▎ 摘　　要

In certain configurations, the aromatic properties of benzene ring structured molecules allow for unpaired, reactive valence electrons (known asradicals). Clar's goblets are such molecules. With an even number of unpairedradicals, these nanographenes are topologically frustrated hydrocarbons in which pi-bonding network and topology of edges give rise to the magnetism. Clar'sgoblets are therefore valued as prospective qubits provided they can be modulated between magnetic states. Using first-principles DFT, we demonstrate the effects of adsorption on both molecule and substrate in a graphene-Clar'sgobletheterostructure. We look at the energy difference bewteen FM and AFM states of the system and discuss underlying physical and chemical mechanisms in reference to the highest occupied molecular orbital (HOMO) and second HOMO(HOMO-1). We find that the HOMO of the molecule in the FM state is right at the Fermi surface, which leads to the hybridization between molecular state andthe graphene state near the Dirac point. Furthermore, we investigate qualitative changes in charge realignment and magnetic state under a variable electricfield. Transitions from FM to AFM and back to FM states are observed