Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations
Nickel oxide (NiO) nanoparticles were synthesized at different pH levels via a sol - gel method and calcined using microwave assistance. The study explored the effects of pH on NiO nanoparticles morphology, structure and electronic properties. Density functional theory (DFT + U) calculations were em...
| Published in: | INORGANIC CHEMISTRY COMMUNICATIONS |
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| Main Authors: | , , , , , , , , |
| Format: | Article |
| Language: | English |
| Published: |
ELSEVIER
2024
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| Subjects: | |
| Online Access: | https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001219069900001 |
| Summary: | Nickel oxide (NiO) nanoparticles were synthesized at different pH levels via a sol - gel method and calcined using microwave assistance. The study explored the effects of pH on NiO nanoparticles morphology, structure and electronic properties. Density functional theory (DFT + U) calculations were employed to investigate the structural and electronic properties of the material. NiO synthesized at pH 8 displayed superior crystallinity and particle size distribution, with spherical-like nanoparticles averaging 3 nm in size. DFT + U calculations revealed a band gap of 4.07 eV and a surface energy convergence of 51 meV/& Aring; 2 , indicating stability. These findings suggest pH 8 as the optimal condition for NiO synthesis. Electrochemical tests demonstrated a high specific capacitance of 87.7F g -1 at a scan rate of 10 mV s -1 , indicating promising electrochemical properties for supercapacitor applications. |
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| ISSN: | 1387-7003 1879-0259 |
| DOI: | 10.1016/j.inoche.2024.112415 |