Structural Evolution and Electronic Properties of Ruthenium-Doped Silicon Clusters: Anion Photoelectron Spectroscopy and Theoretical Calculations of Anionic and Neutral RuSi n ( n = 13–17) Clusters
Abstract
The structural evolution, electronic properties, and thermodynamic stability of ruthenium-doped silicon clusters (RuSi n –, n = 13–17) are systematically investigated through a combination of anion photoelectron spectroscopy and high-level theoretical calculations. Anion photoelectron spectra recorded at 266 nm exhibit size-dependent electronic transitions, with vertical detachment energies (VDEs) ranging from 2.87 to 3.28 eV─the computed VDE values show excellent agreement with the experimental data (deviation
Fields of Study & Subjects
Synthesis and characterization of novel inorganic/organometallic compounds
Advanced Chemical Physics Studies
Semiconductor materials and interfaces
Publication details
- Journal / source
- The Journal of Physical Chemistry A
- Publisher
- American Chemical Society (ACS)
- Volume
- 130
- Issue
- 3
- Pages
- 670–681
- Publication date
- 8 January 2026
- Language
- EN