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

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-d...

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Autores principales:	Changhyeok Choi, Geun Ho Gu, Juhwan Noh, Hyun S. Park, Yousung Jung
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/f6b88d727b194d44afccd4da3cc86368
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spelling	oai:doaj.org-article:f6b88d727b194d44afccd4da3cc863682021-12-02T18:31:30ZUnderstanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions10.1038/s41467-021-24539-12041-1723https://doaj.org/article/f6b88d727b194d44afccd4da3cc863682021-07-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-24539-1https://doaj.org/toc/2041-1723Practical 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.Changhyeok ChoiGeun Ho GuJuhwan NohHyun S. ParkYousung JungNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-11 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Changhyeok Choi Geun Ho Gu Juhwan Noh Hyun S. Park Yousung Jung Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
description	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.
format	article
author	Changhyeok Choi Geun Ho Gu Juhwan Noh Hyun S. Park Yousung Jung
author_facet	Changhyeok Choi Geun Ho Gu Juhwan Noh Hyun S. Park Yousung Jung
author_sort	Changhyeok Choi
title	Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
title_short	Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
title_full	Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
title_fullStr	Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
title_full_unstemmed	Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
title_sort	understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/f6b88d727b194d44afccd4da3cc86368
work_keys_str_mv	AT changhyeokchoi understandingpotentialdependentcompetitionbetweenelectrocatalyticdinitrogenandprotonreductionreactions AT geunhogu understandingpotentialdependentcompetitionbetweenelectrocatalyticdinitrogenandprotonreductionreactions AT juhwannoh understandingpotentialdependentcompetitionbetweenelectrocatalyticdinitrogenandprotonreductionreactions AT hyunspark understandingpotentialdependentcompetitionbetweenelectrocatalyticdinitrogenandprotonreductionreactions AT yousungjung understandingpotentialdependentcompetitionbetweenelectrocatalyticdinitrogenandprotonreductionreactions
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Understanding potential-dependent competition between electrocatalytic dinitrogen and proton reduction reactions

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