Anionic Germanium–Niobium Clusters: Atomic Structure, Mechanisms of Cluster Formation, and Electronic Spectra
- Authors: Borshch N.A.1, Kurganskii S.I.2
-
Affiliations:
- Voronezh State Technical University
- Voronezh State University
- Issue: Vol 92, No 9 (2018)
- Pages: 1720-1726
- Section: Structure of Matter and Quantum Chemistry
- URL: https://journals.rcsi.science/0036-0244/article/view/170122
- DOI: https://doi.org/10.1134/S0036024418090078
- ID: 170122
Cite item
Abstract
Results from optimizing the atomic structure of anionic clusters \({\text{NbGe}}_{n}^{ - }\) (n = 8−20) are presented, along with their calculated electronic spectra. The calculations are performed within the density functional theory. The real spatial structures of the clusters are determined by comparing the calculated and known experimental data.
Keywords
About the authors
N. A. Borshch
Voronezh State Technical University
Author for correspondence.
Email: n.a.borshch@ya.ru
Russian Federation, Voronezh, 394000
S. I. Kurganskii
Voronezh State University
Email: n.a.borshch@ya.ru
Russian Federation, Voronezh, 394036