Search Results - "Mohsen Modarresi"
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1
Microscopic Understanding of the Granular Structure and the Swelling of PEDOT:PSS
Published in Macromolecules (11-08-2020)“…The conjugated polymer poly(3,4-ethylenedioxythiophene) polymerized and stabilized in the presence of polystyrenesulfonate (best known as PEDOT:PSS) is a…”
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A nuanced understanding of the doping of poly(3,4-ethylenedioxythiophene) with tosylate
Published in Discover materials (26-05-2023)“…The conducting polymer poly(3,4-ethylenedioxythiophene) (known as PEDOT) is routinely fabricated into doped thin films for investigation of its inherent…”
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3
Topological phase in oxidized zigzag stanene nanoribbons
Published in AIP advances (01-09-2016)“…First-principles and semi-empirical tight binding calculations were performed to understand the adsorption of oxygen on the surface of two dimensional (2D) and…”
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Structural Control of Charge Storage Capacity to Achieve 100% Doping in Vapor Phase-Polymerized PEDOT/Tosylate
Published in ACS omega (24-12-2019)“…Vapor phase polymerization (VPP) is used to fabricate a series of tosylate-doped poly(3,4-ethylenedioxythiophene) (PEDOT) electrodes on carbon paper. The…”
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5
What Can We Learn about PEDOT:PSS Morphology from Molecular Dynamics Simulations of Ionic Diffusion?
Published in Chemistry of materials (25-07-2023)“…Poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (PEDOT:PSS) is one of the most important mixed electron-ion conducting polymers, where the efficiency…”
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Electronic, Optical, Morphological, Transport, and Electrochemical Properties of PEDOT: A Theoretical Perspective
Published in Macromolecules (13-07-2021)“…Among all conducting polymers, PEDOT or poly(3,4-ethylenedioxythiophene) has a special place within the field of organic electronics due to its outstanding…”
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Research Paper: 2D Janus MnSX (X= Cl, Br, I) Monolayers with Intrinsic Ferromagnetism and Half-Metallicity
Published in Fīzīk-i kārburdī Īrān (Online) (01-06-2024)“…Using the first-principles calculations, we have investigated the structural, electronic, and magnetic properties of the two-dimensional Janus MnSX (X= Cl, Br,…”
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8
Water Intake and Ion Exchange in PEDOT:Tos Films upon Cyclic Voltammetry: Experimental and Molecular Dynamics Investigation
Published in Macromolecules (13-07-2021)“…Conductive polymer PEDOT:Tos (3,4-ethylenedioxythiophene doped with molecular tosylate) gained considerable attention in various devices for bioelectronic…”
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9
Large scale mobility calculations in PEDOT (Poly(3,4-ethylenedioxythiophene)): Backmapping the coarse-grained MARTINI morphology
Published in Computational materials science (15-06-2020)“…[Display omitted] •Coarse-Grain MARTINI Molecular Dynamics simulations of PEDOT:Tos are conducted.•A general backmapping method is applied to retrieve the…”
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10
First principle and tight-binding study of strained SnC
Published in The Journal of physics and chemistry of solids (01-12-2017)“…We study the electronic and optical properties of strained single-layer SnC in the density functional theory (DFT) and tight-binding models. We extract the…”
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11
Electrically Engineered Band Gap in Two-Dimensional Ge, Sn, and Pb: A First-Principles and Tight-Binding Approach
Published in Journal of physical chemistry. C (28-05-2015)“…First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of…”
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12
Topological phases in Bi/Sb planar and buckled honeycomb monolayers
Published in Physics letters. A (12-10-2018)“…We investigate topological phases in two-dimensional Bi/Sb honeycomb crystals considering planar and buckled structures, both freestanding and deposited on a…”
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13
First principle study of inducing superconductivity in α-graphyne by hole-doping and biaxial tensile strain
Published in Computational materials science (01-11-2016)“…[Display omitted] •A DFT study of electronic and phononic properties of graphene and α-graphyne is presented.•Hole-doping and biaxial tensile strain affect the…”
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14
DMRG Analysis of Magnetic Order in the Zigzag Edges of Hexagonal CrN Nanoribbons
Published 13-08-2024“…Phys. Rev. B 107, 205418 (2023) We investigate the finite temperature magnetic order at the edges of hexagonal CrN nanoribbons by using the density-functional…”
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15
Effects of interedge scattering on the Wigner crystallization in graphene nanoribbons
Published 14-05-2017“…Phys. Rev. B 95, 235103 (2017) We investigate the effects of coupling between the two zigzag edges of graphene nanoribbons on the Wigner crystallization of…”
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Electrically Engineered Band Gap in Two-Dimensional Ge, Sn, and Pb: A First-Principles and Tight-Binding Approach
Published 17-04-2015“…First-principles calculations were performed to investigate the electronic structure of two-dimensional (2-D) Ge, Sn, and Pb without and with the presence of…”
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