Unveiling the structure and interactions of silicene grown on MoS2: insights from hybrid molecular dynamics simulations

Barboza, A.M.; Aliaga, L.C.R.; de Faria, D.F.; Bastos, I.N.

doi:10.1107/S2052520625009187

Acta Crystallographica Section B
Acta Crystallographica
Section B STRUCTURAL SCIENCE, CRYSTAL ENGINEERING AND MATERIALS

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Figure 4
(a) Silicene atomic arrangement highlighting the AB stacking, perpendicular to the z direction, and showing adatom (A), vacancy (V) and isolated (I) Si atom defects. (b) A view normal to the xy plane. The MoS₂ thermal layer has been removed in both figures to ease visualization.

STRUCTURAL SCIENCE
CRYSTAL ENGINEERING
MATERIALS

ISSN: 2052-5206

Volume 81| Part 6| December 2025| Pages 533-539

https://doi.org/10.1107/S2052520625009187

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