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Electronic, Optical, Morphological, Transport, and Electrochemical Properties of PEDOT: A Theoretical Perspective

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Redox States of Long Oligothiophenes: Two Polarons on a Single Chain
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Poly(3,4-ethylenedioxythiophene) and Its Derivatives: Past, Present, and Future
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Steady‐State and Transient Behavior of Organic Electrochemical Transistors
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Insulator Polarization Mechanisms in Polyelectrolyte‐Gated Organic Field‐Effect Transistors
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Understanding the Capacitance of PEDOT:PSS
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Nature of the optical transitions in charged oligothiophenes
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Electrochemistry of Poly(3,4‐alkylenedioxythiophene) Derivatives
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Microscopic Understanding of the Anisotropic Conductivity of PEDOT:PSS Thin Films
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Conducting Polymer Composite Materials for Hydrogen Generation
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Significant Electronic Thermal Transport in the Conducting Polymer Poly(3,4‐ethylenedioxythiophene)
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Low‐Dimensional Conduction Mechanisms in Highly Conductive and Transparent Conjugated Polymers
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Ion Electron–Coupled Functionality in Materials and Devices Based on Conjugated Polymers
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Electrocatalytic Production of Hydrogen Peroxide with Poly(3,4‐ethylenedioxythiophene) Electrodes
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Effective Approaches to Improve the Electrical Conductivity of PEDOT:PSS: A Review
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Optical Measurements Revealing Nonuniform Hole Mobility in Organic Electrochemical Transistors
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Poly(3,4‐ethylenedioxythiophene): Chemical Synthesis, Transport Properties, and Thermoelectric Devices
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Understanding the Impact of Film Disorder and Local Surface Potential in Ultraviolet Photoelectron Spectroscopy of PEDOT
inferredcites →https://doi.org/10.1002/pola.28482openalex-snapshot
Scientific Importance of Water‐Processable PEDOT–PSS and Preparation, Challenge and New Application in Sensors of Its Film Electrode: A Review
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Understanding volumetric capacitance in conducting polymers
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Charge transport and structure in semimetallic polymers
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Theoretical description of charge transport in disordered organic semiconductors
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Charge Transport in Disordered Organic Photoconductors a Monte Carlo Simulation Study
inferredcites →https://doi.org/10.1007/s10854-015-2895-5openalex-snapshot
Review on application of PEDOTs and PEDOT:PSS in energy conversion and storage devices
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Remarkable self-organization and unusual conductivity behavior in cellulose nanocrystal-PEDOT: PSS nanocomposites
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Polarons and bipolarons in doped polythiophene: A theoretical investigation
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Large scale mobility calculations in PEDOT (Poly(3,4-ethylenedioxythiophene)): Backmapping the coarse-grained MARTINI morphology
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PEDOT:PSS nano-particles in aqueous media: A comparative experimental and molecular dynamics study of particle size, morphology and z-potential
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Enhanced thermoelectric properties of poly(3,4-ethylenedioxythiophene) thin films treated with H 2 SO 4
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Recent advances in the synthesis of conducting polymers from the vapour phase
inferredcites →https://doi.org/10.1016/j.pmatsci.2019.100616openalex-snapshot
Progress in understanding structure and transport properties of PEDOT-based materials: A critical review
inferredcites →https://doi.org/10.1016/j.solmat.2012.09.005openalex-snapshot
Spray coated high-conductivity PEDOT:PSS transparent electrodes for stretchable and mechanically-robust organic solar cells
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Discovery Through the Computational Microscope
