Review of DFT-simulated and experimental electrochemistry properties of the polypyridyl Row-1 Mn, Fe & Co, and Group-8 Fe, Ru and Os MLCT complexes

Simple item page
dc.contributor.authorVon Eschwege, Karel G.
dc.contributor.authorConradie, Jeanet
dc.date.accessioned2022-02-03T10:06:39Z
dc.date.available2022-02-03T10:06:39Z
dc.date.issued2022
dc.description.abstractRuthenium had up to date been pivotal in electro- and photocatalytic applications involving reduction of CO2 and H2O, and dye-sensitized solar cells. Commercial applications would seek use of earth-abundant metals instead. Towards this goal, it is key to review the synthesis, electrochemical and spectroscopical properties of associated metal-to-ligand charge transfer complexes of row-4 (Mn, Fe & Co) and column-8 (Fe, Ru & Os). The present report is limited to data obtained under exactly similar conditions, providing scientifically valid correlations. Only tris-coordinated bipyridyl and phenanthroline complex derivatives are considered, being representative of catalysts and dyes traditionally used in the above-mentioned fields. The accuracy of theoretical DFT techniques to simulate complex properties is highlighted.en_ZA
dc.description.versionPublisher's versionen_ZA
dc.identifierhttps://doi.org/10.1016/j.elecom.2022.107225
dc.identifier.citationVon Eschwege, K.G., & Conradie, J. (2022). Review of DFT-simulated and experimental electrochemistry properties of the polypyridyl Row-1 Mn, Fe & Co, and Group-8 Fe, Ru and Os MLCT complexes. Electrochemistry Communications, 136, 107225. https://doi.org/10.1016/j.elecom.2022.107225en_ZA
dc.identifier.issn1388-2481
dc.identifier.urihttp://hdl.handle.net/11660/11395
dc.language.isoenen_ZA
dc.publisherElsevieren_ZA
dc.rights.holderAuthor(s)en_ZA
dc.rights.licenseThis is an open access article under the CC BY-NC-ND license
dc.subjectDFTen_ZA
dc.subjectPhotocatalysten_ZA
dc.subjectMLCTen_ZA
dc.subjectCyclic voltammetryen_ZA
dc.subjectSpectrumen_ZA
dc.titleReview of DFT-simulated and experimental electrochemistry properties of the polypyridyl Row-1 Mn, Fe & Co, and Group-8 Fe, Ru and Os MLCT complexesen_ZA
dc.typeArticleen_ZA
Files
Original bundle
Now showing 1 - 1 of 1
Thumbnail Image
Name:
VonEschwege_Review_2022.pdf
Size:
2.92 MB
Format:
Adobe Portable Document Format
Description:
Download
License bundle
Now showing 1 - 1 of 1
No Thumbnail Available
Name:
license.txt
Size:
1.76 KB
Format:
Item-specific license agreed upon to submission
Description:
Download
Collections
Research Articles (Chemistry)