Structural Evolution and Electronic Properties of Selenium-Doped Boron Clusters SeB<sub>n</sub><sup>0/−</sup> (n = 3–16)
A theoretical research of structural evolution, electronic properties, and photoelectron spectra of selenium-doped boron clusters SeB<sub>n</sub><sup>0/−</sup> (n = 3–16) is performed using particle swarm optimization (CALYPSO) software in combination with density functional...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2023-01-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/28/1/357 |