A Quantum Chemical Study of the Electrochemical Properties of a Series of Methanofullerenes

Quantum chemical methods have been used to find the energies of highest occupied (HOMO) and lowest unoccupied molecular orbitals (LUMO). The band gap and electron affinity were measured for a series of compounds proposed for use as acceptor elements in organic solar cells.

Gespeichert in:

Bibliographische Detailangaben
Veröffentlicht in:	Chemistry and technology of fuels and oils 2023-11, Vol.59 (5), p.963-966
Hauptverfasser:	Sattarova, A. F., Biglova, Yu. N., Mustafin, I. A., Mustafin, A. G.
Format:	Artikel
Sprache:	eng
Schlagworte:	Chemical properties Chemistry Chemistry and Materials Science Electrochemical analysis electrochemistry Electron affinity electrons energy fuel oils Geotechnical Engineering & Applied Earth Sciences Industrial Chemistry/Chemical Engineering Mineral Resources Molecular orbitals Photovoltaic cells Quantum chemistry quantum mechanics Solar cells Solar energy
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!

Beschreibung
Zusammenfassung:	Quantum chemical methods have been used to find the energies of highest occupied (HOMO) and lowest unoccupied molecular orbitals (LUMO). The band gap and electron affinity were measured for a series of compounds proposed for use as acceptor elements in organic solar cells.
ISSN:	0009-3092 1573-8310
DOI:	10.1007/s10553-023-01605-6