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Interactions of Gas Molecules with Monolayer MoSe 2 : A First Principle Study
(AIP Publishing, 2016)
We present a first principle study of interaction of toxic gas molecules (NO, NO2 and SO2) with MoSe2. The predicted order of sensitivity of gas molecule is NO2 > SO2 > NO. strongly influence the electronic behaviour of ...
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 ...
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 ...
Promising field electron emission performance of vertically aligned one dimensional (1D) brookite (?) TiO2 nanorods
(Royal Society of Chemistry, 2016)
We evidence field-electron emission (FE) studies on the large-area array of one-dimensional (1D) brookite (?) TiO2 nanorods. The pure 1D ?-TiO2 nanorods of 10 nm width and 760 nm long were synthesized on Si substrate ...
Stability and carrier transport properties of phosphorene-based polymorphic nanoribbons
(Institute of Physics Publishing, 2018)
Few-layer black phosphorene has recently attracted significant interest in the scientific community. In this paper, we consider several polymorphs of phosphorene nanoribbons (PNRs) and employ deformation potential theory ...
Stability and electronic properties of hybrid SnO bilayers: SnO/graphene and SnO/BN
(Institute of Physics Publishing, 2017)
Van der Waals structures based on two-dimensional materials have been considered as promising structures for novel nanoscale electronic devices. Two-dimensional SnO films which display intrinsic p-type semiconducting ...
Stability and electronic properties of bilayer graphene spirals
(Elsevier B.V., 2021-01-19)
Spiral topology offers many potential applications to next-generation nanoelectronic devices. The ab-initio simulations are used to investigate the stability and electronic properties of the hexagonal and triangular ...
Twisted helical armchair graphene nanoribbons: mechanical and electronic properties
(Springer Science and Business Media Deutschland GmbH, 2021-05-08)
Abstract: The Hydrogen and Fluorine planar armchairs graphene nanoribbons (H & F AGNRs), subjected to twist deformation within fixed periodic boundary conditions. H-AGNRs is highly elastic in nature, though passivation ...