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Published in 2021 at "Catalysis Today"
DOI: 10.1016/j.cattod.2020.11.021
Abstract: Abstract Density functional theory (DFT) simulations are conducted to understand the differentiation of activity and selectivity trends between primary and secondary alcohols towards the non-oxidative dehydrogenation (NODH) reaction. Propanol and isopropanol are employed as model…
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Keywords:
selectivity trends;
dehydrogenation;
primary secondary;
mol ... See more keywords