Enhanced gas molecules adsorption on γ-graphyne doped with Fe atom: A first- principles study
Wentao Yang, Bo Zhao, Cuixia Li, Ping Guo, Meng Li, Xu-Jin Ge, Mengxue Zhang, Xiaofei Guan, Jie Wang
Topics & Concepts
GraphyneAdsorptionChemisorptionDopantMoleculeAtom (system on chip)Density functional theoryMulliken population analysisDesorptionDopingChemistryChemical bondChemical physicsPhysical chemistryMaterials scienceComputational chemistryOrganic chemistryOptoelectronicsComputer scienceEmbedded systemGraphene research and applicationsGas Sensing Nanomaterials and SensorsCatalytic Processes in Materials Science