Probing on the Stable Structure of Silicon-Doped Charged Magnesium Nanomaterial Sensor: SiMgn±1 (N = 2−12) Clusters DFT Study
The stable structures of silicon-doped charged magnesium nanomaterial sensor, SiMgn±1 (n = 2−12) clusters, were systematically investigated using the CALYPSO approach coupled with the density functional theory (DFT). The growth mechanism of SiMgn±1 (n = 2−12) nanosensors shows that the tetrahedral a...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Frontiers Media S.A.
2020-08-01
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| Series: | Frontiers in Materials |
| Subjects: | |
| Online Access: | https://www.frontiersin.org/article/10.3389/fmats.2020.00221/full |