A DFT study of diesel exhaust NOx reduction over rare earth CeO2 catalyst
Adsorption of NO on the CeO2(110) surface was investigated using RPBE approach of GGA within the framework of density functional theory (DFT) combined with periodic slab model. Two molecular orientations, N-end and O-end, over various adsorption sites, top, hollow, bridge and O site of CeO2(110) sur...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
EDP Sciences
2020-01-01
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| Series: | E3S Web of Conferences |
| Online Access: | https://www.e3s-conferences.org/articles/e3sconf/pdf/2020/15/e3sconf_heet2020_01013.pdf |