Localization of Ag Dopant Atoms in CdSe Nanocrystals by Reverse Monte Carlo Analysis of EXAFS Spectra
Source abstract
Abstract
The structure of CdSe nanocrystals doped with 0.2%–2.5% Ag corresponding to 1.1–13.6 Ag atoms per nanocrystal is studied in detail by a combination of X-ray diffraction (XRD) and X-ray absorption spectroscopy at the Ag–K, Cd–K, and Se–K edges. X-ray absorption near-edge structure (XANES) data are compared with ab initio multiple scattering simulations. Extended X-ray absorption fine structure (EXAFS) spectra are analyzed by reverse Monte Carlo (RMC) simulations. The XANES data provide evidence that Ag is located inside the CdSe nanocrystals, and the EXAFS spectra show that the local structure of Ag can be described by tetrahedral interstitial sites in either wurtzite or zinc blende lattices similar to the coordination of Ag in Ag 2 Se.
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Research context
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
Nanoparticle Process Technology and Center for Nanointegration Duisburg-Essen (CENIDE), University of Duisburg-Essen, 47057 Duisburg, Germany
Department of Chemical Engineering, University of Minnesota, Minneapolis, Minnesota 55455, United States
Optical Materials Engineering Laboratory, ETH Zurich, 8092 Zurich, Switzerland
Funding
Division of Materials Research · Deutsche Forschungsgemeinschaft · Schweizerische Nationalfonds zur F?rderung der Wissenschaftlichen Forschung
References (33)
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