DC Field | Value | Language |
---|---|---|
dc.contributor.author | Jeon, Mingyu | ko |
dc.contributor.author | Kwon, Ohmin | ko |
dc.contributor.author | Kim, Jihan | ko |
dc.date.accessioned | 2023-10-17T03:01:21Z | - |
dc.date.available | 2023-10-17T03:01:21Z | - |
dc.date.created | 2023-10-16 | - |
dc.date.issued | 2023-09 | - |
dc.identifier.citation | JOURNAL OF PHYSICAL CHEMISTRY C, v.127, no.36, pp.18089 - 18098 | - |
dc.identifier.issn | 1932-7447 | - |
dc.identifier.uri | http://hdl.handle.net/10203/313417 | - |
dc.description.abstract | Rational design of multiple material components to create composite materials for synergistic enhancement is a crucial strategy in materials science. The combination of two-dimensional (2D) and three-dimensional (3D) metal-organic frameworks (MOFs) has great potential for creating multi-dimensional and multi-functional composites, expanding the material space for various applications. In this study, we developed a novel screening algorithm to construct 2D-MOF@3D-MOF composite structures using the intrinsic geometrical information of each MOF. Our algorithm was designed to prioritize synthesizability and identified several pairs of 2D-MOFs and 3D-MOFs. The screening results revealed that Ni-HHTP@UiO-66, a previously synthesized composite material, was among the potential candidates. Furthermore, the 2D-MOF@3D-MOF composite candidate that passed our algorithm exhibited superior mechanical strength compared to the mismatched composite. Our research advances the field of MOF by providing a practical screening algorithm for identifying suitable 2D-MOF@3D-MOF composite candidates and paves the way for the discovery of new materials with enhanced properties. | - |
dc.language | English | - |
dc.publisher | AMER CHEMICAL SOC | - |
dc.title | Computational Discovery for Crafting Multi-Dimensional and Multi-Functional Metal-Organic Framework Composites | - |
dc.type | Article | - |
dc.identifier.wosid | 001067165000001 | - |
dc.identifier.scopusid | 2-s2.0-85171747299 | - |
dc.type.rims | ART | - |
dc.citation.volume | 127 | - |
dc.citation.issue | 36 | - |
dc.citation.beginningpage | 18089 | - |
dc.citation.endingpage | 18098 | - |
dc.citation.publicationname | JOURNAL OF PHYSICAL CHEMISTRY C | - |
dc.identifier.doi | 10.1021/acs.jpcc.3c03814 | - |
dc.contributor.localauthor | Kim, Jihan | - |
dc.contributor.nonIdAuthor | Kwon, Ohmin | - |
dc.description.isOpenAccess | N | - |
dc.type.journalArticle | Article | - |
dc.subject.keywordPlus | COORDINATION POLYMERS | - |
dc.subject.keywordPlus | HYDROGEN SORPTION | - |
dc.subject.keywordPlus | MOF ARCHITECTURES | - |
dc.subject.keywordPlus | DRUG-DELIVERY | - |
dc.subject.keywordPlus | MEMBRANES | - |
dc.subject.keywordPlus | CORE | - |
dc.subject.keywordPlus | NANOPARTICLES | - |
dc.subject.keywordPlus | ADSORPTION | - |
dc.subject.keywordPlus | INTERPENETRATION | - |
dc.subject.keywordPlus | FUNCTIONALITY | - |
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