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. 2022 Aug 11;23(21):e202200136. doi: 10.1002/cphc.202200136

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© 2022 The Authors. ChemPhysChem published by Wiley-VCH GmbH

This is an open access article under the terms of the http://creativecommons.org/licenses/by-nc/4.0/ License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.

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(A) Simulated EELS spectra of a 40 nm Au−Fe alloy NP with various compositions. The quenching of the LSP is clearly appreciable while increasing Fe content. (B) The plot of calculated LSP resonance (LSPR) maximum versus composition for the same alloy and different sizes and compositions, showing the blue‐shift. (C) DOS calculated with DFT for pure Au, Au₉₄Fe₆ and Au₇₅Fe₂₅ showing the appearance of VBS close to Fermi energy (E_F) in the alloys. (D) Calculated free electron density versus alloys composition. (E) Calculated and experimental cell volume versus alloy composition. Reprinted with permission from Ref. [40]. Copyright (2019) American Chemical Society.