Quantum-Mechanical Assessment of the Energetics of Silver Decahedron Nanoparticles
We present a quantum-mechanical study of silver decahedral nanoclusters and nanoparticles containing from 1 to 181 atoms in their static atomic configurations corresponding to the minimum of the <i>ab initio</i> computed total energies. Our thermodynamic analysis compares T = 0 K excess...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2020-04-01
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| Series: | Nanomaterials |
| Subjects: | |
| Online Access: | https://www.mdpi.com/2079-4991/10/4/767 |