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Moon, Hoi Ri
Functional Inorganic Nanomaterials for Energy Lab (FINE)
Research Interests
  • Inorganic-organic hybrid materials, carbon capture materials, hydrogen storage materials, heterogeneous catalyst

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Computer-aided discovery of connected metal-organic frameworks

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dc.contributor.author Kwon, Ohmin ko
dc.contributor.author Kim, Jin Yeong ko
dc.contributor.author Park, Sungbin ko
dc.contributor.author Lee, Jae Hwa ko
dc.contributor.author Ha, Junsu ko
dc.contributor.author Park, Hyunsoo ko
dc.contributor.author Moon, Hoi Ri ko
dc.contributor.author Kim, Jihan ko
dc.date.available 2019-09-16T08:05:02Z -
dc.date.created 2019-08-23 ko
dc.date.issued 2019-08 ko
dc.identifier.citation NATURE COMMUNICATIONS, v.10, pp.3620 ko
dc.identifier.issn 2041-1723 ko
dc.identifier.uri https://scholarworks.unist.ac.kr/handle/201301/27373 -
dc.description.abstract Composite metal-organic frameworks (MOFs) tend to possess complex interfaces that prevent facile and rational design. Here we present a joint computational/experimental workflow that screens thousands of MOFs and identifies the optimal MOF pairs that can seamlessly connect to one another by taking advantage of the fact that the metal nodes of one MOF can form coordination bonds with the linkers of the second MOF. Six MOF pairs (HKUST-1@MOF-5, HKUST-1@IRMOF-18, UiO-67@HKUST-1, PCN-68@MOF-5, UiO-66@MIL-88B(Fe) and UiO-67@MIL-88C(Fe)) yielded from our theoretical predictions were successfully synthesized, leading to clean single crystalline MOF@MOF, demonstrating the power of our joint workflow. Our work can serve as a starting point to accelerate the discovery of novel MOF composites that can potentially be used for many different applications. ko
dc.language 영어 ko
dc.publisher NATURE PUBLISHING GROUP ko
dc.title Computer-aided discovery of connected metal-organic frameworks ko
dc.type ARTICLE ko
dc.identifier.scopusid 2-s2.0-85070624823 ko
dc.identifier.wosid 000480234800001 ko
dc.type.rims ART ko
dc.identifier.doi 10.1038/s41467-019-11629-4 ko
dc.identifier.url https://www.nature.com/articles/s41467-019-11629-4 ko
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