Vinyl alcohol formation via catalytic β-dehydrogenation of ethanol on Ir(100)

Vinyl alcohol formation via catalytic β-dehydrogenation of ethanol on Ir(100)

Dehydrogenation of ethanol, CH3CH2OH, on Ir(100) was studied using Density Functional Theory (DFT) calculations. β-dehydrogenation of ethanol to CH2CH2OH has the lowest energy barrier, 0.30eV, among the three pathways. Vinyl alcohol (VA, CH2CHOH), can be formed from dehydrogenation of CH2CH2OH by ov...

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Bibliographic Details
Main Authors: Ruitao Wu, Lichang Wang
Format: Article
Language:English
Published: Elsevier 2021-12-01
Series:Chemical Physics Impact
Subjects:
Vinyl alcohol
Ethanol
Dehydrogenation
Ir catalyst
Density Functional Theory
Transition State Theory
Online Access:http://www.sciencedirect.com/science/article/pii/S2667022421000293

Internet

http://www.sciencedirect.com/science/article/pii/S2667022421000293

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