Theoretical Specific Capacity and Metal Ion Diffusion Pathway of NiMoO₄ Microspheres for Hybrid Supercapacitors

Small, Journal Year: 2025, Volume and Issue: unknown

Published: Feb. 24, 2025

Abstract Transition metal molybdates are one of the most prominent materials for energy storage devices. The present investigation establishes a strong correlation between structure and electrochemical performance NiMoO 4 through Density Functional Theory (DFT). Initially, microspheres directly deposited on nickel foam using hydrothermal method by tuning experimental parameters. When employed as electrode materials, deliver specific capacity 168.9 mAh g −1 at 1 A . In addition, material retains 80% over 7000 charge‐discharge cycles with 98.3% coulombic efficiency, implying its excellent stability. DFT calculations used to determine potassium ion diffusion 5 layers [110] planes potential landscape is created plane atom minimum hopping algorithm atomic simulation environment. results clearly align theoretical 203 close results. hybrid supercapacitor (HSC) also developed //AC cell delivers 56.3 Wh kg power 421 W negligible loss 15 000 cycles. This offers development battery‐type electrodes supercapacitors fundamental understanding ion‐diffusion in materials’ structure.

Language: Английский

Sodiated two-dimensional 2H-ZrO2: Structural, electronic, interfacial and thermoelectric insights for high-performance battery applications

Journal of Power Sources, Journal Year: 2025, Volume and Issue: 644, P. 237065 - 237065

Published: April 22, 2025

Language: Английский