Doping atom to tune electronic characteristics and adsorption of cyclo[18] carbons: A theoretical study
Xiufang Hou, Yuxin Ren, Feng Fu, Xin Tian
Topics & Concepts
ChemistryHeteroatomDopingDensity functional theoryAdsorptionComputational chemistryPerturbation theory (quantum mechanics)Atom (system on chip)Physical chemistryOrganic chemistryRing (chemistry)Condensed matter physicsComputer sciencePhysicsEmbedded systemQuantum mechanicsSynthesis and Properties of Aromatic CompoundsFullerene Chemistry and ApplicationsAdvanced Chemical Physics Studies