Understanding mass transport influenced electrocatalysis at the nanoscale via numerical simulation

Lin, Chin E.; Compton, Richard G.

doi:10.1016/j.coelec.2018.08.001

Cited by 43 publications

(35 citation statements)

References 87 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…51 In fact, prior studies have speculated that the most likely transition state position for peroxodisulfate reduction can deviate from the OHP position as a function of applied potential. 10,[62][63][64] Our model provides quantitative confirmation for this hypothesis.…”

Section: Discussionsupporting

confidence: 72%

Modeling Interfacial Electron Transfer in the Double Layer: The Interplay between Electrode Coupling and Electrostatic Driving

Limaye

Willard

2019

J. Phys. Chem. C

View full text Add to dashboard Cite

In this manuscript we present a theoretical model for studying the population dynamics of electrochemical systems within the region of the electrical double layer. We formulate this model in a coordinate system that separately resolves both the transport of redox species in the direction perpendicular to the electrode surface and the thermal fluctuations of the solvent environment that drive electron transfer. This formulation enables us to explore how the observable characteristics of electrochemical systems are influenced by spatial variations in the electric fields and electronic couplings that are inherent to the double-layer. We apply this model to highlight the fundamental interplay between two physical attributes of interfacial electrochemistry: electrode coupling and electrostatic driving. Using a simple model system we demonstrate how variations in the location of electron transfer can lead to systematic changes to the electrochemical transfer coefficient. We also illustrate that for certain redox reactions, differences in electrostatic driving between products and reactants can lead to non-monotonic current voltage behavior.

show abstract

Section: Discussionsupporting

confidence: 72%

Modeling Interfacial Electron Transfer in the Double Layer: The Interplay between Electrode Coupling and Electrostatic Driving

Limaye

Willard

2019

J. Phys. Chem. C

View full text Add to dashboard Cite

show abstract

“…51 In fact, prior studies have speculated that the most likely transition state position for peroxodisulfate reduction can deviate from the OHP position as a function of applied potential. 10, [62][63][64] Our model provides quantitative confirmation for this hypothesis.…”

Section: Discussionsupporting

confidence: 71%

Modeling Interfacial Electron Transfer in the Double Layer: The Interplay Between Electrode Coupling and Electrostatic Driving

Limaye¹,

Willard²

2019

Preprint

View full text Add to dashboard Cite

This manuscript presents a theoretical model for simulating interfacial electron transfer reactions within the electrical double layer. This model resolves the population density of redox active species and simulated electron transfer at the level of Marcus theory, with a fluctuating solvent polarization coordinate. In this model, the kinetics and thermodynamics of electron transfer depend on the values of the electronic coupling of species (to the electrode) and the electrical potential drop, respectively.

show abstract

“…This suggests that the presence of the nanoparticles increases the mass transport to the charge generating sites, probably due to the reduced size of these particles, even at high potential scanning rates. The improvement of mass transport, when in the presence of nanoparticulate material, is related to the contribution of mass transport of the radial rather than linear type, as explored in other works 34 .…”

Section: Resultsmentioning

confidence: 86%

Development and Characterization of PbI2 Nanoparticles for all Solid-State Flexible Supercapacitor Purposes

et al. 2019

View full text Add to dashboard Cite

The development and utilization of new energy sources has been extensively studied in the world. Here, we report the development of flexible self-supported metal-free electrodes based on non-oxidized graphene multilayer (MLG) paper containing the lead iodide nanoparticles (PbI 2-NPs). The PbI 2-NPs was obtained and characterized by X-ray diffraction (XDR) and Raman spectroscopy. Supercapacitor containing the PbI 2-NPs in MLG electrodes was fabricated by a simple method and characterized using atomic force microscopy (AFM), cyclic voltammetry (CV) and galvanostatic charge-discharge techniques. The results show a flexible supercapacitor fashion reaching capacitance values of 154 F/g with high prospects in electronic area. Energy and power densities obtained for the pure MLG supercapacitor were 3.40 µWh cm-2 and 0.73 mW cm-2 , respectively. Regarding to PbI 2-NPs/MLG capacitor the energy and power density obtained were 3.50 Wh kg-1 and 1.10 kW kg-1. The results herein presented open the possibility to new energy storage devices using PbI 2-NPs and MLG flexible supercapacitor configuration.

show abstract

Understanding mass transport influenced electrocatalysis at the nanoscale via numerical simulation

Cited by 43 publications

References 87 publications

Modeling Interfacial Electron Transfer in the Double Layer: The Interplay between Electrode Coupling and Electrostatic Driving

Modeling Interfacial Electron Transfer in the Double Layer: The Interplay between Electrode Coupling and Electrostatic Driving

Modeling Interfacial Electron Transfer in the Double Layer: The Interplay Between Electrode Coupling and Electrostatic Driving

Development and Characterization of PbI2 Nanoparticles for all Solid-State Flexible Supercapacitor Purposes

Contact Info

Product

Resources

About