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Issue 20, 2020
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Exceeding the volcano relationship in oxygen reduction/evolution reactions using single-atom-based catalysts with dual-active-sites

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Abstract

Finding cost-effective catalysts to drive oxygen reduction/evolution reactions (ORR/OER) is a highly attractive goal. Most catalysts follow a volcano relationship of performance, making it difficult to search thoroughly enough among the huge number of possible structures to reach the volcano apex. Using first-principles simulations, we demonstrated that the design of single-atom-based catalysts (SACs) incorporating dual-active-sites breaks the universal scaling relationship between *OOH and *OH adsorption, leading to performances superior to those constrained to follow the volcano plot. Both a linear OER activity trend that reaches an ideal 0 V overpotential and a new linear scaling relation (free energy difference ΔGOOH = ΔGOH + 2.41 eV) that crosses the region of optimal limiting potentials in the volcano plot of the ORR are associated with our dual-active-site designs. This novel strategy of breaking the volcano dependence with dual-active-sites in SACs may promote the development of efficient electrocatalysts for the ORR/OER and other chemical reactions.

Graphical abstract: Exceeding the volcano relationship in oxygen reduction/evolution reactions using single-atom-based catalysts with dual-active-sites

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Article information


Submitted
05 Feb 2020
Accepted
07 May 2020
First published
07 May 2020

J. Mater. Chem. A, 2020,8, 10193-10198
Article type
Communication

Exceeding the volcano relationship in oxygen reduction/evolution reactions using single-atom-based catalysts with dual-active-sites

X. Li, S. Duan, E. Sharman, Y. Zhao, L. Yang, Z. Zhuo, P. Cui, J. Jiang and Y. Luo, J. Mater. Chem. A, 2020, 8, 10193
DOI: 10.1039/D0TA01399D

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