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Role of sphingosine-1-phosphate in mast cell functions and asthma and its regulation by non-coding RNA
(Frontiers Media S.A., 2017)
Sphingolipid metabolites are emerging as important signaling molecules in allergic diseases specifically asthma. One of the sphingolipid metabolite, sphingosine-1-phosphate (S1P), is involved in cell differentiation, ...
Alloyed monolayers of Cu, Ag, Au and Pt in hexagonal phase: A comprehensive first principles study
(Elsevier Ltd, 2018)
We present density functional theory (DFT) based comprehensive study of two-dimensional (2D) alloyed monolayers of noble metals (AgCu, AgPt, AgAu, AuCu, AuPt and CuPt) in hexagonal phase within numerical atomic orbitals ...
Electronic structure engineering of various structural phases of phosphorene
(Royal Society of Chemistry, 2016)
We report the tailoring of the electronic structures of various structural phases of phosphorene (?-P, ?-P, ?-P and ?-P) based homo- and hetero-bilayers through in-plane mechanical strains, vertical pressure and transverse ...
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 ...
Shape-dependent electronic properties of blue phosphorene nano-flakes
(American Institute of Physics Inc., 2016)
In recent year's considerable attention has been given to the first principles method for modifying and controlling electronic properties of nano-materials. We performed DFT-based calculations on the electronic properties ...
Tunable electronic and dielectric properties of b-phosphorene nanoflakes for optoelectronic applications
(Royal Society of Chemistry, 2016)
Since the discovery of α-phosphorene, it has drawn considerable attention because of its possible exfoliation as single layers. We report electronic and dielectric properties of β-phosphorene nanoflakes in various ...
2D-HfS 2 as an efficient photocatalyst for water splitting
(Royal Society of Chemistry, 2016)
Two dimensional monolayer nanostructures for water splitting solar photocatalysts are drawing more attention due to their extraordinary properties. Using first principles calculations we have systematically investigated ...
Energetics and Electronic Properties of Pt Wires of Different Topologies on Monolayer MoSe 2
(AIP Publishing, 2016)
The energetics and electronic properties of different of Pt wires including linear, zigzag and ladder structures on MoSe2 have been investigated in the framework of The predicted order of stability of Pt wire on MoSe2 is ...
Electronic Properties of Phosphorene/MoSe 2 Vertical Hetero-structures
(AIP Publishing, 2017)
We report three structurally different and stable phases of MoSe2 namely h-MoSe2 (trigonal prismatic phase), t-MoSe2 (distorted octahedral coordinated phase) and o-MoSe2 (consisting of repeated octagon pairs) and their ...
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 ...