Synthesis and Electronic Structure of Mid-Infrared Absorbing Cu₃SbSe₄ and CuₓSbSe₄ Nanocrystals
Abstract
Aliovalent I–V–VI semiconductor nanocrystals are promising candidates for thermoelectric and optoelectronic applications. Famatinite Cu₃SbSe₄ stands out due to its high absorption coefficient and narrow band gap in the mid-infrared spectral range. This paper combines experiment and theory to investigate the synthesis and electronic structure of colloidal CuₓSbSe₄ nanocrystals. We achieve predictive composition control of size-uniform CuₓSbSe₄(x = 1.9–3.4) nanocrystals. Density functional theory (DFT)-parametrized tight-binding simulations on nanocrystals show that the more the Cu-vacancies, the wider the band gap of CuₓSbSe₄ nanocrystals, a trend which we also confirm experimentally via FTIR spectroscopy. We show that Sb꜀ᵤ antisite defects can create mid-gap states, which may give rise to sub-bandgap absorption. This work provides a detailed study of CuₓSbSe₄ nanocrystals and highlights the potential opportunities as well as challenges for their application in infrared devices. Show more
Permanent link
https://doi.org/10.3929/ethz-b-000628805Publication status
publishedExternal links
Journal / series
Chemistry of MaterialsVolume
Pages / Article No.
Publisher
American Chemical SocietySubject
Defects; Defects in solids; Electrical conductivity; Nanocrystals; PrecursorsOrganisational unit
03925 - Luisier, Mathieu / Luisier, Mathieu
09701 - Yarema, Maksym / Yarema, Maksym
Funding
852751 - Solution-Based Engineering of Nanodimensional Phase-Change Materials and Memory Devices (EC)
175889 - Multi-length Scale Engineering of Thermal Properties of Nanocrystals and their Composite Films: Fundamentals and Applications (SNF)
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