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Poly(3,4-ethylenedioxythiophene) as promising organic thermoelectric materials: A mini-review
inferredcites →https://doi.org/10.1016/j.synthmet.2019.06.004openalex-snapshot
Isotropic metallic transport in conducting polymers
inferredcites →https://doi.org/10.1016/s0368-2048(01)00323-1openalex-snapshot
Photoelectron spectroscopy of thin films of PEDOT–PSS conjugated polymer blend: a mini-review and some new results
inferredcites →https://doi.org/10.1016/s0370-1573(99)00052-6openalex-snapshot
Electronic structure of conjugated polymers: consequences of electron–lattice coupling
inferredcites →https://doi.org/10.1021/acs.chemmater.6b01035openalex-snapshot
Structure and Dopant Engineering in PEDOT Thin Films: Practical Tools for a Dramatic Conductivity Enhancement
inferredcites →https://doi.org/10.1021/acs.chemmater.6b01762openalex-snapshot
Conducting Polymers for Pseudocapacitive Energy Storage
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Polythiophene: From Fundamental Perspectives to Applications
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Organic Bioelectronics: Bridging the Signaling Gap between Biology and Technology
inferredcites →https://doi.org/10.1021/acs.chemrev.7b00482openalex-snapshot
Conducting Polymers in the Fields of Energy, Environmental Remediation, and Chemical–Chiral Sensors
inferredcites →https://doi.org/10.1021/acs.chemrev.8b00460openalex-snapshot
Computational Modeling of Realistic Cell Membranes
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Pitfalls of the Martini Model
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Machine-Learning Guided Quantum Chemical and Molecular Dynamics Calculations to Design Novel Hole-Conducting Organic Materials
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UV-to-IR Absorption of Molecularly p-Doped Polythiophenes with Alkyl and Oligoether Side Chains: Experiment and Interpretation Based on Density Functional Theory
inferredcites →https://doi.org/10.1021/acs.jpcb.0c10068openalex-snapshot
Ionic Liquid for PEDOT:PSS Treatment. Ion Binding Free Energy in Water Revealing the Importance of Anion Hydrophobicity
inferredcites →https://doi.org/10.1021/acs.jpcb.7b01510openalex-snapshot
Molecular Dynamics Study of Morphology of Doped PEDOT: From Solution to Dry Phase
inferredcites →https://doi.org/10.1021/acs.jpcb.9b01745openalex-snapshot
Why Is Pristine PEDOT Oxidized to 33%? A Density Functional Theory Study of Oxidative Polymerization Mechanism
inferredcites →https://doi.org/10.1021/acs.jpcc.0c01336openalex-snapshot
Electronic Structures and Optical Properties of p-Type/n-Type Polymer Blends: Density Functional Theory Study
inferredcites →https://doi.org/10.1021/acs.jpcc.0c03508openalex-snapshot
Molecular Oxygen Activation at a Conducting Polymer: Electrochemical Oxygen Reduction Reaction at PEDOT Revisited, a Theoretical Study
inferredcites →https://doi.org/10.1021/acs.jpcc.0c08442openalex-snapshot
Experimental and Theoretical Investigation into the Polaron Structure of K-Doped Polyfluorene Films
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Molecular Modeling of Interfaces between Hole Transport and Active Layers in Flexible Organic Electronic Devices
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Oxygen Reduction Reaction in Conducting Polymer PEDOT: Density Functional Theory Study
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Electronic Structures and Optical Absorption of N-Type Conducting Polymers at Different Doping Levels
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Microscopic Understanding of the Granular Structure and the Swelling of PEDOT:PSS
inferredcites →https://doi.org/10.1021/acs.macromol.1c00351openalex-snapshot
Atomistic Modeling of PEDOT:PSS Complexes I: DFT Benchmarking
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Computational Microscopy of PEDOT:PSS/Cellulose Composite Paper
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Prediction of the Wetting Behavior of Active and Hole-Transport Layers for Printed Flexible Electronic Devices Using Molecular Dynamics Simulations
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Substrate-Dependent Morphology and Its Effect on Electrical Mobility of Doped Poly(3,4-ethylenedioxythiophene) (PEDOT) Thin Films
inferredcites →https://doi.org/10.1021/acsami.9b21181openalex-snapshot
Humidity-Controlled Water Uptake and Conductivities in Ion and Electron Mixed Conducting Polythiophene Films
inferredcites →https://doi.org/10.1021/acsapm.8b00061openalex-snapshot
Polarons, Bipolarons, And Absorption Spectroscopy of PEDOT
inferredcites →https://doi.org/10.1021/acsapm.9b00435openalex-snapshot
Can Mobility Negative Temperature Coefficient Be Reconciled with the Hopping Character of Transport in Conducting Polymers?
