| Full text | |
| Author(s): |
da Silva, Debora A. C.
[1]
;
Paulista Neto, Antenor J.
[1]
;
Pascon, Aline M.
[1]
;
Fileti, Eudes E.
[2]
;
Fonseca, Leonardo R. C.
[3]
;
Zanin, Hudson G.
[1]
Total Authors: 6
|
| Affiliation: | [1] Univ Estadual Campinas, Ctr Innovat New Energies, Sch Elect & Comp Engn, Carbon Sci Tech Labs, Adv Energy Storage Div, BR-13083852 Campinas, SP - Brazil
[2] Univ Fed Sao Paulo, Inst Sci & Technol, BR-12247014 Sao Jose Dos Campos, SP - Brazil
[3] Univ Fed Minas Gerais, Dept Phys, BR-31270901 Belo Horizonte, MG - Brazil
Total Affiliations: 3
|
| Document type: | Journal article |
| Source: | Journal of Physical Chemistry C; v. 125, n. 10, p. 5518-5524, MAR 18 2021. |
| Web of Science Citations: | 0 |
| Abstract | |
We report on DFT and MD simulations to investigate the contributions of quantum and double-layer capacitances in the total differential capacitance of functionalized graphene as the electrode material of aqueous-based supercapacitors. We consider the effects of nitrogen and oxygen incorporation in graphene quantum and double capacitance in four different supercapacitor models in the presence of aqueous electrolytes LiSO4 and LiTFSI. We found that the total differential capacitance is limited by the double-layer capacitance. Our best electrode/electrolyte model was obtained with a symmetric supercapacitor assembled with epoxy/hydroxyl-functionalized graphene electrodes filled with 1 M LiSO4 electrolyte. It achieved a higher double-layer capacitance among all investigated systems over the entire potential window, thus offering better performance in energy storage. (AU) | |
| FAPESP's process: | 17/11958-1 - CINE - Advanced Energy Storage Division |
| Grantee: | Rubens Maciel Filho |
| Support Opportunities: | Research Grants - Research Centers in Engineering Program |
| FAPESP's process: | 17/11631-2 - CINE: computational materials design based on atomistic simulations, meso-scale, multi-physics, and artificial intelligence for energy applications |
| Grantee: | Juarez Lopes Ferreira da Silva |
| Support Opportunities: | Research Grants - Research Centers in Engineering Program |