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Structural properties of conductive polymer blends interfaced with water: computational insights from PEDOT:PSS

Journal of materials chemistry. C, Materials for optical and electronic devices, 2024-10

2024

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Exploring the Kinetics of Solution Polymerization of Butyl Acrylate for Tailoring a Microstructure at Elevated Temperatures

Industrial & engineering chemistry research, 2024-08, Vol.63 (32), p.14064-14073

2024

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Using Molecular Structure to Tune Intrachain and Interchain Charge Transport in Indacenodithiophene-Based Copolymers

Journal of the American Chemical Society, 2024-08, Vol.146 (31), p.21778-21790

2024

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Proton exchange membranes based on sulfonated polybutylene fumarate: Preparation and characterization

Journal of polymer science (2020), 2024-08, Vol.62 (15), p.3320-3333

2024

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From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery

Journal of chemical theory and computation, 2024-05, Vol.20 (9), p.4019-4028

2024

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Molecular Insight into the Effect of Polymer Topology on Wettability of Block Copolymers: The Case of Amphiphilic Polyurethanes

Langmuir, 2024-01, Vol.40 (1), p.62-71

2024

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Morphology and Transport Study of Acid–Base Blend Proton Exchange Membranes by Molecular Simulations: Case of Chitosan/Nafion

The journal of physical chemistry. B, 2023-12, Vol.127 (49), p.10624-10635

2023

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Microstructural Model of Indacenodithiophene-co-benzothiadiazole Polymer: π‑Crossing Interactions and Their Potential Impact on Charge Transport

The journal of physical chemistry letters, 2023-10, Vol.14 (39), p.8867-8873

2023

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Polyelectrolyte Membranes Based on Nafion/Chitosan Blends for Direct Methanol Fuel Cell Application

Journal of the Electrochemical Society, 2023-08, Vol.170 (8), p.84504

2023

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PolySMart: a general coarse-grained molecular dynamics polymerization scheme

Materials horizons, 2023-06, Vol.1 (6), p.2281-2296

2023

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Role of Side-Chain Lengths on Hydronium Mobility in Sulfonated Poly(ether sulfone) Proton-Conducting Model Membranes

Journal of physical chemistry. C, 2023-05, Vol.127 (18), p.8462-8472

2023

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Modeling surface segregation of smart PU coatings at hydrophilic and hydrophobic interfaces via coarse-grained molecular dynamics and mesoscopic simulations

Progress in organic coatings, 2023-01, Vol.174, p.107279, Article 107279

2023

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Morphology of conducting polymer blends at the interface of conducting and insulating phases: insight from PEDOT:PSS atomistic simulations

Journal of materials chemistry. C, Materials for optical and electronic devices, 2022-11, Vol.1 (42), p.16126-16137

2022

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Understanding ion diffusion in anion exchange membranes; effects of morphology and mobility of pendant cationic groups

Journal of materials chemistry. A, Materials for energy and sustainability, 2022-09, Vol.1 (35), p.18295-1837

2022

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Insight into the relationship between molecular morphology and water/ion diffusion in cation exchange membranes: Case of partially sulfonated polyether sulfone

Journal of membrane science, 2022-07, Vol.654, p.120561, Article 120561

2022

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The effect of surface chemistry on anti-soiling properties of transparent perfluoroalkyl and alkyl modified silica coatings

Surfaces and interfaces, 2022-06, Vol.30, p.101824, Article 101824

2022

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Enhanced hemocompatibility of a PEGilated polycarbonate based segmented polyurethane

International journal of polymeric materials, 2022-05, Vol.71 (7), p.531-539

2022

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Monte Carlo simulation of solution polymerization of butyl acrylate over a wide range of temperatures

Computational materials science, 2022-04, Vol.205, p.111230, Article 111230

2022

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Supramolecular Engineering of Alkylated, Fluorinated, and Mixed Amphiphiles

Macromolecular rapid communications., 2022-04, Vol.43 (8), p.e2100914-n/a

2022

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Effect of Network Topology on the Protein Adsorption Behavior of Hydrophilic Polymeric Coatings

