Listar Investigación y Desarrollo por autor "Saillard, Jean-Yves"
Mostrando ítems 1-2 de 2
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Article
From 8- to 18-Cluster Electrons Superatoms: Evaluation via DFT Calculations of the Ligand-Protected W@Au12(dppm)6 Cluster Displaying Distinctive Electronic and Optical Properties (2023)
Wei, Jianyu; MacLeod Carey, Desmond; Halet, Jean-François; Kahlal, Samia; Saillard, Jean-Yves; Muñoz-Castro, Alvaro (American Chemical Society, 2022)The iconic W@Au12 icosahedral bare cluster reaches the favorable closed-shell superatomic electron configuration 1S2 1P6 1D10, making it an 18-cluster electron (18-ce) superatom. Here, we pursue the evaluation of a ... -
Article
Ligand-Induced Cuboctahedral versus Icosahedral Core Isomerism within Eight-Electron Heterocyclic-Carbene-Protected Gold Nanoclusters (2024)
Wei, Jianyu; Kahlal, Samia; Halet, Jean-Francois; Munoz-Castro, Alvaro; Saillard, Jean-Yves (American Chemical Society, 2022)The controlled structural modification of ligand-protected gold clusters is evaluated by a proper variation of the size and shape of N-heterocyclic carbene (NHC) ligands. Density functional theory calculations show that ...