DataVXChemistry of MaterialsPaper
journal article·2023-08-22Open access

Synthesis and Electronic Structure of Mid-Infrared Absorbing Cu3SbSe4 and CuxSbSe4 Nanocrystals

Annina Moser, Olesya Yarema, Gregorio Garcia, Mathieu Luisier, Filippo Longo, Emanuel Billeter, Andreas Borgschulte, Maksym Yarema, Vanessa Wood

Chemistry of Materials· Volume 35· Issue 16
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Abstract

High Resolution Image Download MS PowerPoint Slide Aliovalent I–V–VI semiconductor nanocrystals are promising candidates for thermoelectric and optoelectronic applications. Famatinite Cu 3 SbSe 4 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 x SbSe 4 nanocrystals. We achieve predictive composition control of size-uniform Cu x SbSe 4 ( 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 x SbSe 4 nanocrystals, a trend which we also confirm experimentally via FTIR spectroscopy. We show that Sb Cu antisite defects can create mid-gap states, which may give rise to sub-bandgap absorption. This work provides a detailed study of Cu x SbSe 4 nanocrystals and highlights the potential opportunities as well as challenges for their application in infrared devices.
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Research context

NanomaterialsElectronic materials

OpenAlex topics: Quantum Dots Synthesis And Properties · Chalcogenide Semiconductor Thin Films · Copper-based nanomaterials and applications

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Institute for Electronics, Department of Information Technology and Electrical Engineering, ETH Zurich, Gloriastrasse 35, CH-8092 Zurich, Switzerland

Departamento de Tecnología Fotónica y Bioingeniería & Instituto de Energía Solar, ETSI Telecomunicación, Universidad Politécnica de Madrid, Ciudad Universitaria, ES-20840 Madrid, Spain

Institute for Integrated Systems, Department of Information Technology and Electrical Engineering, ETH Zurich, Gloriastrasse 35, CH-8092 Zurich, Switzerland

Laboratory for Advanced Analytical Technologies, Empa, Überlandstrasse 129, CH-8600 Dübendorf, Switzerland

Department of Physics, Danmarks Tekniske Universitet, Fysikvej, Building 312, 2800 Kgs. Lyngby, Denmark

Department of Chemistry, University of Zurich, Winterthurerstrasse 190, CH-8057 Zürich, Switzerland

Funding

Schweizerischer Nationalfonds zur F?rderung der Wissenschaftlichen Forschung · Joint Research Network on Advanced Materials and Systems · H2020 European Research Council

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