ACS applied polymer materials, 2022-01, Vol.4 (1), p.129-140

2022

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A New Insight into the Relationship between Molecular Morphology and Water/Ion Diffusion in Cation Exchange Membranes: Case of Partially Sulfonated Polyether Sulfone

SSRN Electronic Journal

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Hydrophobicity of Self-Assembled Monolayers of Alkanes: Fluorination, Density, Roughness, and Lennard-Jones Cutoffs

Langmuir, 2021-11, Vol.37 (47), p.13846-13858

2021

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Superior anti-biofouling properties of mPEG-modified polyurethane networks via incorporation of a hydrophobic dangling chain

Progress in organic coatings, 2021-09, Vol.158, p.106358, Article 106358

2021

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Synthesis of segmented polyurethanes containing different oligo segments: Experimental and computational approach

Progress in organic coatings, 2021-01, Vol.150, p.105965, Article 105965

2021

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Hydrophilic dangling chain interfacial segregation in polyurethane networks at aqueous interfaces and its underlying mechanisms: molecular dynamics simulations

Physical chemistry chemical physics : PCCP, 2020-11, Vol.22 (45), p.26351-26363

2020

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Structural properties of conductive polymer blends interfaced with water: computational insights from PEDOT:PSS

Exploring the Kinetics of Solution Polymerization of Butyl Acrylate for Tailoring a Microstructure at Elevated Temperatures

Using Molecular Structure to Tune Intrachain and Interchain Charge Transport in Indacenodithiophene-Based Copolymers

Proton exchange membranes based on sulfonated polybutylene fumarate: Preparation and characterization

From Chemical Drawing to Electronic Properties of Semiconducting Polymers in Bulk: A Tool for Chemical Discovery

Molecular Insight into the Effect of Polymer Topology on Wettability of Block Copolymers: The Case of Amphiphilic Polyurethanes

Morphology and Transport Study of Acid–Base Blend Proton Exchange Membranes by Molecular Simulations: Case of Chitosan/Nafion

Microstructural Model of Indacenodithiophene-co-benzothiadiazole Polymer: π‑Crossing Interactions and Their Potential Impact on Charge Transport

Polyelectrolyte Membranes Based on Nafion/Chitosan Blends for Direct Methanol Fuel Cell Application

PolySMart: a general coarse-grained molecular dynamics polymerization scheme

Role of Side-Chain Lengths on Hydronium Mobility in Sulfonated Poly(ether sulfone) Proton-Conducting Model Membranes

Modeling surface segregation of smart PU coatings at hydrophilic and hydrophobic interfaces via coarse-grained molecular dynamics and mesoscopic simulations

Morphology of conducting polymer blends at the interface of conducting and insulating phases: insight from PEDOT:PSS atomistic simulations

Understanding ion diffusion in anion exchange membranes; effects of morphology and mobility of pendant cationic groups

Insight into the relationship between molecular morphology and water/ion diffusion in cation exchange membranes: Case of partially sulfonated polyether sulfone

The effect of surface chemistry on anti-soiling properties of transparent perfluoroalkyl and alkyl modified silica coatings

Enhanced hemocompatibility of a PEGilated polycarbonate based segmented polyurethane

Monte Carlo simulation of solution polymerization of butyl acrylate over a wide range of temperatures

Supramolecular Engineering of Alkylated, Fluorinated, and Mixed Amphiphiles

Effect of Network Topology on the Protein Adsorption Behavior of Hydrophilic Polymeric Coatings

A New Insight into the Relationship between Molecular Morphology and Water/Ion Diffusion in Cation Exchange Membranes: Case of Partially Sulfonated Polyether Sulfone

Hydrophobicity of Self-Assembled Monolayers of Alkanes: Fluorination, Density, Roughness, and Lennard-Jones Cutoffs

Superior anti-biofouling properties of mPEG-modified polyurethane networks via incorporation of a hydrophobic dangling chain

Synthesis of segmented polyurethanes containing different oligo segments: Experimental and computational approach

Hydrophilic dangling chain interfacial segregation in polyurethane networks at aqueous interfaces and its underlying mechanisms: molecular dynamics simulations

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