Understanding the shape effect on the structural, energetic, magnetic, and pressure properties of the 38 atom-Co-Fe-Pd nanoalloys using Gupta and DFT calculations

Küçük Resim Yok

Tarih

2024

Dergi Başlığı

Dergi ISSN

Cilt Başlığı

Yayıncı

Iop Publishing Ltd

Erişim Hakkı

info:eu-repo/semantics/openAccess

Özet

The alloy of magnetic metals with noble metals plays a key role in showing the magnetism of 3d metals and the catalytic properties of noble metals. A growing body of evidence suggests that 38 atoms is one of the most critical sizes for Ih and TO motifs. This study analyses the roles played by the shape effect on the structures, energies, magnetism, and pressures of Co6FenPd32-n (n = 0-32) nanoalloys and provides evidence regarding this phenomenon. Therefore, this study should be of value to researchers wishing to conduct future experimental and theoretical studies on the catalytic, electronic, optical, and magnetic properties of nanoalloys.

Açıklama

Anahtar Kelimeler

nanoalloys, magnetism, atomic pressure, optimization, density functional theory

Kaynak

Physica Scripta

WoS Q Değeri

N/A

Scopus Q Değeri

Q2

Cilt

99

Sayı

6

Künye