EventsThe 26th International Electronic Conference on Synthetic Organic Chemistry
Event submissions
Published
with-doi10.3390/ecsoc-26-13554
This submission belongs to the session S5. Computational Chemistry of the event The 26th International Electronic Conference on Synthetic Organic Chemistry
Published date
14 Nov, 2022
Academic Editor
author-avatarJulio A. Seijas
Citation
Julio A. Seijas, M. Pilar Vázquez-Tato, Fracisco Fraga, Francisco Meijide, José Vázquez Tato, Pyrene-4,5,9,10-tetrachalcogenone derivatives: a computational study of their potential use as materials for batteries, in Proceedings of The 26th International Electronic Conference on Synthetic Organic Chemistry, 15 November–30 November 2022, MDPI: Basel, Switzerland, doi: 10.3390/ecsoc-26-13554
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Pyrene-4,5,9,10-tetrachalcogenone derivatives: a computational study of their potential use as materials for batteries

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M. Pilar Vázquez-Tato 1
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Fracisco Fraga 2
Francisco Meijide 3
José Vázquez Tato 3
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Julio A. Seijas 1
1. Departamento de Química Orgánica. Facultade de Ciencias. Universidade de Santiago de Compostela. Campus Terra. 27080-Lugo. Spain
2. Departamento de Física Aplicada, Facultade de Ciencias, Universidade de Santiago de Compostela, Campus Terra. 27002 Lugo, Spain;
3. Departamento de Química Física. Facultade de Ciencias. Universidade de Santiago de Compostela. Campus Terra. 27080-Lugo. Spain
Abstract
Keywords
Pyrene-4,5,9,10-tetrachalcogenones
battery
organic electrode
DFT
reduction potential
sulfur
selenium
tellurium
cathode