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...

Full description

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