Efficiency limits of Si/SiO2 quantum well solar cells from first-principles calculations

Radiative Limits in Quantum Well Solar Cells

Quantum wells enable solar cell bandgaps to be tailored to the theoretical optimum, under the assumption of unity absorption. In practice however, quantum well regions are thinner and hence absorb less strongly than bulk material. We predict detailed balance efficiency limits for varying levels of absorptivity in singleand double-junction quantum-well solar cells. These calculations allow us to...

Establishing the limits of efficiency of perovskite solar cells from first principles modeling

The recent surge in research on metal-halide-perovskite solar cells has led to a seven-fold increase of efficiency, from ~3% in early devices to over 22% in research prototypes. Oft-cited reasons for this increase are: (i) a carrier diffusion length reaching hundreds of microns; (ii) a low exciton binding energy; and (iii) a high optical absorption coefficient. These hybrid organic-inorganic ma...

Magnetic properties of Quantum Corrals from first–principles calculations

We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities within the corral and the possibility of the appearance of spin–polarized states. In order to classify the peaks in the calculated density of states with orbital ...

Quantum Mechanical Calculations of Photovoltaic and Photoelectronic Properties of Oligoselenophene/Fullerene BHJ Solar Cells

To model the active layer in the hetero-junction solar cells, the C60, C70, PC60BM, PCBDAN fullerenes as acceptor, and (OS)n=1) oligoselenophenes as donor were considered. The (OS)n=14/C60, (OS)n=14/C70, (OS)n=14/PC60BM, and (OS)n=14/PCBDAN blends as a model of the active layer in the BHJ solar cell were chosen, and the optoelectronic properties were studied. The calculated efficiency of these ...

Magnetism of Chromia from First-Principles Calculations