Density functional theory calculation of monolayer WTe2 transition metal dichalcogenides doped with H, Li and Be

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Authors

Igumbor, Emmanuel
Mapasha, Refilwe Edwin
Meyer, Walter Ernst

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Elsevier

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Total energy calculations, Structural properties, Electronic properties, Density functional theory (DFT), Formation energy, Dopant, Electronic structure

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Igumbor, E., Mapasha, R.E. & Meyer, W.E. 2018, 'Density functional theory calculation of monolayer WTe2 transition metal dichalcogenides doped with H, Li and Be', Physica B: Condensed Matter, vol. 535, pp. 167-170.