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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Bibliographic Details
Main Authors: Jialu Chen, Xueyao Zhou, Yaolong Zhang, Bin Jiang
Format: article
Language:EN
Published: Nature Portfolio 2018
Subjects:
Q
Online Access:https://doaj.org/article/d389934eaea04d959c4019a80cd9dcf5
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Summary: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.