Effects of multi-atom doping into Pt13 cluster using Ab initio method
This article mainly intended to investigate the structural and electronic properties of Pt 13 cluster with two atoms doped M (Ag, Ir, and Pd) within the framework of the density functional theory. The plane wave and DoS methods along with spin-polarized exchange–correlation functionals have been use...
Gespeichert in:
Veröffentlicht in: | Theoretical chemistry accounts 2022-10, Vol.141 (10), Article 52 |
---|---|
Hauptverfasser: | , , |
Format: | Artikel |
Sprache: | eng |
Schlagworte: | |
Online-Zugang: | Volltext |
Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
Schreiben Sie den ersten Kommentar!