Synthesis and Electronic Structure of Mid-Infrared Absorbing Cu₃SbSe₄ and Cu_xSbSe₄ 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 Cu_xSbSe₄ nanocrystals. We achieve predictive composition control of size-uniform Cu_xSbSe₄ (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 Cu_xSbSe₄ nanocrystals, a trend which we also confirm experi

SUBMITTER: Moser A 

PROVIDER: S-EPMC10448677 | biostudies-literature | 2023 Aug

REPOSITORIES: biostudies-literature