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

Guoxu Zheng1, Liwei Mao1, Shengfeng Liao1

  • 1School of Computer Science and Technology, Harbin University of Science and Technology, Harbin 150080, China.

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Summary

Copper/Cobalt codoping significantly enhances ZnMoO4/Ni(OH)2 composite performance for lithium storage. This advanced anode material shows superior capacity and stability, driven by optimized structure and electronic properties.

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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.