inferredcites →https://doi.org/10.1021/acsapm.9b00444openalex-snapshot
Controlling the Organization of PEDOT:PSS on Cellulose Structures
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The Optical Signature of Charges in Conjugated Polymers
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Emerging Trends in Polymerization-Induced Self-Assembly
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From Absorption Spectra to Charge Transfer in Nanoaggregates of Oligomers with Machine Learning
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Electrode Materials, Thermal Annealing Sequences, and Lateral/Vertical Phase Separation of Polymer Solar Cells from Multiscale Molecular Simulations
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Polarons, bipolarons, and solitons in conducting polymers
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The Origin of the High Conductivity of Poly(3,4-ethylenedioxythiophene)−Poly(styrenesulfonate) (PEDOT−PSS) Plastic Electrodes
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Electrochemistry of Conducting Polymers—Persistent Models and New Concepts
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Improved Prediction of Properties of π-Conjugated Oligomers with Range-Separated Hybrid Density Functionals
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Unravelling Doping Effects on PEDOT at the Molecular Level: From Geometry to Thermoelectric Transport Properties
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Ionic Liquid Designed for PEDOT:PSS Conductivity Enhancement
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Internal Structure of Planar Electrochemical Doping Fronts in Organic Semiconductors
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Investigation of Charge Carriers in Doped Thiophene Oligomers through Theoretical Modeling of their UV/Vis Spectra
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Development of a Model for Charge Transport in Conjugated Polymers
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Experimental and Theoretical Study of the p- and n-Doped States of Alkylsulfanyl Octithiophenes
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Organic electrochemical transistors
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Electropolymerization on wireless electrodes towards conducting polymer microfibre networks
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Structural control of mixed ionic and electronic transport in conducting polymers
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Madelung and Hubbard interactions in polaron band model of doped organic semiconductors
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Organic electronics for precise delivery of neurotransmitters to modulate mammalian sensory function
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Semi-metallic polymers
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The ReaxFF reactive force-field: development, applications and future directions
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Computational understanding of Li-ion batteries
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Polymer morphology and interfacial charge transfer dominate over energy-dependent scattering in organic-inorganic thermoelectrics
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Finding the equilibrium of organic electrochemical transistors
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Organic mixed ionic–electronic conductors
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Martini 3: a general purpose force field for coarse-grained molecular dynamics
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Modulation of action potentials using PEDOT:PSS conducting polymer microwires
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A simple poly(3,4-ethylene dioxythiophene)/poly(styrene sulfonic acid) transistor for glucose sensing at neutral pH
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Metal-free oxygen reduction electrodes based on thin PEDOT films with high electrocatalytic activity
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Resolving the subnanometric structure of ultrathin films of poly(3,4-ethylenedioxythiophene) on steel surfaces: a molecular modeling approach
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Improvement of the Seebeck coefficient of PEDOT:PSS by chemical reduction combined with a novel method for its transfer using free-standing thin films
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Metallic behaviour of acid doped highly conductive polymers
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Probing the energy levels in hole-doped molecular semiconductors
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Oxygen-induced doping on reduced PEDOT
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Distribution of dopant ions around poly(3,4-ethylenedioxythiophene) chains: a theoretical study
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Morphology of a self-doped conducting oligomer for green energy applications
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Morphology and ion diffusion in PEDOT:Tos. A coarse grained molecular dynamics simulation
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Computational microscopy study of the granular structure and pH dependence of PEDOT:PSS
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Vapor phase synthesized poly(3,4-ethylenedioxythiophene)-trifluoromethanesulfonate as a transparent conductor material
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A theoretical mechanistic study on electrical conductivity enhancement of DMSO treated PEDOT:PSS
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Ionic-to-electronic coupling efficiency in PEDOT:PSS films operated in aqueous electrolytes
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The intrinsic volumetric capacitance of conducting polymers: pseudo-capacitors or double-layer supercapacitors?
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Electrochemical hydrogen production on a metal-free polymer
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Understanding the characteristics of conducting polymer-redox biopolymer supercapacitors
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Modelling of heterogeneous ion transport in conducting polymer supercapacitors
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Hopping transport in doped organic semiconductors: A theoretical approach and its application to p-doped zinc-phthalocyanine
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Carrier hopping in disordered semiconducting polymers: How accurate is the Miller–Abrahams model?
