Referenza:
▪ Degaga, G.D., Kaur, S., Pandey, R., Jaszczak, J.A. (2021): First-Principles Study of a MoS2-PbS van derWaals Heterostructure Inspired by Naturally Occurring Merelaniite. Materials, 14. 1649.
Abstract:
Vertically stacked, layered van der Waals (vdW) heterostructures offer the possibility to design materials, within a range of chemistries and structures, to possess tailored properties. Inspired by the naturally occurring mineral merelaniite, this paper studies a vdW heterostructure composed of a MoS2 monolayer and a PbS bilayer, using density functional theory. A commensurate 2D heterostructure film and the corresponding 3D periodic bulk structure are compared. The results find such a heterostructure to be stable and possess p-type semiconducting characteristics. Due to the heterostructure’s weak interlayer bonding, its carrier mobility is essentially governed by the constituent layers; the hole mobility is governed by the PbS bilayer, whereas the electron mobility is governed by the MoS2 monolayer. Furthermore, we estimate the hole mobility to be relatively high (~106 cm2V1s1), which can be useful for ultra-fast devices at the nanoscale.
First-principles study of a MoS2-PbS van der Waals heterostructure inspired by naturally occurring merelaniite
- Marco E. Ciriotti
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First-principles study of a MoS2-PbS van der Waals heterostructure inspired by naturally occurring merelaniite
Marco E. Ciriotti
«Things are interesting only in so far as they relate themselves to other things»
«Things are interesting only in so far as they relate themselves to other things»
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