Dynamic acidity in defective UiO-66

Ling, Sanliang; Slater, Ben

Abstract

© The Royal Society of Chemistry 2016. The metal-organic framework (MOF) material UiO-66 has emerged as one of the most promising MOF materials due to its thermal and chemical stability and its potential for catalytic applications. Typically, as-synthesised UiO-66 has a relatively high concentration of missing linker defects. The presence of these defects has been correlated with catalytic activity but characterisation of defect structure has proved elusive. We refine a recent experimental determination of defect structure using static and dynamic first principles approaches, which reveals a dynamic and labile acid centre that could be tailored for functional applications in catalysis.

Citation

Ling, S., & Slater, B. (2016). Dynamic acidity in defective UiO-66. Chemical Science, 7(7), 4706-4712. https://doi.org/10.1039/c5sc04953a

• Journal Article Type: Article
• Acceptance Date: Mar 22, 2016
• Online Publication Date: Mar 22, 2016
• Publication Date: Jul 1, 2016
• Deposit Date: Nov 20, 2018
• Publicly Available Date: Jan 21, 2019
• Journal: Chemical Science
• Print ISSN: 2041-6520
• Electronic ISSN: 2041-6539
• Publisher: Royal Society of Chemistry
• Peer Reviewed: Peer Reviewed
• Volume: 7
• Issue: 7
• Pages: 4706-4712
• DOI: https://doi.org/10.1039/c5sc04953a
• Public URL: https://nottingham-repository.worktribe.com/output/1287934
• Publisher URL: https://pubs.rsc.org/en/Content/ArticleLanding/2016/SC/C5SC04953A#!divAbstract
• Additional Information: : This document is Similarity Check deposited; : Supplementary Information; : Sanliang Ling (ORCID); : The Royal Society of Chemistry has an exclusive publication licence for this journal; OPEN ACCESS: This article is freely available. This article is licensed under a Creative Commons Attribution 3.0 Unported Licence (CC BY 3.0); : Single-blind; : Received 23 December 2015; Accepted 22 March 2016; Accepted Manuscript published 22 March 2016; Advance Article published 20 April 2016; Version of Record published 21 June 2016