Computational Investigation on Hydrodeoxygenation (HDO) of Acetone to Propylene on α-MoO3 (010) Surface
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DOI: 10.1021/acs.jpcc.7b02942
Abstract: 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-MoO3 (010)… read more here.
Keywords: 010 surface; hdo acetone; surface; hydrodeoxygenation hdo ... See more keywords