Computational Investigation on Hydrodeoxygenation (HDO) of Acetone to Propylene on α-MoO 3 (010) Surface

Computational Investigation on Hydrodeoxygenation (HDO) of Acetone to Propylene on α-MoO 3 (010) Surface

© 2017 American Chemical Society. Density functional theory (DFT) calculations were performed on the multistep hydrodeoxygenation (HDO) of acetone (CH3COCH3) to propylene (CH3CHCH2) on a molybdenum oxide (α-MoO3) catalyst following an oxygen vacancy-driven pathway. First, a perfect O-terminated α-Mo...

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Bibliographic Details
Main Authors: Shetty, Manish, Buesser, Beat, Román-Leshkov, Yuriy, Green, William H
Other Authors: Massachusetts Institute of Technology. Department of Chemical Engineering
Format: Article
Language:English
Published: American Chemical Society (ACS) 2021
Online Access:https://hdl.handle.net/1721.1/134999

Internet

https://hdl.handle.net/1721.1/134999

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