Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer

Abstract Two-dimensional (2D) graphene and graphene oxide (GO) offer great potential as a new type of cost-efficient proton-exchange membranes (PEM) for electrochemical devices. However, fundamental issues of proton transfer mechanism via 2D membranes are unclear and the transfer barrier for perfect...

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Autores principales:	Guo-Liang Chai, Stephen A. Shevlin, Zhengxiao Guo
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2017
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/54b69fbd54da4e529a6ffa9dfedbe308
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spelling	oai:doaj.org-article:54b69fbd54da4e529a6ffa9dfedbe3082021-12-02T15:06:16ZNitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer10.1038/s41598-017-05570-z2045-2322https://doaj.org/article/54b69fbd54da4e529a6ffa9dfedbe3082017-07-01T00:00:00Zhttps://doi.org/10.1038/s41598-017-05570-zhttps://doaj.org/toc/2045-2322Abstract Two-dimensional (2D) graphene and graphene oxide (GO) offer great potential as a new type of cost-efficient proton-exchange membranes (PEM) for electrochemical devices. However, fundamental issues of proton transfer mechanism via 2D membranes are unclear and the transfer barrier for perfect graphene are too high for practical application. Using ab initio molecular dynamic simulations, we screened the proton transfer barrier for different un-doped and nitrogen doped GO membranes, and clarified the corresponding transfer mechanisms. More significantly, we further identify that N-mediated GO can be built into a highly efficient PEM with a proton transfer rate of seven orders of magnitude higher than an un-doped case via. a proton relay mechanism between a ketone-like oxygen and a pyridine-like nitrogen across the vacancy site. The N-doped 2D GO is also impermeable to small molecules, and hence a highly efficient PEM for practical applications.Guo-Liang ChaiStephen A. ShevlinZhengxiao GuoNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 7, Iss 1, Pp 1-8 (2017)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Guo-Liang Chai Stephen A. Shevlin Zhengxiao Guo Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer
description	Abstract Two-dimensional (2D) graphene and graphene oxide (GO) offer great potential as a new type of cost-efficient proton-exchange membranes (PEM) for electrochemical devices. However, fundamental issues of proton transfer mechanism via 2D membranes are unclear and the transfer barrier for perfect graphene are too high for practical application. Using ab initio molecular dynamic simulations, we screened the proton transfer barrier for different un-doped and nitrogen doped GO membranes, and clarified the corresponding transfer mechanisms. More significantly, we further identify that N-mediated GO can be built into a highly efficient PEM with a proton transfer rate of seven orders of magnitude higher than an un-doped case via. a proton relay mechanism between a ketone-like oxygen and a pyridine-like nitrogen across the vacancy site. The N-doped 2D GO is also impermeable to small molecules, and hence a highly efficient PEM for practical applications.
format	article
author	Guo-Liang Chai Stephen A. Shevlin Zhengxiao Guo
author_facet	Guo-Liang Chai Stephen A. Shevlin Zhengxiao Guo
author_sort	Guo-Liang Chai
title	Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer
title_short	Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer
title_full	Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer
title_fullStr	Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer
title_full_unstemmed	Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer
title_sort	nitrogen-mediated graphene oxide enables highly efficient proton transfer
publisher	Nature Portfolio
publishDate	2017
url	https://doaj.org/article/54b69fbd54da4e529a6ffa9dfedbe308
work_keys_str_mv	AT guoliangchai nitrogenmediatedgrapheneoxideenableshighlyefficientprotontransfer AT stephenashevlin nitrogenmediatedgrapheneoxideenableshighlyefficientprotontransfer AT zhengxiaoguo nitrogenmediatedgrapheneoxideenableshighlyefficientprotontransfer
_version_	1718388512226541568

Nitrogen-Mediated Graphene Oxide Enables Highly Efficient Proton Transfer

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