NO adsorption on the Os, Ir, and Pt embedded tri-s-triazine based graphitic carbon nitride: A DFT study
Deepak Kumar Gorai, Tarun Kumar Kundu
Topics & Concepts
Graphitic carbon nitrideDensity functional theoryAdsorptionHOMO/LUMOMaterials scienceTriazineBand gapCharge densityMoleculeChemistryPhysical chemistryComputational chemistryCatalysisPhysicsOrganic chemistryOptoelectronicsPhotocatalysisQuantum mechanicsPolymer chemistryAdvanced Photocatalysis TechniquesGas Sensing Nanomaterials and Sensors2D Materials and Applications