Utilization of machine learning to accelerate colloidal synthesis and discovery.

Machine learning techniques are seeing increased usage for predicting new materials with targeted properties. However, widespread adoption of these techniques is hindered by the relatively greater experimental efforts required to test the predictions. Furthermore, because failed synthesis pathways are rarely communicated, it is difficult to find prior datasets that are sufficient for modeling. This work presents a closed-loop machine learning-based strategy for colloidal synthesis of nanoparticles, assuming no prior knowledge of the synthetic process, in order to show that synthetic discovery can be accelerated despite limited data availability.

PbSe quantum dot solar cells with more than 6% efficiency fabricated in ambient atmosphere.

Colloidal quantum dots (QDs) are promising candidates for the next generation of photovoltaic (PV) technologies. Much of the progress in QD PVs is based on using PbS QDs, partly because they are stable under ambient conditions. There is considerable interest in extending this work to PbSe QDs, which have shown an enhanced photocurrent due to multiple exciton generation (MEG). One problem complicating such device-based studies is a poor stability of PbSe QDs toward exposure to ambient air. Here we develop a direct cation exchange synthesis to produce PbSe QDs with a large range of sizes and with in situ chloride and cadmium passivation. The synthesized QDs have excellent air stability, maintaining their photoluminescence quantum yield under ambient conditions for more than 30 days. Using these QDs, we fabricate high-performance solar cells without any protection and demonstrate a power conversion efficiency exceeding 6%, which is a current record for PbSe QD solar cells.

Quantum dot PbS(0.9)Se(0.1)/TiO2 heterojunction solar cells.

We report on photovoltaic cells based on ternary PbS(0.9)Se(0.1) quantum dots utilizing a heterojunction type device configuration. The best device shows an AM 1.5 power conversion efficiency of 4.25%. Furthermore, this ternary PbS(x)Se(1-x) quantum dot heterojunction device has a peak external quantum efficiency above 100% at 2.76 eV, approximately 2.7× the bandgap energy. The ternary quantum dots combine the higher short circuit currents of the binary PbSe system with the higher open circuit voltages of the binary PbS system.