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Perspective on density functional theory
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Computational discovery of hard and superhard materials
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Quantum capacitance devices
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Titratable Martini model for constant pH simulations
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Expanding the understanding of organic electrochemical transistor function
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Mesoscale molecular network formation in amorphous organic materials
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In vivo polymerization and manufacturing of wires and supercapacitors in plants
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The Morphology of Poly(3,4-Ethylenedioxythiophene)
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Linking morphology to thermal conductivity in PEDOT: an atomistic investigation
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The influence of sorbitol doping on aggregation and electronic properties of PEDOT:PSS: a theoretical study
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Evolution of the electronic structure of polyacetylene and polythiophene as a function of doping level and lattice conformation
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Effective transport energy versus the energy of most probable jumps in disordered hopping systems
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Thermoelectric model to characterize carrier transport in organic semiconductors
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Understanding hopping transport and thermoelectric properties of conducting polymers
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Insulator to semimetallic transition in conducting polymers
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Effect of Coulomb correlation on charge transport in disordered organic semiconductors
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Full quantum treatment of charge dynamics in amorphous molecular semiconductors
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Understanding morphology-mobility dependence in PEDOT:Tos
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Impact of synthetic conditions on the anisotropic thermal conductivity of poly(3,4-ethylenedioxythiophene) (PEDOT): A molecular dynamics investigation
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2-D Drift-Diffusion Simulation of Organic Electrochemical Transistors
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Computational Methods in Drug Discovery
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Therapy using implanted organic bioelectronics
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Chemical potential–electric double layer coupling in conjugated polymer–polyelectrolyte blends
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High Rates of Oxygen Reduction over a Vapor Phase–Polymerized PEDOT Electrode
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How conducting polymer electrodes operate
inferredcites →https://doi.org/10.1134/s1811238214010068openalex-snapshot
PEDOT-properties and applications
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Electrochemical Characterization of Electronically Conductive Polypyrrole on Cyclic Voltammograms
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A Mathematical Model for Predicting Cyclic Voltammograms of Electronically Conductive Polypyrrole
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On the Current Saturation Observed in Electrochemical Polymer Transistors
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Electric Transport Properties in PEDOT Thin Films
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PEDOT

What points at this work

Incoming claims: where this work appears in other papers’ reference lists and arguments.

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inferred← citeshttps://doi.org/10.1007/s42114-026-01658-1openalex-snapshot
Computational strategies for designing PEDOT-Based electrodes in electronic applications
inferred← citeshttps://doi.org/10.1016/j.actbio.2024.08.007openalex-snapshot
Electrically conductive coatings in tissue engineering
inferred← citeshttps://doi.org/10.1016/j.carbpol.2022.120345openalex-snapshot
Design of hyaluronan-based dopant for conductive and resorbable PEDOT ink
inferred← citeshttps://doi.org/10.1016/j.cej.2024.153168openalex-snapshot
Synergistic photocatalytic-photothermal contribution induced by Pd-TiO2/PEDOT immobilized in PVDF membrane for enhanced water purification
inferred← citeshttps://doi.org/10.1016/j.cej.2024.154901openalex-snapshot
Mechanism of chloride modification ambipolar polymer electrode materials for high-performance energy storage device
inferred← citeshttps://doi.org/10.1016/j.comptc.2026.115800openalex-snapshot
Molecular conductance versus partial reduction in cellulose monomer: Correlations with electronic structures and spectroscopic bands
inferred← citeshttps://doi.org/10.1016/j.electacta.2025.146343openalex-snapshot
Unveiling the mass transport dynamics in PEDOT:PSS films: Insights from a probe beam deflection analysis
inferred← citeshttps://doi.org/10.1016/j.ensm.2024.103758openalex-snapshot
Wide electrochemical stability window of NaClO4 water-in-salt electrolyte elevates the supercapacitive performance of poly(3,4-ethylenedioxythiophene)
inferred← citeshttps://doi.org/10.1016/j.est.2022.106337openalex-snapshot
Advanced polymer-based materials and mesoscale models to enhance the performance of multifunctional supercapacitors
inferred← citeshttps://doi.org/10.1016/j.jclepro.2025.144703openalex-snapshot
Fast photocatalytic Cr(VI) removal by an organic hybrid silver antimony sulfide coupled with PEDOT
inferred← citeshttps://doi.org/10.1016/j.mtbio.2026.103053openalex-snapshot
Recent advances in electroactive biomaterials and electrical stimulation for skeletal muscle regeneration: materials, strategies, and mechanistic insights
inferred← citeshttps://doi.org/10.1016/j.nxnano.2023.100015openalex-snapshot
The role of PEDOT:PSS in (super)capacitors: A review
inferred← citeshttps://doi.org/10.1016/j.snb.2024.136535openalex-snapshot
Advances in miniaturized droplet-based electrochemical pH sensor
inferred← citeshttps://doi.org/10.1016/j.talanta.2025.128677openalex-snapshot
Anodization treatment of flexible graphite sheet electrodes for Nernstian pH sensing
inferred← citeshttps://doi.org/10.1016/j.trac.2024.118115openalex-snapshot
Advancements in PEDOT-based electrochemical sensors for water quality monitoring: From synthesis to applications
inferred← citeshttps://doi.org/10.1021/acs.chemmater.3c00873openalex-snapshot
What Can We Learn about PEDOT:PSS Morphology from Molecular Dynamics Simulations of Ionic Diffusion?
