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:
Q
Acceso en línea:https://doaj.org/article/d389934eaea04d959c4019a80cd9dcf5
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