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Tunnelling Characteristics of Stone-Wales Defects in Monolayers of Sn and Group- V Elements
(Institute of Physics (IOP), 2017)
Topological defects in ultrathin layers are often formed during synthesis and processing, thereby, strongly influencing the electronic properties of the layered systems. For the monolayers of Sn and group-V elements, we ...
Electronic, Mechanical, and Dielectric Properties of Two-Dimensional Atomic Layers of Noble Metals
(Springer New York LLC, 2017)
We present density functional theory-based electronic, mechanical, and dielectric properties of monolayers and bilayers of noble metals (Au, Ag, Cu, and Pt) taken with graphene-like hexagonal structure. The Au, Ag, and Pt ...
Ultra-narrow blue phosphorene nanoribbons for tunable optoelectronics
(Royal Society of Chemistry, 2017)
We report optoelectronic properties of ultra-narrow blue phosphorene nanoribbons (BPNRs) within the state-of-the-art density functional theory framework. The positive but small value of formation energy (?0.1 eV per atom) ...
Electronic properties and STM images of vacancy clusters and chains in functionalized silicene and germanene
(Elsevier B.V., 2017)
Electronic properties and STM topographical images of X (=F, H, O) functionalized silicene and germanene have been investigated by introducing various kind of vacancy clusters and chain patterns in monolayers within density ...
First principles study of electronic and thermoelectric performance of Li intercalated MoSe 2 nanotubes
(American Institute of Physics Inc., 2017)
We present a comparative study of pristine and Li intercalated MoSe 2 nanotube of armchair (6, 6) and zigzag (10, 0) chirality within the framework of density functional theory (DFT). Pristine nanotube is found to have ...