DataVXACS Materials LettersPaper
journal article·2025-11-03Open access

Cu-Doped Cs 3 Sb 2 Cl 9 Nanocrystals: Revisiting the Low Bandgap of Cs 2 CuSbCl 6 Double Perovskites

Simone Virga, David F. Macias-Pinilla, Nicola Dengo, Federica Bertolotti, Alessandro Longo, Fei He, Quinten A. Akkerman, Francesco Giannici

ACS Materials Letters· Volume 7· Issue 11
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Source abstract

Abstract

High Resolution Image Download MS PowerPoint Slide Lead-free halide double perovskite Cs 2 CuSbCl 6 nanocrystals have recently been reported to have a low bandgap of 1.66 eV. In this work, we show that the optical absorption spectra and X-ray diffraction patterns previously attributed to Cs 2 CuSbCl 6 can rather be explained with Cs 3 Sb 2 Cl 9:Cu: X-ray absorption spectroscopy identifies [CuCl 3 ] − trigonal pyramids, with Cu 2+ possibly replacing two Cs + sites. The broad low-energy optical absorption is then assigned to localized electronic transitions at copper dopants within the Cs 3 Sb 2 Cl 9 lattice, which do not affect the wide bandgap. Ab initio calculations suggest that Cs 2 CuSbCl 6 is thermodynamically unstable with respect to decomposition to Cs 3 Sb 2 Cl 9, in line with the low reproducibility of Cs 2 CuSbCl 6 observed in its synthesis.
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Research context

NanomaterialsElectronic materials

OpenAlex topics: Perovskite Materials and Applications · Optical properties and cooling technologies in crystalline materials · Quantum Dots Synthesis And Properties

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

Affiliations

Department of Physics and Chemistry, University of Palermo, viale delle Scienze, 90128 Palermo, Italy

Department of Science and High Technology and Total Scattering Laboratory (To.Sca.Lab), University of Insubria, via Valleggio 11, 22100 Como, Italy

BM16-FAME Beamline, The European Synchrotron Research Facility, 71 Avenue des Martyrs, 38000, Grenoble, France

ISMN-CNR, UOS Palermo, via Ugo la Malfa 156, 90143, Palermo, Italy

Chair for Photonics and Optoelectronics, Nano-Institute Munich, Department of Physics, Ludwig-Maximilians-Universität (LMU), Königinstraße 10, 80539 Munich, Germany

Funding

Bundesministerium f?r Bildung und Forschung · Bayerisches Staatsministerium f?r Wissenschaft, Forschung und Kunst · Ministero dell'Universit? e della Ricerca · Solar Technologies go Hybrid · Free State of Bavaria

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