A DFT study of the adsorption energy and electronic interactions of the SO2 molecule on a CoP hydrotreating catalyst
Author:
Affiliation:
1. Department of Chemical Engineering
2. Khalifa University
3. Abu Dhabi
4. UAE
5. Center on Catalysis and Separation (CeCaS)
6. Department of Mechanical Engineering
Abstract
The adsorption energy and electronic properties of sulfur dioxide (SO2) adsorbed on different low-Miller index cobalt phosphide (CoP) surfaces were examined using density functional theory (DFT).
Funder
Khalifa University of Science, Technology and Research
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2021/RA/C9RA10634K
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