Mass production of metal-doped graphene from the agriculture waste of Quercus ilex leaves for supercapacitors: inclusive DFT study
| Autor: | Suman Mahendia, Boddepalli SanthiBhushan, Mayank Pathak, Manoj Karakoti, Ritu Jangra, Gaurav Tatrari, Nanda Gopal Sahoo, Chetna Tewari |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Supercapacitor
Horizontal scan rate Materials science Graphene General Chemical Engineering Doping Analytical chemistry 02 engineering and technology General Chemistry Electrolyte 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences 0104 chemical sciences law.invention symbols.namesake Chemisorption law symbols 0210 nano-technology Spectroscopy Raman spectroscopy |
| Zdroj: | RSC Advances. 11:10891-10901 |
| ISSN: | 2046-2069 |
| DOI: | 10.1039/d0ra09393a |
| Popis: | This work reports a facile, eco-friendly, and cost-effective mass-scale synthesis of metal-doped graphene sheets (MDGs) using agriculture waste of Quercus ilex leaves for supercapacitor applications. A single step-degradation catalyst-based pyrolysis route was used for the manufacture of MDGs. Obtained MDGs were further evaluated via advanced spectroscopy and microscopic techniques including Raman spectroscopy, FT-IR, XRD, SEM/EDX, and TEM imaging. The Raman spectrum showed D and G bands at 1300 cm−1 and 1590 cm−1, respectively, followed by a 2D band at 2770 cm−1, which confirmed the synthesis of few-layered MDGs. The SEM/EDX data confirmed the presence of 6.15%, 3.17%, and 2.36% of potassium, calcium and magnesium in the obtained MDGs, respectively. Additionally, the FT-IR, XRD, TEM, and SEM data including the plot profile diagrams confirmed the synthesis of MDGs. Further, a computational study was performed for the structural validation of MDGs using Gaussian 09. The density functional theory (DFT) results showed a chemisorption/decoration pattern of doping for metal ions on the few-layered graphene nanosheets, rather than a substitutional pattern. Further, resulting MDGs were used as an active material for the fabrication of a supercapacitor electrode using the polymer gel of PVA–H3PO4 as the electrolyte. The fabricated device showed a decent specific capacitance of 18.2 F g−1 at a scan rate of 5 mV s−1 with a power density of 1000 W kg−1 at 5 A g−1. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
|