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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


Computer-aided discovery of connected metal-organic frameworks

DC Field Value Language Kwon, Ohmin ko Kim, Jin Yeong ko Park, Sungbin ko Lee, Jae Hwa ko Ha, Junsu ko Park, Hyunsoo ko Moon, Hoi Ri ko Kim, Jihan ko 2019-09-16T08:05:02Z - 2019-08-23 ko 2019-08 ko
dc.identifier.citation NATURE COMMUNICATIONS, v.10, pp.3620 ko
dc.identifier.issn 2041-1723 ko
dc.identifier.uri -
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.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 ko
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