Mustard gas adsorption on the pristine and BN-doped graphynes: A computational study
Esmail Vessally, Mehdi Vali, Akram Hosseinian, Mohammad Reza Poor Heravi, Ahmadreza Bekhradnia
Topics & Concepts
GraphyneAdsorptionWork functionHOMO/LUMODopingDesorptionElectrical resistivity and conductivityMaterials sciencePhysical chemistryDensity functional theoryChemistryComputational chemistryNanotechnologyOrganic chemistryPhysicsOptoelectronicsMoleculeLayer (electronics)Quantum mechanicsGraphene research and applicationsConducting polymers and applicationsElectrochemical Analysis and Applications