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dc.contributor.authorTu, Wenguangen_US
dc.contributor.authorXu, Youen_US
dc.contributor.authorYin, Shengmingen_US
dc.contributor.authorXu, Rongen_US
dc.identifier.citationTu, W., Xu, Y., Yin, S., & Xu, R. (2018). Rational design of catalytic centers in crystalline frameworks. Advanced Materials, 30(33), 1707582-. doi:10.1002/adma.201707582en_US
dc.description.abstractCrystalline frameworks including primarily metal organic frameworks (MOF) and covalent organic frameworks (COF) have received much attention in the field of heterogeneous catalysts recently. Beyond providing large surface area and spatial confinement, these crystalline frameworks can be designed to either directly act as or influence the catalytic sites at molecular level. This approach offers a unique advantage to gain deeper insights of structure-activity correlations in solid materials, leading to new guiding principles for rational design of advanced solid catalysts for potential important applications related to energy and fine chemical synthesis. In this review, recent key progress achieved in designing MOF- and COF-based molecular solid catalysts and the mechanistic understanding of the catalytic centers and associated reaction pathways are summarized. The state-of-the-art rational design of MOF- and COF-based solid catalysts in this review is grouped into seven different areas: (i) metalated linkers, (ii) metalated moieties anchored on linkers, (iii) organic moieties anchored on linkers, (iv) encapsulated single sites in pores, and (v) metal-mode-based active sites in MOFs. Along with this, some attention is paid to theoretical studies about the reaction mechanisms. Finally, technical challenges and possible solutions in applying these catalysts for practical applications are also presented.en_US
dc.description.sponsorshipMOE (Min. of Education, S’pore)en_US
dc.relation.ispartofAdvanced Materialsen_US
dc.rights© 2018 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. All rights reserved. This paper was published in Advanced Materials and is made available with permission of WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.en_US
dc.subjectEngineering::Chemical engineeringen_US
dc.titleRational design of catalytic centers in crystalline frameworksen_US
dc.typeJournal Articleen
dc.contributor.schoolSchool of Chemical and Biomedical Engineeringen_US
dc.subject.keywordsCovalent Organic Frameworksen_US
dc.subject.keywordsMetal Organic Frameworksen_US
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