Issue 11, 2022

SnO2-supported single metal atoms: a bifunctional catalyst for the electrochemical synthesis of H2O2

Abstract

On-site hydrogen peroxide (H2O2) production via electrochemical methods, such as two-electron water oxidation reaction (2e-WOR) and two-electron oxygen reduction reaction (2e-ORR), offer an attractive alternative to the anthraquinone oxidation (AO) process. However, for 2e-WOR and 2e-ORR to hold any industrial relevance, inexpensive, stable, highly efficient, selective, and environmentally benign electrocatalysts must be developed. Designing a catalyst to meet such an extensive criterion remains a challenge. Single-atom catalysts (SACs), combining the benefits of heterogenous and homogenous catalysis, have drawn immense attention due to their distinguished catalytic performance. Ergo, we aim towards the exploration of a bifunctional SAC material capable of catalyzing the 2e-WOR and 2e-ORR to produce H2O2. Through density functional theory (DFT) calculations we investigate the catalytic activity, selectivity, and stability of SnO2-supported SACs. Considering 16 different single metal atoms, various promising candidates were identified. Particularly, Mn, Ti and Fe were found to be markedly active and selective 2e-WOR catalysts and W for the 2e-ORR. This work highlights the immense potential of bifunctional systems; a route towards increasing H2O2 yields while simultaneously minimizing manufacturing complexity and cost.

Graphical abstract: SnO2-supported single metal atoms: a bifunctional catalyst for the electrochemical synthesis of H2O2

Supplementary files

Article information

Article type
Paper
Submitted
03 Sept. 2021
Accepted
17 Nov. 2021
First published
25 Nov. 2021

J. Mater. Chem. A, 2022,10, 6115-6121

SnO2-supported single metal atoms: a bifunctional catalyst for the electrochemical synthesis of H2O2

S. Jimenez-Villegas, S. R. Kelly and S. Siahrostami, J. Mater. Chem. A, 2022, 10, 6115 DOI: 10.1039/D1TA07562D

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