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Title: On Transferability of Performance Metrics for Redox-Active Molecules

Abstract

Because of their lower material costs, redox-active organic molecules (ROMs) are increasingly used in flow cells. Quantification of their electrochemical stability is important for choosing between different battery chemistries. Ad hoc performance metrics such as cycle numbers have been used to guide materials discovery, but it is unclear whether such metrics are suitable for the intended use. Here, we suggest a kinetic model allowing a narrower definition of cyclability by interpreting it through intrinsic parameters. Using this model, we examine systematic data on cycling and calendar stabilities for dialkoxyarene ROMs in stationary cells. Even for these closely related ROMs, the cycling numbers strongly depend on minor changes in test protocols and structure, which argue against the universality and transferability of these commonly used metrics. Recommendations regarding the standardization of testing protocols are suggested in light of these findings.

Authors:
 [1]; ORCiD logo [2]; ORCiD logo [2];  [1]; ORCiD logo [2]
  1. Argonne National Lab. (ANL), Argonne, IL (United States); Univ. of Michigan, Ann Arbor, MI (United States)
  2. Argonne National Lab. (ANL), Argonne, IL (United States)
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
OSTI Identifier:
1559934
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Physical Chemistry. C
Additional Journal Information:
Journal Volume: 123; Journal Issue: 27; Journal ID: ISSN 1932-7447
Publisher:
American Chemical Society
Country of Publication:
United States
Language:
English
Subject:
25 ENERGY STORAGE; chemical stability; electrochemistry; redox flow batteries

Citation Formats

Silcox, Benjamin, Zhang, Jingjing, Shkrob, Ilya A., Thompson, Levi, and Zhang, Lu. On Transferability of Performance Metrics for Redox-Active Molecules. United States: N. p., 2019. Web. doi:10.1021/acs.jpcc.9b02230.
Silcox, Benjamin, Zhang, Jingjing, Shkrob, Ilya A., Thompson, Levi, & Zhang, Lu. On Transferability of Performance Metrics for Redox-Active Molecules. United States. https://doi.org/10.1021/acs.jpcc.9b02230
Silcox, Benjamin, Zhang, Jingjing, Shkrob, Ilya A., Thompson, Levi, and Zhang, Lu. Thu . "On Transferability of Performance Metrics for Redox-Active Molecules". United States. https://doi.org/10.1021/acs.jpcc.9b02230. https://www.osti.gov/servlets/purl/1559934.
@article{osti_1559934,
title = {On Transferability of Performance Metrics for Redox-Active Molecules},
author = {Silcox, Benjamin and Zhang, Jingjing and Shkrob, Ilya A. and Thompson, Levi and Zhang, Lu},
abstractNote = {Because of their lower material costs, redox-active organic molecules (ROMs) are increasingly used in flow cells. Quantification of their electrochemical stability is important for choosing between different battery chemistries. Ad hoc performance metrics such as cycle numbers have been used to guide materials discovery, but it is unclear whether such metrics are suitable for the intended use. Here, we suggest a kinetic model allowing a narrower definition of cyclability by interpreting it through intrinsic parameters. Using this model, we examine systematic data on cycling and calendar stabilities for dialkoxyarene ROMs in stationary cells. Even for these closely related ROMs, the cycling numbers strongly depend on minor changes in test protocols and structure, which argue against the universality and transferability of these commonly used metrics. Recommendations regarding the standardization of testing protocols are suggested in light of these findings.},
doi = {10.1021/acs.jpcc.9b02230},
journal = {Journal of Physical Chemistry. C},
number = 27,
volume = 123,
place = {United States},
year = {Thu Jun 13 00:00:00 EDT 2019},
month = {Thu Jun 13 00:00:00 EDT 2019}
}

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