interaction with Nafion® membranes. United States. https://doi.org/10.3389/fenrg.2015.00010
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Vijayakumar, Murugesan, Govind, Niranjan, Li, Bin, Wei, Xiaoliang, Nie, Zimin, Thevuthasan, Suntharampillai, Sprenkle, Vince L., and Wang, Wei. Mon . "Aqua-vanadyl ion interaction with Nafion® membranes". United States. https://doi.org/10.3389/fenrg.2015.00010. https://www.osti.gov/servlets/purl/1221490.
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@article{osti_1221490,
title = {Aqua-vanadyl ion interaction with Nafion® membranes},
author = {Vijayakumar, Murugesan and Govind, Niranjan and Li, Bin and Wei, Xiaoliang and Nie, Zimin and Thevuthasan, Suntharampillai and Sprenkle, Vince L. and Wang, Wei},
abstractNote = {Lack of comprehensive understanding about the interactions between Nafion membrane and battery electrolytes prevents the straightforward tailoring of optimal materials for redox flow battery applications. In this work, we analyzed the interaction between aqua-vanadyl cation and sulfonic sites within the pores of Nafion membranes using combined theoretical and experimental X-ray spectroscopic methods. Molecular level interactions, namely, solvent share and contact pair mechanisms are discussed based on Vanadium and Sulfur K-edge spectroscopic analysis.},
doi = {10.3389/fenrg.2015.00010},
journal = {Frontiers in Energy Research},
number = ,
volume = 3,
place = {United States},
year = {Mon Mar 23 00:00:00 EDT 2015},
month = {Mon Mar 23 00:00:00 EDT 2015}
}
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Journal Article:
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Publisher's Version of Record
https://doi.org/10.3389/fenrg.2015.00010
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Investigation of local environments in Nafion–SiO2 composite membranes used in vanadium redox flow batteries
journal, April 2012

Self‐consistent molecular orbital methods. XX. A basis set for correlated wave functions
journal, January 1980

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A new mixing of Hartree–Fock and local density‐functional theories
journal, January 1993

  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 2
  • DOI: 10.1063/1.464304

Membranes for Redox Flow Battery Applications
journal, June 2012

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    Chemical state changes of Nafion in model polymer electrolyte fuel cell under oxygen/hydrogen gas atmosphere observed by S-K XANES spectroscopy
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    • Isegawa, Kazuhisa; Kim, Daehyun; Kondoh, Hiroshi
    • RSC Advances, Vol. 8, Issue 67
    • DOI: 10.1039/c8ra06426a
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