Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)

Dissociative chemisorption of methanol on metal surfaces is a key step for hydrogen production. Here the authors use quasi-quantized molecular dynamics simulations to alter the branching ratios for methanol dissociative chemisorption on Cu(111) via selectively exciting specific vibrational modes.

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Autores principales:	Jialu Chen, Xueyao Zhou, Yaolong Zhang, Bin Jiang
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2018
Materias:	Science Q
Acceso en línea:	https://doaj.org/article/d389934eaea04d959c4019a80cd9dcf5
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spelling	oai:doaj.org-article:d389934eaea04d959c4019a80cd9dcf52021-12-02T16:49:52ZVibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)10.1038/s41467-018-06478-62041-1723https://doaj.org/article/d389934eaea04d959c4019a80cd9dcf52018-10-01T00:00:00Zhttps://doi.org/10.1038/s41467-018-06478-6https://doaj.org/toc/2041-1723Dissociative chemisorption of methanol on metal surfaces is a key step for hydrogen production. Here the authors use quasi-quantized molecular dynamics simulations to alter the branching ratios for methanol dissociative chemisorption on Cu(111) via selectively exciting specific vibrational modes.Jialu ChenXueyao ZhouYaolong ZhangBin JiangNature PortfolioarticleScienceQENNature Communications, Vol 9, Iss 1, Pp 1-7 (2018)
institution	DOAJ
collection	DOAJ
language	EN
topic	Science Q
spellingShingle	Science Q Jialu Chen Xueyao Zhou Yaolong Zhang Bin Jiang Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)
description	Dissociative chemisorption of methanol on metal surfaces is a key step for hydrogen production. Here the authors use quasi-quantized molecular dynamics simulations to alter the branching ratios for methanol dissociative chemisorption on Cu(111) via selectively exciting specific vibrational modes.
format	article
author	Jialu Chen Xueyao Zhou Yaolong Zhang Bin Jiang
author_facet	Jialu Chen Xueyao Zhou Yaolong Zhang Bin Jiang
author_sort	Jialu Chen
title	Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)
title_short	Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)
title_full	Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)
title_fullStr	Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)
title_full_unstemmed	Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)
title_sort	vibrational control of selective bond cleavage in dissociative chemisorption of methanol on cu(111)
publisher	Nature Portfolio
publishDate	2018
url	https://doaj.org/article/d389934eaea04d959c4019a80cd9dcf5
work_keys_str_mv	AT jialuchen vibrationalcontrolofselectivebondcleavageindissociativechemisorptionofmethanoloncu111 AT xueyaozhou vibrationalcontrolofselectivebondcleavageindissociativechemisorptionofmethanoloncu111 AT yaolongzhang vibrationalcontrolofselectivebondcleavageindissociativechemisorptionofmethanoloncu111 AT binjiang vibrationalcontrolofselectivebondcleavageindissociativechemisorptionofmethanoloncu111
_version_	1718383186618089472

Vibrational control of selective bond cleavage in dissociative chemisorption of methanol on Cu(111)

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