Browsing Research Articles (University of Pretoria) by Author "M'Passi-Mabiala, B."

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First-principles studies of SnS2, MoS2 and WS2 stacked van der Waals hetero-multilayers

Mabiala-Poaty, H.B.; Douma, D.H.; Malonda-Boungou, B.R.; Mapasha, Refilwe Edwin; M'Passi-Mabiala, B. (Elsevier, 2018-09)

We present the energetics, structural and electronic properties of SnS2 monolayer stacked with MoS2 and WS2 monolayers making the van der Waals hetero-layers using the first-principles methods. The exchange-correlation ...
Structural and electronic properties of SnS2 stacked nanosheets : an ab-initio study

Mabiala-Poaty, H.B.; Douma, D.H.; M'Passi-Mabiala, B.; Mapasha, Refilwe Edwin (Elsevier, 2018-09)

We present an ab-initio study of the structural and electronic properties of SnS2 stacked nanosheets using the standard LDA and GGA functionals as well as the newly developed variants of the non-local van der Waals (vdW) ...

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