Ab Initio Study of Structural, Electronic, and Thermal Properties of Pt/Pd-Based Alloys

Ab Initio Study of Structural, Electronic, and Thermal Properties of Pt/Pd-Based Alloys

Alloys are beneficial in numerous applications since they combine the desirable properties of different metals. In this regard, Pt/Pd alloys have been investigated as a replacement for Pt, which is the standard catalyst used in various catalytic processes. However, there are still gaps in our unders...

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Bibliographic Details
Main Authors: Louise Magdalene Botha, Cecil Naphtaly Moro Ouma, Kingsley Onyebuchi Obodo, Dmitri Georgievich Bessarabov, Denis Lvovich Sharypin, Pyotr Sergeevich Varyushin, Elizaveta Ivanovna Plastinina
Format: Article
Language:English
Published: MDPI AG 2023-09-01
Series:Condensed Matter
Subjects:
bimetallic platinum palladium
density functional theory
phonon dynamics
phonon band structure
elastic properties
phase stability
Online Access:https://www.mdpi.com/2410-3896/8/3/76

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