Ab initio study of adsorption and diffusion of lithium on transition metal dichalcogenide monolayers
Using first principles calculations, we studied the stability and electronic properties of transition metal dichalcogenide monolayers of the type MX2 (M = Ti, Zr, Hf, V, Nb, Ta, Mo, Cr, W; X= S, Se, Te). The adsorption and diffusion of lithium on the stable MX2 phase was also investigated for potent...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Beilstein-Institut
2017-12-01
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| Series: | Beilstein Journal of Nanotechnology |
| Subjects: | |
| Online Access: | https://doi.org/10.3762/bjnano.8.270 |