Publication date: 15th May 2025
Semiconductor nanocrystals have proven to be a promising material platform for a range of optoelectronic applications including in photovoltaic devices and light emitting technologies. However, one major drawback of many of the best performing materials is the presence of toxic, heavy metals (e.g. cadmium or lead). We present the hot injection synthesis of iron sulfide nanocrystals, which are formed from earth-abundant, heavy-metal free sources. Through size control, we shift the band gap from the near-infrared bulk value (0.95 eV for pyrite) into the visible range (>1.7 eV). We investigate the synthetic control of these materials, their atomistic structure, and the self-assembly into nano to microscale structures. We further demonstrate the formation of a magic sized cluster which acts as an intermediate in the formation of larger nanocrystals (>10 nm). This material platform shows promise for control of confinement effects in iron sulfide nanocrystals and tuning of optical properties through interparticle interactions in mesoscale assemblies.