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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Bibliographic Details
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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