Abstract

The electronic and optical properties of a new type of hydrogenated graphene in the C${}_{4}$H phase have been studied using the first-principles many-body Green's function method ($\mathit{GW}$ approximation and Bethe--Salpeter equation). It demonstrates that strong charge-transfer excitonic effects dominate the optical properties of C${}_{4}$H. The binding energy of the first exciton, which turns out to be strongly localized, is as large as 1.67 eV. The spatial separation of exited electrons and holes makes C${}_{4}$H a candidate for the realization of excitonic Bose--Einstein condensate. Dark state provides a traveling path for the bound excitons. As the situation in graphane with H vacancies, changing H coverage changes the electronic and optical properties and the associated applications.

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