Email this article Electronic Absorption Spectra of Neutral and Charged Silver Molecular Clusters
- Authors: Stolyarchuk M.V.1, Sidorov A.I.1
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Affiliations:
- ITMO University
- Issue: Vol 125, No 3 (2018)
- Pages: 305-310
- Section: Spectroscopy and Physics of Atoms and Molecules
- URL: https://bakhtiniada.ru/0030-400X/article/view/165781
- DOI: https://doi.org/10.1134/S0030400X18090229
- ID: 165781
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Abstract
The structural, energy, and optical properties of charged and neutral molecular clusters (MCs) of silver Agn (n = 2–5) have been simulated within the density functional theory (DFT). It has been shown that the electronic absorption spectrum of neutral MCs is shifted toward lower energies compared to the charged ones. The strengths of the oscillators of neutral MCs are mainly larger than the ones of charged MCs. A comparison of the simulation results with the previously obtained experimental ones for glasses with silver MCs has been carried out.
About the authors
M. V. Stolyarchuk
ITMO University
Author for correspondence.
Email: maxim.stolyarchuk@corp.ifmo.ru
Russian Federation, St. Petersburg, 197101
A. I. Sidorov
ITMO University
Email: maxim.stolyarchuk@corp.ifmo.ru
Russian Federation, St. Petersburg, 197101
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