All Stories

  1. Two-dimensional metal carbide comrade for tracing CO and CO2
  2. Hydrogen evolution reaction electrocatalysis trends of confined gallium phosphide with substitutional defects
  3. Two-dimensional delafossite cobalt oxyhydroxide as a toxic gas sensor
  4. Neurotransmitter-Functionalized Boron Nitride Nanoribbons as Biological Cargo Carriers: Analysis by Density Functional Theory
  5. First principles study of the structural and electronic properties of hetero-structure silicene/SnSe2: Using lattice match model
  6. A new flatland buddy as toxic gas scavenger: A first principles study
  7. Sensing properties of pristine boron nitride nanostructures towards alkaloids: A first principles dispersion corrected study
  8. Ni doping effect on the electronic and sensing properties of 2D SnO2
  9. Nucleobases-decorated boron nitride nanoribbons for electrochemical biosensing: a dispersion-corrected DFT study
  10. “Haeckelite”, a new low dimensional cousin of boron nitride for biosensing with ultra-fast recovery time: a first principles investigation
  11. Structural, Electronic and Dynamical Properties of Curium Monopnictides: Density Functional Calculations