Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions

Changhyeok Choi; Geun Ho Gu; Juhwan Noh; Hyun S. Park; Yousung Jung

doi:10.1038/s41467-021-24539-1

Nature Communications (Jul 2021)

Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions

Changhyeok Choi,
Geun Ho Gu,
Juhwan Noh,
Hyun S. Park,
Yousung Jung

Affiliations

Changhyeok Choi: Department of Chemical and Biomolecular Engineering (BK21 four), Korea Advanced Institute of Science and Technology (KAIST)
Geun Ho Gu: Department of Chemical and Biomolecular Engineering (BK21 four), Korea Advanced Institute of Science and Technology (KAIST)
Juhwan Noh: Department of Chemical and Biomolecular Engineering (BK21 four), Korea Advanced Institute of Science and Technology (KAIST)
Hyun S. Park: Center for Hydrogen and Fuel Cell Research, Korea Institute of Science and Technology (KIST)
Yousung Jung: Department of Chemical and Biomolecular Engineering (BK21 four), Korea Advanced Institute of Science and Technology (KAIST)

DOI: https://doi.org/10.1038/s41467-021-24539-1
Journal volume & issue: Vol. 12, no. 1
pp. 1 – 11

Abstract

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Practical electrochemical N2 reduction reaction is challenged by competing side reactions. Here a combination of DFT and mikrokinetic modelling reveals the potential-dependent competition between electrochemical ammonia production and hydrogen evolution on a single-site iron catalyst embedded in N-doped graphene.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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