Cu/Co Co-Doped ZnMoO₄/Ni(OH)₂: Structure-Electronics Synergistically Optimized High-Efficiency Lithium Storage...

Area of Science:

• Materials Science
• Electrochemistry
• Nanotechnology

Background:

• Developing high-performance anode materials is crucial for advanced lithium-ion batteries.
• Transition metal oxides offer potential but often face challenges with stability and conductivity.
• Doping strategies are explored to tune material properties for enhanced electrochemical applications.

Purpose of the Study:

• To synthesize and investigate the effects of Cu-doped, Co-doped, and Cu/Co codoped ZnMoO4/Ni(OH)2 composite materials.
• To systematically analyze the impact of doping on microstructure, electronic properties, and electrochemical performance.
• To elucidate the synergistic mechanisms behind enhanced lithium storage in codoped materials.

Main Methods:

• Simple synthesis of ZnMoO4/Ni(OH)2 composites with varying doping (Cu, Co, Cu/Co).
• Structural characterization using techniques to analyze morphology and lattice regularity.
• Electrochemical performance evaluation including discharge capacity, cycling stability, and rate capability.
• Density Functional Theory (DFT) calculations to understand electronic structure and ion transport.

Main Results:

• Cu/Co codoped sample exhibited a 3D interconnected porous morphology with improved lattice regularity and uniform elemental distribution.
• Codoped material demonstrated superior initial discharge capacity and retained ~1000 mAh/g after 200 cycles at 0.1 A/g.
• Enhanced rate capability, faster reaction kinetics, and optimized lithium-ion adsorption/migration pathways were observed.
• DFT confirmed reduced band gap, increased electronic density of states, and lowered ion migration energy barriers.

Conclusions:

• Cu/Co codoping is an effective strategy to enhance the electrochemical performance of ZnMoO4/Ni(OH)2 anode materials.
• Synergistic effects of morphology, electronic structure, and ion transport acceleration contribute to superior lithium storage.
• The findings offer significant theoretical and practical implications for designing advanced transition metal oxide-based anode materials.