Mechanism of Guaiacol Hydrodeoxygenation on Cu (111): Insights from Density Functional Theory Studies

Mechanism of Guaiacol Hydrodeoxygenation on Cu (111): Insights from Density Functional Theory Studies

Understanding the mechanism of the catalytic upgrade of bio-oils via the process of hydrodeoxygenation (HDO) is desirable to produce targeted oxygen-deficient bio-fuels. We have used calculations based on the density functional theory to investigate the reaction mechanism of HDO of guaiacol over Cu...

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Bibliographic Details
Main Authors: Destiny Konadu, Caroline Rosemyya Kwawu, Richard Tia, Evans Adei, Nora Henriette de Leeuw
Format: Article
Language:English
Published: MDPI AG 2021-04-01
Series:Catalysts
Subjects:
guaiacol
copper
hydrodeoxygenation
biomass
lignin
DFT
Online Access:https://www.mdpi.com/2073-4344/11/4/523

Internet

https://www.mdpi.com/2073-4344/11/4/523

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