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Molecular-Level Insight into Selective Catalytic Reduction of NOx with NH3 to N-2 over a Highly Efficient Bifunctional V-alpha-MnOx Catalyst at Low Temperature

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dc.contributor.authorXin, Ying
dc.contributor.authorLi, Hao
dc.contributor.authorZhang, Nana
dc.contributor.authorLi, Qian
dc.contributor.authorZhang, Zhaoliang
dc.contributor.authorCao, Xiaoming
dc.contributor.authorHu, P.
dc.contributor.authorZheng, Lirong
dc.contributor.authorAnderson, James A.
dc.contributor.institutionUniversity of Aberdeen.Engineeringen
dc.contributor.institutionUniversity of Aberdeen.Environment and Food Securityen
dc.contributor.institutionUniversity of Aberdeen.Centre for Energy Transitionen
dc.date.accessioned2019-04-22T23:04:03Z
dc.date.available2019-04-22T23:04:03Z
dc.date.embargoedUntil2019-04-23
dc.date.issued2018-06
dc.descriptionThis work was supported by the National Natural Science Foundation of China (Nos. 21477046, 21333003, and 21673072) and Key Technology R&D Program of Shandong Province (No. 2016ZDJS11A03). The authors also acknowledge computing time support from the Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund (the second phase) under Grant No. U1501501.en
dc.description.statusPeer revieweden
dc.format.extent25
dc.format.extent1189893
dc.identifier125682215
dc.identifier78ea1f24-5765-4675-a5b4-22e8185b315d
dc.identifier000434369600020
dc.identifier85046493408
dc.identifier.citationXin, Y, Li, H, Zhang, N, Li, Q, Zhang, Z, Cao, X, Hu, P, Zheng, L & Anderson, J A 2018, 'Molecular-Level Insight into Selective Catalytic Reduction of NOx with NH3 to N-2 over a Highly Efficient Bifunctional V-alpha-MnOx Catalyst at Low Temperature', ACS Catalysis, vol. 8, no. 6, pp. 4937-4949. https://doi.org/10.1021/acscatal.8b00196en
dc.identifier.doi10.1021/acscatal.8b00196
dc.identifier.iss6en
dc.identifier.issn2155-5435
dc.identifier.urihttp://hdl.handle.net/2164/12202
dc.identifier.vol8en
dc.language.isoeng
dc.relation.ispartofACS Catalysisen
dc.subjectSDG 3 - Good Health and Well-beingen
dc.subjectnitrogen oxidesen
dc.subjectselective catalytic reductionen
dc.subjectbifunctional catalysten
dc.subjectdensity functional theoryen
dc.subjectmechanismen
dc.subjectMANGANESE OXIDE CATALYSTSen
dc.subjectTOTAL-ENERGY CALCULATIONSen
dc.subjectTI AMORPHOUS OXIDESen
dc.subjectWAVE BASIS-SETen
dc.subjectACTIVE-SITESen
dc.subjectHYBRID CATALYSTSen
dc.subjectNITRIC-OXIDEen
dc.subjectMNOX-CEO2 CATALYSTen
dc.subjectREACTION-MECHANISMen
dc.subjectSUPERIOR CATALYSTen
dc.subjectQD Chemistryen
dc.subject.lccQDen
dc.titleMolecular-Level Insight into Selective Catalytic Reduction of NOx with NH3 to N-2 over a Highly Efficient Bifunctional V-alpha-MnOx Catalyst at Low Temperatureen
dc.typeJournal articleen

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