Copper indium sulfide, CuInS2 (CIS), has entered the field of photovoltaic cells for about three decades but somehow, they have not met their theoretically predicted efficiency as an absorber material. However, it is being employed a hole transport layer in conjunction with organic–inorganic perovskite solar cells, which offer improved environmental stability at reduced production cost. This co...

Quantum dots (QDs) with core/shell (c/s) type configurations are promising candidates for photovoltaic (PV) applications, as they known to enhance the QD stability, and also expected reduce charge carrier recombination both by reducing trap states increasing separation. Hence, here we report detailed first-principles studies of different compositions c/s QDs made from nontoxic materials, namely...