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...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2021-04-01
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| Series: | Catalysts |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2073-4344/11/4/523 |