Anionic Germanium–Niobium Clusters: Atomic Structure, Mechanisms of Cluster Formation, and Electronic Spectra
- Autores: Borshch N.1, Kurganskii S.2
-
Afiliações:
- Voronezh State Technical University
- Voronezh State University
- Edição: Volume 92, Nº 9 (2018)
- Páginas: 1720-1726
- Seção: 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
Citar
Resumo
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.
Palavras-chave
Sobre autores
N. Borshch
Voronezh State Technical University
Autor responsável pela correspondência
Email: n.a.borshch@ya.ru
Rússia, Voronezh, 394000
S. Kurganskii
Voronezh State University
Email: n.a.borshch@ya.ru
Rússia, Voronezh, 394036