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• W2044499354 abstract "Germanane (GeH) and silicane (SiH) are the fully hydrogenated forms of germanene and silicene, the Ge- and Si-analogues of graphene. Here we use density-functional theory calculations to probe the properties of GeH and SiH sheets and their dependence on applied uni-axial compression. We find that GeH polymorphs with distinct hydrogen arrangements have markedly different energy band gaps. We also show that, when compressed, GeH forms superstructures with parts in low- and wide-gap geometries, enabling the creation of alternating polymorph nano-ribbons. An alternative to superstructure formation is the adoption by GeH of a corrugated form with extreme bending. Silicane shows similar behavior under compression, with either high corrugation, or successive parts with different geometries. Finally, we demonstrate that interaction with a substrate can influence the relative stability of GeH overlayer polymorphs. Overall, the results reveal ways to enhance the functionalities of these two-dimensional materials through the formation of superstructures with sizeable quantum well effects or outstanding mechanical response." @default.
• W2044499354 created "2016-06-24" @default.
• W2044499354 creator A5010393327 @default.
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• W2044499354 date "2013-09-28" @default.
• W2044499354 modified "2023-09-27" @default.
• W2044499354 title "Response of silicane and germanane to uni-axial compression: Superstructures, polymorph nano-ribbons, and extreme bending" @default.
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• W2044499354 doi "https://doi.org/10.1063/1.4822263" @default.
• W2044499354 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/24089797" @default.
• W2044499354 hasPublicationYear "2013" @default.
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