Installing a molecular truss beam stabilizes MOF structures

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dc.contributor.authorKim, Hong Kiko
dc.contributor.authorJung, Jong-Yeongko
dc.contributor.authorKang, Gyuminko
dc.contributor.authorBaik, Mu-Hyunko
dc.contributor.authorChoi, Eun-Youngko
dc.date.accessioned2022-06-06T03:00:58Z-
dc.date.available2022-06-06T03:00:58Z-
dc.date.created2022-06-06-
dc.date.created2022-06-06-
dc.date.created2022-06-06-
dc.date.created2022-06-06-
dc.date.issued2022-05-
dc.identifier.citationNPJ COMPUTATIONAL MATERIALS, v.8, no.1-
dc.identifier.issn2057-3960-
dc.identifier.urihttp://hdl.handle.net/10203/296808-
dc.description.abstractEnhancing the stability and durability of metal-organic frameworks (MOFs) is vital for practical applications because many promising MOF materials suffer from phase transitions and/or structural decompositions with humidity being a particularly damaging condition. In mechanical engineering, the frame of buildings and furniture can be stabilized significantly by installing a truss beam. Employing the same principle, we functionalized the organic component of MOF-5 to contain a carbazole moiety that can act as a molecular truss beam by reaching across the corner and forming a stable pi-pi interaction with a phenyl group on the edge position of the MOF-skeleton. This structural support enhanced the stability of the MOF substantially, allowing the designed MOF to maintain compositional integrity under steam conditions at 90 degrees C for similar to 5 days. The unmodified MOF-5 shows clear signs of structural collapse after similar to 1 h.-
dc.languageEnglish-
dc.publisherNATURE PORTFOLIO-
dc.titleInstalling a molecular truss beam stabilizes MOF structures-
dc.typeArticle-
dc.identifier.wosid000799812600001-
dc.identifier.scopusid2-s2.0-85130734684-
dc.type.rimsART-
dc.citation.volume8-
dc.citation.issue1-
dc.citation.publicationnameNPJ COMPUTATIONAL MATERIALS-
dc.identifier.doi10.1038/s41524-022-00799-3-
dc.contributor.localauthorBaik, Mu-Hyun-
dc.contributor.nonIdAuthorKim, Hong Ki-
dc.contributor.nonIdAuthorChoi, Eun-Young-
dc.description.isOpenAccessN-
dc.type.journalArticleArticle-
dc.subject.keywordPlusMETAL-ORGANIC FRAMEWORKS-
dc.subject.keywordPlusEFFECTIVE CORE POTENTIALS-
dc.subject.keywordPlusPOROUS COORDINATION POLYMERS-
dc.subject.keywordPlusCARBON-DIOXIDE-
dc.subject.keywordPlusHYDROGEN STORAGE-
dc.subject.keywordPlusWATER STABILITY-
dc.subject.keywordPlusBASIS-SETS-
dc.subject.keywordPlusADSORPTION-
dc.subject.keywordPlusRESISTANT-
dc.subject.keywordPlusSELECTIVITY-
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