| BINARY AND TERNARY SOLVENTS INFLUENCED GROWTH OF THIOL STAPLES MODIFIED NICKEL NANOCLUSTERS AND THEIR TUNABLE SUPERCAPACITANCE |
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Ramadurai Murugan1, Vinitha Packirisamy1, Prabhu Pandurangan2 |
1Center for Global Health Research, Saveetha Medical College and Hospitals, Saveetha Institute of Medical and Technical Science, Thandalam, Chennai- 602 105, Tamilnadu, India
2Department of Physical Chemistry, School of Chemical Science, University of Madras, Guindy Campus, Chennai, Tamilnadu-600 025, India |
Correspondence:
Prabhu Pandurangan, Tel: +91 8939891487,
Email: pprabhumu@gmail.com
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Received: 31 October 2025 • Accepted: 10 March 2026 |
| Abstract |
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Nickel (Ni), a hard silver-white transition metal, is widely recognized for its catalytic and electrochemical properties. In this study, thiol-protected NiO@Ni(II)SR nanoclusters were synthesized via a solvent recrystallization approach using binary (methanol–water, acetone–water) and ternary (methanol–water–acetone) solvent systems to precisely regulate particle nucleation and growth. Density Functional Theory (DFT) frontier orbital analysis revealed strong electron delocalization across Ni, S, and O atoms, confirming efficient ligand-to-metal charge transfer with HOMO and LUMO energies of 0.23306 a.u. and 0.18493 a.u., respectively. The results highlight the critical roles of metal–ligand interactions, reducing agents, and solvent polarity in controlling nanocluster size, surface stabilization, and electronic structure. The synthesized nanoclusters exhibited solvent-dependent particle sizes of 1–9 nm (methanol–water), 1–5 nm (acetone–water), and 1–20 nm (methanol–water–acetone). Electrochemical analysis demonstrated high specific capacitances of ~745 F/g, ~804 F/g, and ~778 F/g, respectively, across the solvent systems. Notably, a ternary phase diagram was established for the first time, illustrating the influence of solvent polarity and microstructural variations on NiO@Ni(II)SR nanocluster growth and their enhanced performance in supercapacitor applications. |
| Keywords:
NiO nanoclusters, Ni(II)SR staples, Supercapacitors, Binary and ternary solvents effects, Electrochemical studies |
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