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Puzzles of Surface Segregation in Binary Pt–Pd Nanoparticles: Molecular Dynamics and Thermodynamic Simulations

Up till now, there have been extremely contradictory opinions and inadequate results concerning surface segregation in binary platinum–palladium (Pt–Pd) nanoparticles, including the problems regarding segregating components, as well as the size and temperature dependences of segregation. Taking into...

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Principais autores: Vladimir Samsonov, Alexander Romanov, Igor Talyzin, Alexander Lutsay, Dmitriy Zhigunov, Vladimir Puytov
Format: Artigo
Sprog:Inglês
Udgivet: MDPI AG 2023-07-01
Serier:Metals
Fag:
Pt–Pd nanoparticles
surface segregation
molecular dynamics
embedded atom method
thermodynamic simulation
Butler equation
Online adgang:https://www.mdpi.com/2075-4701/13/7/1269
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