inferred← citeshttps://doi.org/10.1021/acs.iecr.2c01892openalex-snapshot
Magnetic-Field-Induced Vapor-Phase Polymerization to Achieve PEDOT-Decorated Porous Fe3O4 Particles as Excellent Microwave Absorbers
inferred← citeshttps://doi.org/10.1021/acs.jpcc.4c05602openalex-snapshot
Unveiling the Spectroscopic Signatures of Poly(3,4-ethylenedioxythiophene) by Controlling Polaron and Bipolaron Concentrations
inferred← citeshttps://doi.org/10.1021/acs.macromol.4c01893openalex-snapshot
Molecular Mechanism of Mechanical Breathing in Organic Mixed Ionic-Electronic Conductors
inferred← citeshttps://doi.org/10.1021/acsami.4c10390openalex-snapshot
Fluoridation of D–A Ambipolar Polymers to Accelerate Ion Migration toward High-Performance Symmetric Dual-Ion Energy Storage Devices
inferred← citeshttps://doi.org/10.1021/polymscitech.6c00019openalex-snapshot
Advancements in Functional Polymeric Scaffolds for Scar-Free Skin Regeneration
inferred← citeshttps://doi.org/10.1038/s41528-023-00245-4openalex-snapshot
Fully 3D-printed organic electrochemical transistors
inferred← citeshttps://doi.org/10.1039/d1cp04728kopenalex-snapshot
Doping and coupling strength in molecular conductors: polyacetylene as a case study
inferred← citeshttps://doi.org/10.1039/d2cp02655dopenalex-snapshot
Why does solvent treatment increase the conductivity of PEDOT : PSS? Insight from molecular dynamics simulations
inferred← citeshttps://doi.org/10.1039/d2me00285jopenalex-snapshot
Electron and ion transport in semi-dilute conjugated polyelectrolytes: view from a coarse-grained tight binding model
inferred← citeshttps://doi.org/10.1039/d2tc01618dopenalex-snapshot
Smart textiles for human–machine interface fabricated via a facile on-site vapor-phase polymerization
inferred← citeshttps://doi.org/10.1039/d2tc05103fopenalex-snapshot
Simulation of polymeric mixed ionic and electronic conductors with a combined classical and quantum mechanical model
inferred← citeshttps://doi.org/10.1039/d4nr01449aopenalex-snapshot
Recent advances in PEDOT/PProDOT-derived nano biosensors: engineering nano assemblies for fostering advanced detection platforms for biomolecule detection
inferred← citeshttps://doi.org/10.1039/d4py00574kopenalex-snapshot
Synthesis and polymerization of polyelectrolyte-based conductive inks: the protagonism of the coadjutant oxidizing salt
inferred← citeshttps://doi.org/10.1063/5.0169363openalex-snapshot
Charge carrier dynamics in conducting polymer PEDOT using ab initio molecular dynamics simulations
inferred← citeshttps://doi.org/10.1088/1674-1056/ac4230openalex-snapshot
Thermoelectric transport in conductive poly(3,4-ethylenedioxythiophene)
inferred← citeshttps://doi.org/10.1103/5h7d-yvsdopenalex-snapshot
Deciphering conductivity in PEDOT guided by machine learning: From solvent baths to charge paths
inferred← citeshttps://doi.org/10.3384/9789179291440openalex-snapshot
Computational study of Polymerization, Crystallization and Mechanical Properties of Conducting Polymers
inferred← citeshttps://doi.org/10.3389/fchem.2022.892013openalex-snapshot
Hybrid Organic-Inorganic Materials and Interfaces With Mixed Ionic-Electronic Transport Properties: Advances in Experimental and Theoretical Approaches
inferred← citeshttps://doi.org/10.3390/molecules30010179openalex-snapshot
Recent Advances in the Tunable Optoelectromagnetic Properties of PEDOTs
inferred← citeshttps://doi.org/10.3390/polym13223866openalex-snapshot
Poly(3,4-ethylenedioxythiophene) Electrosynthesis in the Presence of Mixtures of Flexible-Chain and Rigid-Chain Polyelectrolytes
inferred← citeshttps://doi.org/10.3390/polym15112468openalex-snapshot
Hofmeister Series for Conducting Polymers: The Road to Better Electrochemical Activity?
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