Insight into the mechanism of NO reduction in heterogenous catalysis
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 r...
Main Author: | Du, Yuwei |
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Published: |
Queen's University Belfast
2016
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Subjects: | |
Online Access: | http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.706459 |
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