Igor Zozoulenko
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View article: Deciphering conductivity in PEDOT guided by machine learning: From solvent baths to charge paths
Deciphering conductivity in PEDOT guided by machine learning: From solvent baths to charge paths Open
PEDOT:Tos is a promising conducting polymer for electronic and bioelectronic applications, yet its charge transport is affected by various factors and remains challenging to optimize. This study investigates the impact of solvent posttreat…
View article: Rethinking organic electrochemical transistor modeling: the critical role of volumetric capacitance in predictive 2D Nernst-Planck-Poisson simulations
Rethinking organic electrochemical transistor modeling: the critical role of volumetric capacitance in predictive 2D Nernst-Planck-Poisson simulations Open
Organic electrochemical transistors (OECTs) combine electron/ionic transport with organic semiconductor flexibility to connect biology and electronics. As they approach industrial use, optimizing performance requires accurate modeling of t…
View article: Fully Printed Thermogalvanic Modules for Low-Grade Energy Harvesting
Fully Printed Thermogalvanic Modules for Low-Grade Energy Harvesting Open
Thermogalvanic cells offer a promising route for harvesting low-grade heat by utilizing temperature-dependent redox reactions at spatially separated electrodes. Their potential for low-cost, flexible, and sustainable energy conversion make…
View article: Electrochemical Doping for Absorption and Conductivity Tuning of P(NDI2OD‐T2) Films
Electrochemical Doping for Absorption and Conductivity Tuning of P(NDI2OD‐T2) Films Open
Electrochemical doping of thin films of poly{[N,N′‐bis(2‐octyldodecyl)‐naphthalene‐1,4,5,8‐bis(dicarboximide)‐2,6‐diyl]‐alt‐5,5′‐(2,2′‐bithiophene)} (P(NDI2OD‐T2)) is shown as straightforward method to achieve different degrees of doping b…
View article: Doping Efficiency of Poly(benzodifurandione) from First Principles
Doping Efficiency of Poly(benzodifurandione) from First Principles Open
Poly(benzodifurandione) (PBFDO) has emerged as a promising n-type conductive polymer (n-CP) for organic electronic applications, particularly in thermoelectrics (TE), due to its high doping efficiency and environmental stability. Unlike mo…
View article: Computational Microscopy of Spatial Dopant Distribution in Conjugated Polymer
Computational Microscopy of Spatial Dopant Distribution in Conjugated Polymer Open
Conjugated organic polymers are becoming increasingly important for numerous applications due to their tunable properties, which are often optimized through doping. This study employs molecular dynamics simulations to investigate the distr…
View article: Band Versus Hopping Transport in Conducting Polymers by Ab Initio Molecular Dynamics: Exploring the Effect of Electric Field, Trapping and Temperature
Band Versus Hopping Transport in Conducting Polymers by Ab Initio Molecular Dynamics: Exploring the Effect of Electric Field, Trapping and Temperature Open
Understanding charge carrier transport in conductive polymers is imperative for the materials' synthesis and optimizing devices. While most theoretical studies utilize time‐independent approaches for describing charge transport, there is a…
View article: Anisotropic Lattice Thermal Conductivity in Highly Ordered PEDOT Fibers
Anisotropic Lattice Thermal Conductivity in Highly Ordered PEDOT Fibers Open
When it comes to sustainable and efficient energy solutions, organic semiconductors can play an important role in thermoelectric applications, since they are non‐toxic, cheap, made of abundant chemical species, and show intrinsically low t…
View article: A Rolled Organic Thermoelectric Generator with High Thermocouple Density
A Rolled Organic Thermoelectric Generator with High Thermocouple Density Open
The surge in the number of distributed microelectronics and sensors requires versatile, scalable, and affordable power sources. Heat‐harvesting organic thermoelectric generators (TEGs) are regarded as potential key components of the future…
View article: Migration-mitigated crossover of organic redox anions across a proton-exchange membrane
Migration-mitigated crossover of organic redox anions across a proton-exchange membrane Open
We introduce a membrane electrolyzer for the generation of hydrogen peroxide via oxygen reduction and catalyst-free oxidation of quinones. The study reports the effect of the applied coulombic forces on ions, which is the origin of crossov…
View article: Charge carrier dynamics in conducting polymer PEDOT using <i>ab initio</i> molecular dynamics simulations
Charge carrier dynamics in conducting polymer PEDOT using <i>ab initio</i> molecular dynamics simulations Open
As conducting polymers become increasingly important in electronic devices, understanding their charge transport is essential for material and device development. Various semi-empirical approaches have been used to describe temporal charge…
View article: Mechanical, Morphological, and Charge Transport Properties of NDI Polymers with Variable Built‐in Π‐Conjugation Lengths Probed by Simulation and Experiment
Mechanical, Morphological, and Charge Transport Properties of NDI Polymers with Variable Built‐in Π‐Conjugation Lengths Probed by Simulation and Experiment Open
Mechanically deformable polymeric semiconductors are a key material for fabricating flexible organic thin‐film transistors (FOTFTs)—the building block of electronic circuits and wearable electronic devices. However, for many π‐conjugated p…
View article: What Can We Learn about PEDOT:PSS Morphology from Molecular Dynamics Simulations of Ionic Diffusion?
