Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls

Identifying active catalysts for the conversion of alcohols into aldehydes or ketones and molecular hydrogen is highly desirable. Here the authors develop and validate against experiments a screening model based on DFT calculations and scaling relationships for identifying alcohol dehydrogenation ca...

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Autores principales:	Tao Wang, Jin Sha, Maarten Sabbe, Philippe Sautet, Marc Pera-Titus, Carine Michel
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/9efa095e5c1648bc93d0f87dab00f412
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spelling	oai:doaj.org-article:9efa095e5c1648bc93d0f87dab00f4122021-12-02T15:09:10ZIdentification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls10.1038/s41467-021-25214-12041-1723https://doaj.org/article/9efa095e5c1648bc93d0f87dab00f4122021-08-01T00:00:00Zhttps://doi.org/10.1038/s41467-021-25214-1https://doaj.org/toc/2041-1723Identifying active catalysts for the conversion of alcohols into aldehydes or ketones and molecular hydrogen is highly desirable. Here the authors develop and validate against experiments a screening model based on DFT calculations and scaling relationships for identifying alcohol dehydrogenation catalysts.Tao WangJin ShaMaarten SabbePhilippe SautetMarc Pera-TitusCarine MichelNature PortfolioarticleScienceQENNature Communications, Vol 12, Iss 1, Pp 1-7 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Tao Wang Jin Sha Maarten Sabbe Philippe Sautet Marc Pera-Titus Carine Michel Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
description	Identifying active catalysts for the conversion of alcohols into aldehydes or ketones and molecular hydrogen is highly desirable. Here the authors develop and validate against experiments a screening model based on DFT calculations and scaling relationships for identifying alcohol dehydrogenation catalysts.
format	article
author	Tao Wang Jin Sha Maarten Sabbe Philippe Sautet Marc Pera-Titus Carine Michel
author_facet	Tao Wang Jin Sha Maarten Sabbe Philippe Sautet Marc Pera-Titus Carine Michel
author_sort	Tao Wang
title	Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
title_short	Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
title_full	Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
title_fullStr	Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
title_full_unstemmed	Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
title_sort	identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/9efa095e5c1648bc93d0f87dab00f412
work_keys_str_mv	AT taowang identificationofactivecatalystsfortheacceptorlessdehydrogenationofalcoholstocarbonyls AT jinsha identificationofactivecatalystsfortheacceptorlessdehydrogenationofalcoholstocarbonyls AT maartensabbe identificationofactivecatalystsfortheacceptorlessdehydrogenationofalcoholstocarbonyls AT philippesautet identificationofactivecatalystsfortheacceptorlessdehydrogenationofalcoholstocarbonyls AT marcperatitus identificationofactivecatalystsfortheacceptorlessdehydrogenationofalcoholstocarbonyls AT carinemichel identificationofactivecatalystsfortheacceptorlessdehydrogenationofalcoholstocarbonyls
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Identification of active catalysts for the acceptorless dehydrogenation of alcohols to carbonyls

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