Electronic and thermoelectric properties of quasi-fractal carbon nitride nanoribbons

• Published in: arXiv.org
• Main Authors: Sibatov, R T, Alireza Khalili Golmankhaneh, Meftakhutdinov, R M, Morozova, E V, Timkaeva, D A
• Format: Paper
• Language: English
• Published: Ithaca Cornell University Library, arXiv.org 29.12.2021
• Subjects: Carbon; Carbon nitride; Chemical synthesis; Density functional theory; Fractal geometry; Fractals; Functionals; Green's functions; Molecular dynamics; Nanoribbons; Thermoelectricity; Transport phenomena; Transport properties; Triangles

Recent works devoted to the synthesis of artificial molecular systems with quasi-fractal geometry provide new opportunities for the experimental study of electronic properties in atomic systems of fractional dimension. There has been a renewed interest in theoretical studies of transport phenomena in fractal nanosystems. In this work, using calculations based on the density functional theory, molecular dynamics, and the method of non-equilibrium Green functions, we study electronic and thermoelectric properties of a device based on quasi-fractal carbon nitride nanoribbon with Sierpinski triangle blocks. We estimate changes in transport properties with generation g of quasi-fractal blocks in nanoribbon.