The electrochemical-step asymmetry index

The development of oxygen-evolution reaction (OER) electrocatalysts has been spurred by thermodynamic considerations on the free-energy landscape. Most commonly, electrocatalytic activity is approximated by the analysis of the free-energy changes among the mechanistic description, thereby taking onl...

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Autor principal:	Kai S. Exner
Formato:	article
Lenguaje:	EN
Publicado:	Elsevier 2021
Materias:	The Electrochemical-Step Asymmetry Index Science Q
Acceso en línea:	https://doaj.org/article/384266509f6c4455b1ddf8cc03336450
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id	oai:doaj.org-article:384266509f6c4455b1ddf8cc03336450
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spelling	oai:doaj.org-article:384266509f6c4455b1ddf8cc033364502021-11-26T04:30:16ZThe electrochemical-step asymmetry index2215-016110.1016/j.mex.2021.101590https://doaj.org/article/384266509f6c4455b1ddf8cc033364502021-01-01T00:00:00Zhttp://www.sciencedirect.com/science/article/pii/S2215016121003800https://doaj.org/toc/2215-0161The development of oxygen-evolution reaction (OER) electrocatalysts has been spurred by thermodynamic considerations on the free-energy landscape. Most commonly, electrocatalytic activity is approximated by the analysis of the free-energy changes among the mechanistic description, thereby taking only reaction steps with weak-binding adsorbates into account. Herein, a new method, denoted as the electrochemical-step asymmetry index (ESAI), is presented, which approximates electrocatalytic activity by penalizing both too strong as well as too weak bonding of intermediate states in order to mimic the well-known Sabatier principle. • The electrochemical-step asymmetry index (ESAI) is a descriptor to approximate electrocatalytic activity based on the analysis of the free-energy changes for a given mechanistic description, exemplified by the oxygen evolution reaction (OER). • The concept of the ESAI is based on the assumption that the optimum free-energy landscape has an asymmetric shape because this may factor overpotential and kinetic effects in the analysis, and the ESAI penalizes both too strong as well as too weak bonding of intermediate states to render a thorough representation of the Sabatier principle feasible. • The ESAI is a conceptual development of the earlier proposed electrochemical-step symmetry index (ESSI), which relies on a symmetric distribution of the free-energy changes as thermodynamic optimum and which takes only weak-binding adsorbates into account.Kai S. ExnerElsevierarticleThe Electrochemical-Step Asymmetry IndexScienceQENMethodsX, Vol 8, Iss , Pp 101590- (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	The Electrochemical-Step Asymmetry Index Science Q
spellingShingle	The Electrochemical-Step Asymmetry Index Science Q Kai S. Exner The electrochemical-step asymmetry index
description	The development of oxygen-evolution reaction (OER) electrocatalysts has been spurred by thermodynamic considerations on the free-energy landscape. Most commonly, electrocatalytic activity is approximated by the analysis of the free-energy changes among the mechanistic description, thereby taking only reaction steps with weak-binding adsorbates into account. Herein, a new method, denoted as the electrochemical-step asymmetry index (ESAI), is presented, which approximates electrocatalytic activity by penalizing both too strong as well as too weak bonding of intermediate states in order to mimic the well-known Sabatier principle. • The electrochemical-step asymmetry index (ESAI) is a descriptor to approximate electrocatalytic activity based on the analysis of the free-energy changes for a given mechanistic description, exemplified by the oxygen evolution reaction (OER). • The concept of the ESAI is based on the assumption that the optimum free-energy landscape has an asymmetric shape because this may factor overpotential and kinetic effects in the analysis, and the ESAI penalizes both too strong as well as too weak bonding of intermediate states to render a thorough representation of the Sabatier principle feasible. • The ESAI is a conceptual development of the earlier proposed electrochemical-step symmetry index (ESSI), which relies on a symmetric distribution of the free-energy changes as thermodynamic optimum and which takes only weak-binding adsorbates into account.
format	article
author	Kai S. Exner
author_facet	Kai S. Exner
author_sort	Kai S. Exner
title	The electrochemical-step asymmetry index
title_short	The electrochemical-step asymmetry index
title_full	The electrochemical-step asymmetry index
title_fullStr	The electrochemical-step asymmetry index
title_full_unstemmed	The electrochemical-step asymmetry index
title_sort	electrochemical-step asymmetry index
publisher	Elsevier
publishDate	2021
url	https://doaj.org/article/384266509f6c4455b1ddf8cc03336450
work_keys_str_mv	AT kaisexner theelectrochemicalstepasymmetryindex AT kaisexner electrochemicalstepasymmetryindex
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The electrochemical-step asymmetry index

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