Article ; Online: On the Diffusion of Ionic Liquids in ILs@ZIF-8 Composite Materials: A Density Functional Theory Study.
Molecules (Basel, Switzerland)
2024 Volume 29, Issue 8
Abstract: Recently, composite materials consisting of ionic liquids (ILs) and metal-organic frameworks (MOFs) have attracted a great deal of attention due to their fantastic properties. Many theoretical studies have been performed on their special structures and ... ...
Abstract | Recently, composite materials consisting of ionic liquids (ILs) and metal-organic frameworks (MOFs) have attracted a great deal of attention due to their fantastic properties. Many theoretical studies have been performed on their special structures and gas separation applications. Yet, the mechanism for the diffusion of ILs inside MOF channels still remains unclear. Here, the DFT calculations (e.g., rigid and relaxed potential energy surface, PES, scan) together with frontier orbital analysis, natural charge analysis, and energy decomposition analysis were performed to investigate the diffusion behavior of a typical IL, [C |
---|---|
Language | English |
Publishing date | 2024-04-09 |
Publishing country | Switzerland |
Document type | Journal Article |
ZDB-ID | 1413402-0 |
ISSN | 1420-3049 ; 1431-5165 ; 1420-3049 |
ISSN (online) | 1420-3049 |
ISSN | 1431-5165 ; 1420-3049 |
DOI | 10.3390/molecules29081697 |
Database | MEDical Literature Analysis and Retrieval System OnLINE |
More links
Kategorien
In stock of ZB MED Cologne/Königswinter
Zs.MO 81: Show issues |
Order via subito
This service is chargeable due to the Delivery terms set by subito. Orders including an article and supplementary material will be classified as separate orders. In these cases, fees will be demanded for each order.