Modelling of heterogeneous ion transport in conducting polymer supercapacitors

Bamgbopa, Musbaudeen O.; Belaineh, Dagmawi; Mengistie, Desalegn Alemu; Edberg, Jesper; Engquist, Isak; Berggren, Magnus; Tybrandt, Klas

doi:10.1039/d0ta09429c

Cited by 27 publications

(26 citation statements)

References 45 publications

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“…The cyclic voltammogram had a box shape that deviated from the ideal shape with increasing scan rate as observed in the p(ETE-S) root, indicating limiting ionic or electronic transport. 44 The shape was symmetrical, between +0.5 V and À0.5 V, signifying that the roots behaved as symmetrical electrodes. To calculate the capacitance of the rootsupercapacitor, we performed galvanostatic charging-discharging as most supercapacitors are operated in the constant current mode.…”

Section: Resultsmentioning

confidence: 95%

Biohybrid plants with electronic roots via in vivo polymerization of conjugated oligomers

et al. 2021

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Section: Resultsmentioning

confidence: 95%

Biohybrid plants with electronic roots via in vivo polymerization of conjugated oligomers

et al. 2021

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“…Since the programming potentials are relatively small and ohmic leakage can be easily avoided, redox shuttles are the most likely explanation and have been proposed in other models. [ 26 ] Here, we assume a shuttle between residual dissolved oxygen via the two‐electron oxygen reduction reaction to hydrogen peroxide at the cathode and the reverse reaction at the anode ( Figure A).

\begin{align} {\rm O}_{2} + 2{\rm H}^{+} + 2{\rm e}^- &&lt;=&gt; {\rm H}_2{\rm O}_{2} \end{align}

This reaction uses or produces hydrogen ions and affects local water dissociation.…”

Section: Resultsmentioning

confidence: 99%

Coupled Ionic–Electronic Charge Transport in Organic Neuromorphic Devices

Felder

Femmer

Bell

et al. 2022

Advcd Theory and Sims

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Conductive polymer devices with tunable resistance allow low-energy, linear programming for efficient neuromorphic computing. Depolarizing impurities, however, are difficult to exclude and limit device performance through nonideal writes and self-discharge. It is shown that these phenomena can be numerically described by combining two-phase charge transport models with electrochemical self-discharge. The simulations accurately reproduce the experimental data, including cyclic voltammetry and standard neuromorphic functions, such as linear programming of discrete states and short-term potentiation. Impurities affect device write accuracy significantly for long programming times above 1000 ms. The effect is reduced to 0.03% for shorter times. Self-discharge is impacted by device potential as well as impurity concentration. A model-based trade-off between operating parameters nearly triples the number of usable conductance states at ambient conditions. Understanding these device limitations as well as workarounds is a vital step toward the implementation of neuromorphic device networks.

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“…Ions with concentrations c K + and c Cl – (or, for simplicity, c i ) are located in both PEDOT:PSS and electrolyte fractions. The resulting equations for ions are as follows: ,, where V c is an electrostatic potential in the ionic phase, c fix = 0.96 M is the concentration of fixed PSS anions, adopted from Bamgbopa et al, f = F/RT , and i is K + or Cl – .…”

Section: Theoretical Methodsmentioning

confidence: 99%

“…Up until now, there are no theoretical results available for the capacitance of PEDOT:PSS on a molecular level due to interactions of the components of the double layers consisting of oxidized PEDOT oligomers and surrounding counterions (negative sulfonate PSS groups or molecular counterions such as tosylate molecules, TOS – ). While the capacitance characteristics of power papers have already been investigated in supercapacitors, ,, the understanding of the impact from electrode thickness or electrolyte concentrations (i.e., factors responsible for limitation of ionic diffusion) is missing. Another long-standing question concerns the importance of the redox contributions to the overall intrinsic capacitance of the power paper.…”

Section: Introductionmentioning

confidence: 99%

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Volumetric Double-Layer Charge Storage in Composites Based on Conducting Polymer PEDOT and Cellulose

Sahalianov

Say

Abdullaeva

et al. 2021

ACS Appl. Energy Mater.

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Energy storage technology incorporating conducting polymers as the active component in electrode structures, in part based on natural materials, is a promising strategy toward a sustainable future. Electronic and ionic charge transport in poly(3,4-ethylenedioxythiophene) (PEDOT) provides fundamentals for energy storage, governed by volumetric PEDOT:counterion double layers. Despite extensive experimental investigations, a solid understanding of the capacitance in PEDOT-based nanocomposites remains unsatisfactory. Here, we report on the charge storage mechanism in PEDOT composited with cellulose nanofibrils (termed as “power paper”) from three different perspectives: experimental measurements, density functional theory atomistic simulations, and device-scale simulations based on the Nernst–Planck–Poisson equations. The capacitance of the power paper was investigated by varying the film thickness, charging currents, and electrolyte ion concentrations. We show that the volumetric capacitance of the power paper originates from electrostatic molecular double layers defined at atomistic scales, formed between holes, localized in the PEDOT backbone, and their counterions. Experimental galvanostatic cycling characteristics of the power paper is well reproduced within the electrostatic Nernst–Planck–Poisson model. The difference between the specific capacitance and the intrinsic volumetric capacitance is also outlined. Substantial oxygen reduction reactions were identified and recorded in situ in the vicinity of the power paper surface at negative potentials. Purging of dissolved oxygen from the electrolyte leads to the elimination of currents originating from the oxygen reduction reactions and allows us to obtain well-defined electrostatic-capacitive behavior (box-shaped cyclic voltammetry and triangular galvanostatic charge–discharge characteristics) at a large operational potential window from −0.6 V to +0.6 V. The obtained results reveal that the fundamental charge storage is a result of electrostatic Stern double layers in both oxidized and reduced electrodes, and the developed theoretical approaches provide a predictive tool to optimize performance and device design for energy storage devices based on high-performance conducting polymer electrodes.

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Modelling of heterogeneous ion transport in conducting polymer supercapacitors

Abstract: The characteristics of conducting polymer supercapacitors are understood by modelling of heterogeneous ion transport within the electrodes.

Cited by 27 publications

References 45 publications

Biohybrid plants with electronic roots via in vivo polymerization of conjugated oligomers

Biohybrid plants with electronic roots via in vivo polymerization of conjugated oligomers

Coupled Ionic–Electronic Charge Transport in Organic Neuromorphic Devices

Volumetric Double-Layer Charge Storage in Composites Based on Conducting Polymer PEDOT and Cellulose

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