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• W2777686774 abstract "We present a tight-binding parametrization for penta-graphene that correctly describes its electronic band structure and linear optical response. The set of parameters is validated by comparing to ab-initio density functional theory calculations for single-layer penta-graphene, showing a very good global agreement. We apply this parameterization to penta-graphene nanoribbons, achieving an adequate description of quantum-size effects. Additionally, a symmetry-based analysis of the energy band structure and the optical transitions involved in the absorption spectra is introduced, allowing for the interpretation of the optoelectronic features of these systems." @default.
• W2777686774 created "2018-01-05" @default.
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• W2777686774 date "2018-07-23" @default.
• W2777686774 modified "2023-10-11" @default.
• W2777686774 title "Tight-binding model for opto-electronic properties of penta-graphene nanostructures" @default.
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• W2777686774 doi "https://doi.org/10.1038/s41598-018-29288-8" @default.
• W2777686774 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/30038379" @default.
• W2777686774 hasPublicationYear "2018" @default.
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