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The role of carbon nanotubes in enhanced charge storage performance of VSe 2 : experimental and theoretical insight from DFT simulations.

Sree Raj K AAfsal S ShajahanBrahmananda ChakrabortyChandra Sekhar Rout
Published in: RSC advances (2020)
Herein, we report the hybrid structure of metallic VSe 2 and multi-walled carbon nanotube (MWCNT) based hybrid materials for high performance energy storage and high power operation applications. The dominance of capacitive energy storage performance behaviour of VSe 2 /MWCNT hybrids is observed. A symmetric supercapacitor cell device fabricated using VSe 2 /80 mg MWCNT delivered a high energy density of 46.66 W h kg -1 and a maximum power density of 14.4 kW kg -1 with a stable cyclic operation of 87% after 5000 cycles in an aqueous electrolyte. Using density functional theory calculations we have presented structural and electronic properties of the hybrid VSe 2 /MWCNT structure. Enhanced states near the Fermi level and higher quantum capacitance for the hybrid structure contribute towards higher energy and power density for the nanotube/VSe 2 .
Keyphrases
  • carbon nanotubes
  • density functional theory
  • molecular dynamics
  • ionic liquid
  • single cell
  • monte carlo
  • stem cells
  • molecular dynamics simulations
  • molecular docking
  • energy transfer