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In this work we investigate phonon transport in low-dimensional, disordered armchair graphene nanoribbons (GNRs). We use the non-equilibrium Green's function (NEGF) simulation technique and the force constant method. We focus on how different parts of the phonon spectrum are influenced by geometrical confinement and line edge roughness. In the ballistic case, phonons throughout the entire phonon energy...
We discuss why low-dimensionality materials are needed to scale logic devices to the 5 nm gate-length. We discuss the advantages and disadvantages of graphene and graphene nanoribbons, the feasibility of Bose-Einstein condensation in bilayer graphene, and the use of 2D topological insulators, such as halogen-functionalized monolayer tin.
Silicon nanowires have been subjected to several experiential and theoretical studies, including chemical tuning with different substituents aiming to tailor the band gap as well as increasing optical absorption efficiency of solar energy. In this study, we report the effect of oxidation on silicon nanowires compared to hydroxyl passivation using theoretical DFT calculations. Surprisingly, extensive...
In spite of remarkable advances in manipulating physical and chemical properties at nanoscale, broadly tuning molecular charge and vibrational modes of single molecules embedded in molecular junctions escaped so far to an efficient control. In this work, we present theoretical results indicating the possibility to continuously drive a redox (viologen) molecule of a junction under electrochemical scanning...
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