There are no files associated with this item.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.citation.number | 15 | - |
dc.citation.startPage | 2300036 | - |
dc.citation.title | SMALL | - |
dc.citation.volume | 19 | - |
dc.contributor.author | Lee, Soochan | - |
dc.contributor.author | Nam, Dongsik | - |
dc.contributor.author | Yang, David ChangMo | - |
dc.contributor.author | Choe, Wonyoung | - |
dc.date.accessioned | 2023-12-21T12:43:45Z | - |
dc.date.available | 2023-12-21T12:43:45Z | - |
dc.date.created | 2023-03-08 | - |
dc.date.issued | 2023-04 | - |
dc.description.abstract | Herein, synthesizable candidate topologies to form zeolitic imidazolate frameworks (ZIFs) are efficiently identified from over 2 000 000 hypothetical structures in zeolite databases, using structural descriptors extracted from known ZIFs. A combination of intuition-based structural descriptors, such as ring patterns, node numbers, and TOT bridging angles (T = tetrahedral metal nodes in zeolites and ZIFs), is used as data filters to eliminate topologies infeasible for ZIF formation. Carefully chosen structural descriptors facilitate the prediction of plausible ZIF topologies. To investigate potential applications as porous ZIFs, this work performs hydrogen adsorption screening and suggested notable target ZIFs. The collection of new plausible ZIFs, derived from the combined descriptors, will be a structural blueprint for synthetic chemists. | - |
dc.identifier.bibliographicCitation | SMALL, v.19, no.15, pp.2300036 | - |
dc.identifier.doi | 10.1002/smll.202300036 | - |
dc.identifier.issn | 1613-6810 | - |
dc.identifier.scopusid | 2-s2.0-85147568111 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/62259 | - |
dc.identifier.wosid | 000931748000001 | - |
dc.language | 영어 | - |
dc.publisher | Wiley - V C H Verlag GmbbH & Co. | - |
dc.title | Unveiling Hidden Zeolitic Imidazolate Frameworks Guided by Intuition‐Based Geometrical Factors | - |
dc.type | Article | - |
dc.description.isOpenAccess | TRUE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Multidisciplinary;Chemistry, Physical;Nanoscience & Nanotechnology;Materials Science, Multidisciplinary;Physics, Applied;Physics, Condensed Matter | - |
dc.relation.journalResearchArea | Chemistry;Science & Technology - Other Topics;Materials Science;Physics | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | adsorption | - |
dc.subject.keywordAuthor | hydrogen | - |
dc.subject.keywordAuthor | metal–organic frameworks | - |
dc.subject.keywordAuthor | zeolite analogues | - |
dc.subject.keywordAuthor | zeolites | - |
dc.subject.keywordPlus | METAL-ORGANIC FRAMEWORKS | - |
dc.subject.keywordPlus | NANOPOROUS MATERIALS | - |
dc.subject.keywordPlus | INVERSE DESIGN | - |
dc.subject.keywordPlus | PORE OPENINGS | - |
dc.subject.keywordPlus | DISCOVERY | - |
dc.subject.keywordPlus | EFFICIENT | - |
dc.subject.keywordPlus | DELIVERY | - |
dc.subject.keywordPlus | ZIF-8 | - |
dc.subject.keywordPlus | ALGORITHMS | - |
dc.subject.keywordPlus | MACHINE | - |
Items in Repository are protected by copyright, with all rights reserved, unless otherwise indicated.
Tel : 052-217-1404 / Email : scholarworks@unist.ac.kr
Copyright (c) 2023 by UNIST LIBRARY. All rights reserved.
ScholarWorks@UNIST was established as an OAK Project for the National Library of Korea.