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Structures and electronic properties of VSi<sub><i>n</i></sub><sup>−</sup> (<i>n</i> = 14–20) clusters: a combined experimental and density functional theory study

Kai Wang, Zezhao Jia, Zheng Fan, Hongyuan Zhao, Guangjia Yin, Ramiro Moro, Bernd von Issendorff, Lei Ma

2022Physical Chemistry Chemical Physics34 citationsDOI

Abstract

We present a systematic study of the structures and electronic properties of vanadium-doped silicon cluster anions, VSi n − ( n = 14–20), by combining photoelectron spectroscopy (PES) measurements and density functional theory (DFT) calculations.

Topics & Concepts

Density functional theoryCluster (spacecraft)Electronic structureX-ray photoelectron spectroscopyVanadiumFullereneAtomic physicsSiliconChemistryAtom (system on chip)Molecular physicsCrystallographyMaterials scienceComputational chemistryPhysicsNuclear magnetic resonanceOrganic chemistryEmbedded systemProgramming languageInorganic chemistryComputer scienceMolecular Junctions and NanostructuresBoron and Carbon Nanomaterials ResearchInorganic Chemistry and Materials
Structures and electronic properties of VSi<sub><i>n</i></sub><sup>−</sup> (<i>n</i> = 14–20) clusters: a combined experimental and density functional theory study | Litcius