  The recent advent of two-dimensional monolayer materials with tunable
optoelectronic properties and high carrier mobility offers renewed
opportunities for efficient, ultra-thin excitonic solar cells alternative to
those based on conjugated polymer and small molecule donors. Using
first-principles density functional theory and many-body calculations, we
demonstrate that monolayers of hexagonal BN and graphene (CBN) combined with
commonly used acceptors such as PCBM fullerene or semiconducting carbon
nanotubes can provide excitonic solar cells with tunable absorber gap,
donor-acceptor interface band alignment, and power conversion efficiency, as
well as novel device architectures. For the case of CBN-PCBM devices, we
predict the limit of power conversion efficiencies to be in the 10 - 20% range
depending on the CBN monolayer structure. Our results demonstrate the
possibility of using monolayer materials in tunable, efficient, polymer-free
thin-film solar cells in which unexplored exciton and carrier transport regimes
are at play.
