Superhalogens inside fullerenes X@C<sub>2<i>n</i></sub> (X = BO<sub>2</sub>, BeF<sub>3</sub>; 2<i>n</i> = 60, 70)
Mo Xiong, Chuncai Kong, Zhimao Yang, Tao Yang
Abstract
. Energy decomposition analysis on the interaction between the superhalogen and fullerene revealed that electrostatic energy contributes predominantly to the total interaction energy. These endohedral superhalogen fullerenes with cationic fullerenes were predicted to be able to serve as building blocks for one dimensional fullerene-based nanowires when combined with endohedral alkali-metallofullerenes with anionic fullerenes.
Topics & Concepts
FullereneEndohedral fullereneCharge (physics)ElectrochemistryChemical physicsFullerene chemistryMaterials scienceNanotechnologyChemistryPhysicsPhysical chemistryOrganic chemistryElectrodeQuantum mechanicsFullerene Chemistry and ApplicationsBoron and Carbon Nanomaterials ResearchInorganic Chemistry and Materials