DC Field | Value | Language |
---|---|---|
dc.contributor.author | Kwon, Ohmin | ko |
dc.contributor.author | Park, Sanghoon | ko |
dc.contributor.author | Zhou, Hong-Cai | ko |
dc.contributor.author | Kim, Jihan | ko |
dc.date.accessioned | 2017-12-19T01:17:10Z | - |
dc.date.available | 2017-12-19T01:17:10Z | - |
dc.date.created | 2017-04-04 | - |
dc.date.created | 2017-04-04 | - |
dc.date.created | 2017-04-04 | - |
dc.date.issued | 2017-01 | - |
dc.identifier.citation | CHEMICAL COMMUNICATIONS, v.53, no.12, pp.1953 - 1956 | - |
dc.identifier.issn | 1359-7345 | - |
dc.identifier.uri | http://hdl.handle.net/10203/228499 | - |
dc.description.abstract | We present a computational algorithm that can screen through a database of metal-organic framework structures and identify materials that lead to hetero-interpenetration with targeted porous materials. Two MOFs (IRMOF-1 and IRMOF-8) were selected as target materials and our algorithm identified PCN-68 and PCN-610 as matching candidates for interpenetration. Molecular simulation results indicate that the interpenetrated MOFs possess enhanced methane and hydrogen adsorption properties compared to the parent materials. | - |
dc.language | English | - |
dc.publisher | ROYAL SOC CHEMISTRY | - |
dc.title | Computational prediction of hetero-interpenetration in metal-organic frameworks | - |
dc.type | Article | - |
dc.identifier.wosid | 000395624400005 | - |
dc.identifier.scopusid | 2-s2.0-85011928634 | - |
dc.type.rims | ART | - |
dc.citation.volume | 53 | - |
dc.citation.issue | 12 | - |
dc.citation.beginningpage | 1953 | - |
dc.citation.endingpage | 1956 | - |
dc.citation.publicationname | CHEMICAL COMMUNICATIONS | - |
dc.identifier.doi | 10.1039/c6cc08940b | - |
dc.contributor.localauthor | Kim, Jihan | - |
dc.contributor.nonIdAuthor | Park, Sanghoon | - |
dc.contributor.nonIdAuthor | Zhou, Hong-Cai | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | HYDROGEN STORAGE | - |
dc.subject.keywordPlus | H-2 ADSORPTION | - |
dc.subject.keywordPlus | SIMULATIONS | - |
dc.subject.keywordPlus | CAPACITIES | - |
dc.subject.keywordPlus | CAPTURE | - |
dc.subject.keywordPlus | SURFACE | - |
dc.subject.keywordPlus | DESIGN | - |
dc.subject.keywordPlus | MOFS | - |
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