First-principles calculations to investigate stability, electronic and optical properties of fluorinated MoSi2N4 monolayer
Based on first-principles calculations, variations in the stability as well as the electronic and optical properties of fluorinated MoSi2N4 (MoSi2N4-Fx, x = 0–16) were investigated. Analyses of the adsorption energy and phonon band dispersions proved that the fluorinated MoSi2N4 formed a stable stru...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Elsevier
2021-11-01
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| Series: | Results in Physics |
| Subjects: | |
| Online Access: | http://www.sciencedirect.com/science/article/pii/S2211379721009062 |