DFT investigation of transition metal-doped graphene for the adsorption of HCl gas
Hao Tang, Yang Xiang, Huahan Zhan, Yinghui Zhou, Junyong Kang
Topics & Concepts
GrapheneAdsorptionDensity functional theoryTransition metalDopingMaterials scienceInorganic chemistryMoleculeMetalDensity of statesChemical engineeringChemistryNanotechnologyPhysical chemistryComputational chemistryCatalysisOrganic chemistryCondensed matter physicsMetallurgyEngineeringOptoelectronicsPhysicsGraphene research and applicationsGas Sensing Nanomaterials and Sensors2D Materials and Applications