Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database

The production of hydrogen from biomass is of fundamental importance for a sustainable future. Here, the authors present a multiscale method that allows the formulation of scaling relationships and microkinetics of C1-C2 alcohol decomposition based on a density functional theory open database.

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Autores principales:	Qiang Li, Rodrigo García-Muelas, Núria López
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/eb0681b6ec644384b85ea5bdec3e5e9b
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spelling	oai:doaj.org-article:eb0681b6ec644384b85ea5bdec3e5e9b2021-12-02T17:32:14ZMicrokinetics of alcohol reforming for H2 production from a FAIR density functional theory database10.1038/s41467-018-02884-y2041-1723https://doaj.org/article/eb0681b6ec644384b85ea5bdec3e5e9b2018-02-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-02884-yhttps://doaj.org/toc/2041-1723The production of hydrogen from biomass is of fundamental importance for a sustainable future. Here, the authors present a multiscale method that allows the formulation of scaling relationships and microkinetics of C1-C2 alcohol decomposition based on a density functional theory open database.Qiang LiRodrigo García-MuelasNúria LópezNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-8 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Qiang Li Rodrigo García-Muelas Núria López Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database
description	The production of hydrogen from biomass is of fundamental importance for a sustainable future. Here, the authors present a multiscale method that allows the formulation of scaling relationships and microkinetics of C1-C2 alcohol decomposition based on a density functional theory open database.
format	article
author	Qiang Li Rodrigo García-Muelas Núria López
author_facet	Qiang Li Rodrigo García-Muelas Núria López
author_sort	Qiang Li
title	Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database
title_short	Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database
title_full	Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database
title_fullStr	Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database
title_full_unstemmed	Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database
title_sort	microkinetics of alcohol reforming for h2 production from a fair density functional theory database
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/eb0681b6ec644384b85ea5bdec3e5e9b
work_keys_str_mv	AT qiangli microkineticsofalcoholreformingforh2productionfromafairdensityfunctionaltheorydatabase AT rodrigogarciamuelas microkineticsofalcoholreformingforh2productionfromafairdensityfunctionaltheorydatabase AT nurialopez microkineticsofalcoholreformingforh2productionfromafairdensityfunctionaltheorydatabase
_version_	1718380404674658304

Microkinetics of alcohol reforming for H2 production from a FAIR density functional theory database

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