Role of Surface Effects in the Vibrational Density of States and the Vibrational Entropy in Spin Crossover Nanomaterials: A Molecular Dynamics Investigation

Role of Surface Effects in the Vibrational Density of States and the Vibrational Entropy in Spin Crossover Nanomaterials: A Molecular Dynamics Investigation

Size reduction effects on the lattice dynamics of spin crossover (SCO) thin films have been investigated through molecular dynamics (MD) simulations of the density of vibrational states. The proposed simple model structure and reduced force field allows us to obtain good orders of magnitude of the s...

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Bibliografische gegevens
Hoofdauteurs: Alaa Fahs, William Nicolazzi, Gábor Molnár, Azzedine Bousseksou
Formaat: Artikel
Taal:English
Gepubliceerd in: MDPI AG 2021-02-01
Reeks:Magnetochemistry
Onderwerpen:
spin crossover
molecular dynamics
vibrational entropy
surface effects
Online toegang:https://www.mdpi.com/2312-7481/7/2/27

Internet

https://www.mdpi.com/2312-7481/7/2/27

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