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Nickel Silicate Hydroxides/Expanded Graphite as a Stable and Fast-Charging Anode for the Next-Generation Li-ion

Ramesh Chandra Sahoo1,2, Manish Kumar Mohanta3, Deepak Kumar Tamudia1

  • 1Energy Materials Laboratory, Centre for Nano and Soft Matter Sciences, Bangalore 562162, India.

ACS Applied Materials & Interfaces
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Nickel silicate hydroxide (NiSi) composites with expanded graphite (EG) offer superior stability and fast-charging for next-generation lithium-ion batteries. These NiSi/EG materials overcome graphite

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AIMD simulationsDFTLi-ion batteriesfast-charging anodenickel silicate hydroxides

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Battery Technology

Background:

  • Graphite anodes in lithium-ion batteries face limitations in specific capacity, rate capability, and stability at high current densities.
  • Nickel silicate hydroxides (NiSi) are promising layered materials with high theoretical capacity and mechanical strength but suffer from poor electronic conductivity.
  • Enhanced electronic conductivity is crucial for improving cyclic stability and enabling fast-charging applications in advanced battery anodes.

Purpose of the Study:

  • To develop NiSi/EG composites for superior electrochemical performance in lithium-ion batteries.
  • To investigate the role of expanded graphite (EG) in enhancing the conductivity and stability of NiSi anodes.
  • To elucidate the mechanisms behind the improved performance using computational methods.

Main Methods:

  • In situ synthesis of NiSi grown over expanded graphite (EG) to form NiSi/EG composites.
  • Electrochemical testing to evaluate specific capacity, cyclic stability, and rate capability.
  • Density functional theory (DFT) and ab initio molecular dynamics simulations to analyze Li-ion interaction and conductivity.

Main Results:

  • NiSi/EG composites demonstrated ultrahigh stability over 3000 cycles at 1 A g-1.
  • A specific capacity of 231 mAh g-1 was achieved at a high current density of 5 A g-1.
  • DFT calculations revealed an n-type Ohmic contact between NiSi and graphene, significantly improving electrical conductivity.

Conclusions:

  • NiSi/EG composites offer a viable alternative anode material for high-performance lithium-ion batteries.
  • The incorporation of EG enhances electronic conductivity and Li-ion migration, enabling fast-charging capabilities.
  • Computational simulations provide crucial insights into the enhanced electrochemical performance of NiSi/EG composites.