Photoinduced charge transfer in heterofullerene-donor hybrids: A theoretical study

►N-doped and B-doped fullerenes. ► Heterofullerene-hybrids for photoinduced charge transfer. ► Absorption spectra by TDDFT with long-range corrected functionals. ► Resonance energy transfer dominates over charge transfer in N-doped hybrids. ► B-doped hybrids good charge transfer properties; candidates for optoelectronic applications.