P-Doped graphene–C<sub>60</sub> nanocomposite: a donor–acceptor complex with a P–C dative bond
Rabindranath Lo, Debashree Manna, Pavel Hobza
Abstract
has been observed. This complex formation may enable enhancement in the optical limiting response with potential application in energy harvesting. The stability of the P-C dative bond has been assessed using DFT-D molecular dynamics simulations at 300 K for 10 ps.
Topics & Concepts
GrapheneAcceptorCovalent bondDopingMoleculeDative caseMaterials scienceChemical physicsFullereneElectron transferElectron acceptorChemistryNanotechnologyPhotochemistryPhysicsOptoelectronicsCondensed matter physicsOrganic chemistryLinguisticsPhilosophyGraphene research and applicationsDiamond and Carbon-based Materials ResearchFullerene Chemistry and Applications