There are no files associated with this item.
Full metadata record
DC Field | Value | Language |
---|---|---|
dc.citation.startPage | 119576 | - |
dc.citation.title | APPLIED CATALYSIS B-ENVIRONMENTAL | - |
dc.citation.volume | 282 | - |
dc.contributor.author | Lee, Jihyeon | - |
dc.contributor.author | Seo, Ji Hui | - |
dc.contributor.author | Nguyen-Huy, Chinh | - |
dc.contributor.author | Yang, Euiseob | - |
dc.contributor.author | Lee, Jun Gyeong | - |
dc.contributor.author | Lee, Hojeong | - |
dc.contributor.author | Jang, Eun Jeong | - |
dc.contributor.author | Kwak, Ja Hun | - |
dc.contributor.author | Lee, Jun Hee | - |
dc.contributor.author | Lee, Hosik | - |
dc.contributor.author | An, Kwangjin | - |
dc.date.accessioned | 2023-12-21T16:12:09Z | - |
dc.date.available | 2023-12-21T16:12:09Z | - |
dc.date.created | 2020-11-30 | - |
dc.date.issued | 2021-03 | - |
dc.description.abstract | In order to investigate the major active site of Cu-based catalysts in furfural (FAL) hydrogenation, theoretical calculations were combined with empirical analyses. The adsorption of FAL and H-2 on the Cu(111), CuO(100), and Cu2O(100) surfaces was compared based on density functional theory (DFT) calculations. The migration barrier of the dissociatively adsorbed H atoms on different surfaces was also calculated. It is demonstrated that the Cu2O(100) surface has the largest FAL adsorption energy of 1.63 eV and an appropriate Cu-Cu distance for adsorption and preferential dissociation of the H-2 molecule. To correlate the DFT results with catalytic ex-periments, mesoporous copper oxides (m-CuO) were prepared under controlled reduction conditions. The overall activity of the m-CuO catalysts is determined by the concentration of exposed Cu+. The combined results from DFT calculations and experiments show that Cu2O is a major active species promoting the high activity of FAL hydrogenation. | - |
dc.identifier.bibliographicCitation | APPLIED CATALYSIS B-ENVIRONMENTAL, v.282, pp.119576 | - |
dc.identifier.doi | 10.1016/j.apcatb.2020.119576 | - |
dc.identifier.issn | 0926-3373 | - |
dc.identifier.scopusid | 2-s2.0-85091891322 | - |
dc.identifier.uri | https://scholarworks.unist.ac.kr/handle/201301/48875 | - |
dc.identifier.url | https://www.sciencedirect.com/science/article/pii/S0926337320309917?via%3Dihub | - |
dc.identifier.wosid | 000591691300001 | - |
dc.language | 영어 | - |
dc.publisher | ELSEVIER | - |
dc.title | Cu2O(100) surface as an active site for catalytic furfural hydrogenation | - |
dc.type | Article | - |
dc.description.isOpenAccess | FALSE | - |
dc.relation.journalWebOfScienceCategory | Chemistry, Physical; Engineering, Environmental; Engineering, Chemical | - |
dc.relation.journalResearchArea | Chemistry; Engineering | - |
dc.type.docType | Article | - |
dc.description.journalRegisteredClass | scie | - |
dc.description.journalRegisteredClass | scopus | - |
dc.subject.keywordAuthor | Mesoporous copper(II) oxide | - |
dc.subject.keywordAuthor | Furfural | - |
dc.subject.keywordAuthor | Hydrogenation | - |
dc.subject.keywordAuthor | Active site | - |
dc.subject.keywordAuthor | Cu2O(100) | - |
dc.subject.keywordPlus | PHASE HYDROGENATION | - |
dc.subject.keywordPlus | CU CATALYSTS | - |
dc.subject.keywordPlus | COPPER | - |
dc.subject.keywordPlus | CONVERSION | - |
dc.subject.keywordPlus | ALCOHOL | - |
dc.subject.keywordPlus | ADSORPTION | - |
dc.subject.keywordPlus | REDUCTION | - |
dc.subject.keywordPlus | CHEMICALS | - |
dc.subject.keywordPlus | SILICA | - |
dc.subject.keywordPlus | DISPERSION | - |
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.