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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Main Author: Du, Yuwei
Published: Queen's University Belfast 2016
Subjects:
547
Online Access:http://ethos.bl.uk/OrderDetails.do?uin=uk.bl.ethos.706459
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spelling 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
collection NDLTD
sources NDLTD
topic 547
spellingShingle 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
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