Publications by authors named "Dhilshada V N"

Using density functional theory (DFT), we have investigated the structural, optical, electronic and magnetic properties of a graphitic carbon nitride (g-CN) and CoN composite to explore the effect of the heterojunction on the photocatalytic performance of g-CN. The structure of g-CN is modified while complexing with CoN and the corresponding stabilization is confirmed through adhesion energy calculation. The phonon spectra analysis furthermore guaranteed the lattice-dynamic stability of the CoN bulk and the CoN slab.

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Article Synopsis
  • Researchers designed nanocomposites using g-CN combined with transition metals (Mn, Fe, Co) and analyzed their properties through advanced density functional theory (DFT) calculations.
  • The study found that g-CN/FeN and g-CN/CoN heterojunctions demonstrated superior photocatalytic performance due to increased visible light absorption and reduced electron-hole recombination.
  • This research is notable for being the first to incorporate transition metals into graphene-based materials for studying photocatalytic activity, highlighting the potential of these heterojunctions as effective photocatalysts for water splitting reactions.
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