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 |
|---|---|
| Main Authors: | , , , , , , , , |
| Format: | Article |
| Language: | English |
| Published: |
ELSEVIER
2024
|
| Subjects: | |
| Online Access: | https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001219069900001 |
| author |
Salleh Nor Azmira; Mohammad Amirul Hakimin; Zakaria Zulfirdaus; Deghfel Bahri; Yaakob Muhamad Kamil; Rahiman Wan; Kheawhom Soorathep; Mohamad Ahmad Azmin |
|---|---|
| spellingShingle |
Salleh Nor Azmira; Mohammad Amirul Hakimin; Zakaria Zulfirdaus; Deghfel Bahri; Yaakob Muhamad Kamil; Rahiman Wan; Kheawhom Soorathep; Mohamad Ahmad Azmin Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations Chemistry |
| author_facet |
Salleh Nor Azmira; Mohammad Amirul Hakimin; Zakaria Zulfirdaus; Deghfel Bahri; Yaakob Muhamad Kamil; Rahiman Wan; Kheawhom Soorathep; Mohamad Ahmad Azmin |
| author_sort |
Salleh |
| spelling |
Salleh, Nor Azmira; Mohammad, Amirul Hakimin; Zakaria, Zulfirdaus; Deghfel, Bahri; Yaakob, Muhamad Kamil; Rahiman, Wan; Kheawhom, Soorathep; Mohamad, Ahmad Azmin Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations INORGANIC CHEMISTRY COMMUNICATIONS English Article 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. ELSEVIER 1387-7003 1879-0259 2024 164 10.1016/j.inoche.2024.112415 Chemistry WOS:001219069900001 https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001219069900001 |
| title |
Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations |
| title_short |
Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations |
| title_full |
Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations |
| title_fullStr |
Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations |
| title_full_unstemmed |
Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations |
| title_sort |
Microwave assisted synthesis of nickel oxide nanoparticles at different pH via sol gel method: Experimental and first-principles investigations |
| container_title |
INORGANIC CHEMISTRY COMMUNICATIONS |
| language |
English |
| format |
Article |
| description |
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. |
| publisher |
ELSEVIER |
| issn |
1387-7003 1879-0259 |
| publishDate |
2024 |
| container_volume |
164 |
| container_issue |
|
| doi_str_mv |
10.1016/j.inoche.2024.112415 |
| topic |
Chemistry |
| topic_facet |
Chemistry |
| accesstype |
|
| id |
WOS:001219069900001 |
| url |
https://www-webofscience-com.uitm.idm.oclc.org/wos/woscc/full-record/WOS:001219069900001 |
| record_format |
wos |
| collection |
Web of Science (WoS) |
| _version_ |
1809679005516824576 |