1. Mass production of metal-doped graphene from the agriculture waste of Quercus ilex leaves for supercapacitors: inclusive DFT study
- Author
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Suman Mahendia, Boddepalli SanthiBhushan, Mayank Pathak, Manoj Karakoti, Ritu Jangra, Gaurav Tatrari, Nanda Gopal Sahoo, and Chetna Tewari
- Subjects
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 - Abstract
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.
- Published
- 2021
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