We
use kinetic modeling to explore the current–voltage,
power–voltage, and power conversion efficiency characteristics
of quantum dot dyads and triads as possible light absorption and charge
separation engines in quantum dot, bulk heterojunction solar cells.
The external and internal power conversion quantum efficiencies are
significantly enhanced by introducing a third quantum dot between
the donor and acceptor quantum dots. Given the constraint of comparable
charge-recombination and charge-separation rates, open-circuit voltages
for triads are predicted to be about 10%–17% larger than those
for dyads, and short-circuit currents for triads are about 400% larger
than those for dyads. These improvements in the efficiencies can be
further enhanced by tuning the band-edge energy offset of the middle-position
quantum dot from its neighbors. The band-edge energies of the middle
quantum dot should be tuned so that they form a cascading band-edge
energy alignment from the band-edge energies of the left CdTe QD to
the right CdSe QD. To produce the most favorable solar cell performance,
the middle quantum dot’s conduction (valence) band edge should
be closer to the right quantum dot’s band edge when the charge
recombination rates are low (high) and near the conduction (valence)
band edge of the left quantum dot when the charge recombination rates
are high (low). This analysis identifies important strategies to design
multi-QD assemblies for solar energy harvesting and conversion.