Substrate-Driven Electrochemical Stabilization And Activation Of Ag Monolayers To Catalyze The Oxygen Reduction Reaction: Beyond Pt-Based Electrocatalysts

Keywords

Density functional theory; Oxygen reduction reaction; Rational design

Abstract

The search for inexpensive, stable and active electrocatalysts for the oxygen reduction reaction (ORR) on hydrogen fuel cell cathodes is severely limited because only expensive and scarce elements such as gold and platinum-group elements do not dissolve or oxidize in the reaction environment at acceptable operating cathode potentials. Fortunately, the potential at which dissolution sets in for an element can be increased if a monolayer of such element strongly binds to a suitable substrate. Here, we apply the latter approach to stabilize Ag in the ORR reaction environment by placing a Ag monolayer on Nb, W, Ta, and Ru/Nb substrates. Our first principles calculations and ORR thermodynamics analysis show that all the systems are thermodynamically stable. Ag/Nb has a dissolution potential higher than that of Pt and can be as active toward ORR as Pt. Notably, the cost of Ag/Nb is strikingly lower than that of any Pt-based ORR catalyst.

Publication Date

6-22-2018

Publication Title

ChemistrySelect

Volume

3

Issue

23

Number of Pages

6536-6541

Document Type

Article

Personal Identifier

scopus

DOI Link

https://doi.org/10.1002/slct.201801270

Socpus ID

85048936948 (Scopus)

Source API URL

https://api.elsevier.com/content/abstract/scopus_id/85048936948

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