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Title: Insight into the mechanism of NO reduction in heterogenous catalysis
Author: Du, Yuwei
ISNI:       0000 0004 6057 4591
Awarding Body: Queen's University Belfast
Current Institution: Queen's University Belfast
Date of Award: 2016
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A systematic DFT investigation was carried out to elucidate the mechanism of SCR of NO with methane in conjunction with micro-kinetic modelling. Several experimental observations were explained by using DFT calculations, such as hydrogen promotion effect and the formation of NCO species during the reaction process.
Supervisor: Not available Sponsor: Not available
Qualification Name: Thesis (Ph.D.) Qualification Level: Doctoral
EThOS ID:  DOI: Not available