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• W2801403790 abstract "We have performed first-principle calculations to explore the possibility of synthesizing atomically thin transition metal (TM) layers. Buckled structures as well as planar structures of elemental 2D TM layers result in significantly higher formation energies compared with sp-bonded elemental 2D materials with similar structures, such as silicene and phosphorene. It is shown that the TM layers can be stabilized by surface passivation with HS, C6H5S2, or O, and O passivation is most effective. The surface oxygen passivation can improve stability leading to thermodynamically stable TM monolayers except Au, which is the most non-reactive metal element. Such stabilized TM monolayers also show an electronic structure transition from metallic state of free-standing TM layer to semiconducting O-passivated Mo and W monolayers with band gaps of 0.20–1.38 eV." @default.
• W2801403790 created "2018-05-17" @default.
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• W2801403790 date "2018-04-17" @default.
• W2801403790 modified "2023-10-16" @default.
• W2801403790 title "Atomically thin transition metal layers: Atomic layer stabilization and metal-semiconductor transition" @default.
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• W2801403790 doi "https://doi.org/10.1063/1.5024200" @default.
• W2801403790 hasPublicationYear "2018" @default.
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