What Can We Learn about PEDOT:PSS Morphology from Molecular Dynamics Simulations of Ionic Diffusion? Open
Poly(3,4-ethylenedioxythiophene) polystyrene sulfonate(PEDOT:PSS)is one of the most important mixed electron-ion conducting polymers,where the efficiency of the ion transport is crucial for many of itsapplications. Despite the impressive e…
View article: Dynamic Networks of Cellulose Nanofibrils Enable Highly Conductive and Strong Polymer Gel Electrolytes for Lithium‐Ion Batteries
Dynamic Networks of Cellulose Nanofibrils Enable Highly Conductive and Strong Polymer Gel Electrolytes for Lithium‐Ion Batteries Open
Tunable dynamic networks of cellulose nanofibrils (CNFs) are utilized to prepare high‐performance polymer gel electrolytes. By swelling an anisotropically dewatered, but never dried, CNF gel in acidic salt solutions, a highly sparse networ…
View article: Impact of oxidation-induced ordering on the electrical and mechanical properties of a polythiophene co-processed with bistriflimidic acid
Impact of oxidation-induced ordering on the electrical and mechanical properties of a polythiophene co-processed with bistriflimidic acid Open
The interplay between the nanostructure of a doped polythiophene with oligoether side chains and its electrical as well as mechanical properties is investigated.
View article: Inkjet‐Printed, Coplanar Electrolyte‐Gated Organic Field‐Effect Transistors on Flexible Substrates: Fabrication, Modeling, and Applications in Biodetection
Inkjet‐Printed, Coplanar Electrolyte‐Gated Organic Field‐Effect Transistors on Flexible Substrates: Fabrication, Modeling, and Applications in Biodetection Open
The first example of inkjet‐printed, electrolyte‐gated organic field‐effect transistors, fabricated on flexible polyimide substrates is presented. The interdigitated source and drain electrodes, and the coplanar gate electrodes, are inkjet…
View article: Microscopic Insight into the Structure–Processing–Property Relationships of Core–Shell Structured Dialcohol Cellulose Nanoparticles
Microscopic Insight into the Structure–Processing–Property Relationships of Core–Shell Structured Dialcohol Cellulose Nanoparticles Open
In the quest to develop sustainable and environmentally friendly materials, cellulose is a promising alternative to synthetic polymers. However, native cellulose, in contrast to many synthetic polymers, cannot be melt-processed with tradit…
View article: The structure of cellulose nanofibril networks at low concentrations and their stabilizing action on colloidal particles
The structure of cellulose nanofibril networks at low concentrations and their stabilizing action on colloidal particles Open
The structure and dynamics of networks formed by rod-shaped particles can be indirectly investigated by measuring the diffusion of spherical tracer particles. This method was used to characterize cellulose nanofibril (CNF) networks in both…
View article: Rational Materials Design for In Operando Electropolymerization of Evolvable Organic Electrochemical Transistors
Rational Materials Design for In Operando Electropolymerization of Evolvable Organic Electrochemical Transistors Open
Organic electrochemical transistors formed by in operando electropolymerization of the semiconducting channel are increasingly becoming recognized as a simple and effective implementation of synapses in neuromorphic hardware. However, very…
View article: Oxygen reduction reaction at conducting polymer electrodes in a wider context: Insights from modelling concerning outer and inner sphere mechanisms
Oxygen reduction reaction at conducting polymer electrodes in a wider context: Insights from modelling concerning outer and inner sphere mechanisms Open
Practical interest in oxygen reduction reaction (ORR) has traditionally been due to its application at fuel cells’ cathode following its complete 4e route to the water. In search of new electrode materials, it was discovered that conductin…