Exploration of Free Energy Surface of the Au 10 Nanocluster at Finite Temperature

The first step in comprehending the properties of Au clusters is understanding the lowest energy structure at low and high temperatures. Functional materials operate at finite temperatures; however, energy computations employing density functional theory (DFT) methodology are typically carried out a...

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Veröffentlicht in:	Molecules (Basel, Switzerland) Switzerland), 2024-07, Vol.29 (14)
Hauptverfasser:	Rojas-González, Francisco Eduardo, Castillo-Quevedo, César, Rodríguez-Kessler, Peter Ludwig, Jimenez-Halla, José Oscar Carlos, Vásquez-Espinal, Alejandro, Eithiraj, Rajagopal Dashinamoorthy, Cortez-Valadez, Manuel, Cabellos, José Luis
Format:	Artikel
Sprache:	eng
Online-Zugang:	Volltext
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