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...
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Queen's University Belfast
2016
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ndltd-bl.uk-oai-ethos.bl.uk-7064592017-07-25T03:44:06ZInsight into the mechanism of NO reduction in heterogenous catalysisDu, Yuwei2016A 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.547Queen's University Belfasthttp://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.706459Electronic Thesis or Dissertation |
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547 Du, Yuwei Insight into the mechanism of NO reduction in heterogenous catalysis |
description |
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. |
author |
Du, Yuwei |
author_facet |
Du, Yuwei |
author_sort |
Du, Yuwei |
title |
Insight into the mechanism of NO reduction in heterogenous catalysis |
title_short |
Insight into the mechanism of NO reduction in heterogenous catalysis |
title_full |
Insight into the mechanism of NO reduction in heterogenous catalysis |
title_fullStr |
Insight into the mechanism of NO reduction in heterogenous catalysis |
title_full_unstemmed |
Insight into the mechanism of NO reduction in heterogenous catalysis |
title_sort |
insight into the mechanism of no reduction in heterogenous catalysis |
publisher |
Queen's University Belfast |
publishDate |
2016 |
url |
http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.706459 |
work_keys_str_mv |
AT duyuwei insightintothemechanismofnoreductioninheterogenouscatalysis |
_version_ |
1718506528712949760 |