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Enhanced Sodium Ion Storage in Interlayer Expanded Multiwall Carbon Nanotubes.

Ajay Piriya Vijaya Kumar Saroja, Manoharan Muruganathan1, Kamaraj Muthusamy

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Nano Letters
|August 2, 2018
PubMed
Summary

Researchers enhanced sodium ion battery performance by modifying multiwalled carbon nanotubes (MWCNTs). Expanding interlayer spacing in MWCNTs created more active sites, significantly boosting sodium ion storage capacity and stability.

Keywords:
Carbon nanotubesbinding energyexpanded interlayerintercalationpartially expandedsodium ion battery

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • Sodium ion batteries (SIBs) are a promising alternative to lithium ion batteries.
  • Developing efficient anode materials is crucial for advancing SIB technology.
  • Multi-walled carbon nanotubes (MWCNTs) offer potential but require structural optimization for enhanced performance.

Purpose of the Study:

  • To investigate the structural modification of MWCNTs for improved sodium ion storage.
  • To understand the mechanism of sodium ion interaction with modified MWCNTs.
  • To evaluate the electrochemical performance of the modified MWCNTs as an anode material in SIBs.

Main Methods:

  • Density Functional Tight Binding (DFTB) molecular dynamics simulations to study sodium atom interaction.
  • Density Functional Theory (DFT) calculations with van der Waals correction to determine binding energy.
  • Experimental synthesis of partially expanded MWCNTs (PECNTs) using Hummer's method.
  • Electrochemical testing of PECNTs as anode material in sodium ion batteries.

Main Results:

  • A stable physisorption bonding of sodium atoms to PECNTs was observed with a binding energy of -1.50 eV.
  • Partially expanded MWCNTs (PECNTs) exhibited a high specific capacity of 510 mAh g-1 at 20 mA g-1, 2.3 times that of pristine MWCNTs.
  • PECNTs demonstrated satisfactory cyclic stability over 100 cycles at 200 mA g-1.
  • The expanded interlayer spacing provides ample active sites for sodium ion adsorption and intercalation.

Conclusions:

  • Partial expansion of MWCNT interlayers effectively enhances sodium ion storage.
  • PECNTs present a viable and high-performance anode material for sodium ion batteries.
  • The findings offer a new perspective on sodium ion storage mechanisms in carbon-based materials.