Three-dimensional pulsed field gradient NMR measurements of self-diffusion in anisotropic materials for energy storage applications

Engelke, Simon; Marbella, Lauren E.; Trease, Nicole M.; Volder, Michaël De; Grey, Clare P.

doi:10.1039/c8cp07776b

Cited by 18 publications

(25 citation statements)

References 34 publications

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“…Using EQCM, the mass change of electrode surface related to Faraday's law can be quantitatively calculated to understand the behavior of solvent ions on the electrode surface, providing information on the reaction process of the electrode surface from a new perspective [9,35,49]. The changes in NMR frequency and intensity reflect difference in the molecular structure and chemical environment, giving hints about the ion type and number on the electrode surface or near the surface [50][51][52]. It is worth noting that the quick yet complicated redox reactions on electrodes would bring more challenges in the in-situ studies of pseudocapacitors, thus the ion adsorption and diffusion studies have been focused mainly on EDLC electrodes.…”

Section: In-situ Characterization Techniquesmentioning

confidence: 99%

“…The diffusion (or chemical exchange) of ions between different sites leads to line shape perturbations. When the rate of diffusive motion exceeds the frequency width of the distribution of chemical shifts, a single coalesced resonance is observed which is narrower than the overall distribution of shifts [51,82]. Thus, the in-pore line width gives a measure of how quickly the ions diffuse through the carbon pores; the faster the diffusion is, the narrower the intrapore resonance.…”

Section: In-situ Nuclear Magnetic Resonance (Nmr) Spectroscopymentioning

confidence: 99%

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Advances in in-situ characterizations of electrode materials for better supercapacitors

Su¹,

Ye²

2021

Journal of Energy Chemistry

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Section: In-situ Characterization Techniquesmentioning

confidence: 99%

Section: In-situ Nuclear Magnetic Resonance (Nmr) Spectroscopymentioning

confidence: 99%

Advances in in-situ characterizations of electrode materials for better supercapacitors

Su¹,

Ye²

2021

Journal of Energy Chemistry

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“…Although the self-diffusion of the ions and solvent molecules can be easily obtained from the PFG-NMR and DOSY experiments, electrophoretic NMR (E-NMR) is an indispensable technique for performing in situ measurements of ionic mobilities [46][47][48][49][50][51] under the influence of an electric field. E-NMR is an advanced version of PFG-NMR experiment, where an additional electric field is applied along the magnetic field.…”

Section: Pfg-nmr Dosy and E-nmrmentioning

confidence: 99%

Ion Transport in Organic Electrolyte Solutions for Lithium-ion Batteries and Beyond

Karatrantos¹,

Khan²,

Yan³

et al. 2021

JEPT

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The performance of metal-ion batteries at low temperatures and their fast charge/discharge rates are determined mainly by the electrolyte (ion) transport. Accurate transport properties must be evaluated for designing and/or optimization of lithium-ion and other metal-ion batteries. In this review, we report and discuss experimental and atomistic computational studies on ion transport, in particular, ion diffusion/dynamics, transference number, and ionic conductivity. Although a large number of studies focusing on lithium-ion transport in organic liquids have been performed, only a few experimental studies have been conducted in the organic liquid electrolyte phase for other alkali metals that are used in batteries (such as sodium, potassium, magnesium, etc.). Atomistic computer simulations can play a primary role and predict ion transport in organic liquids. However, to date, atomistic force fields and models have not been explored and developed exhaustively to simulate such organic liquids in quantitative agreement to experimental measurements.

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“…While many lab scale moisture sorption experiments are conducted using thin samples (i.e., one dimensional or 1D type), many real applications require materials with significantly large dimensions (i.e., bulk material or 3D type) 12 – 15 . For example, quantifying the moisture distribution in concrete structures, which are typically 3D geometries, is essential for damage assessment and lifetime estimation 4 .…”

Section: Introductionmentioning

confidence: 99%

Predicting 3D moisture sorption behavior of materials from 1D investigations

Sharma

Sun

Glascoe

2020

Sci Rep

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Moisture in materials can be a source of future outgassing and exacerbate unwanted changes in physical and chemical properties. Here, we investigate the effect of sample size and shape on the moisture transport phenomena through a combined experimental and modeling approach. Several different materials varying in size and shape were investigated over a wide range of relative humidities (0–90%) and temperatures ($$30{-}70^{\,\circ } \hbox {C}$$ 30 - 70 ∘ C ) using gravimetric type dynamic vapor sorption (DVS). A dynamic triple-mode sorption model, developed previously, was employed to describe the experimental results with good success; the model includes absorption, adsorption, pooling (clustering) of species, and molecular diffusion. Here we show that the full triple-mode sorption model is robust enough to predict the dynamic uptake and outgassing of 3-dimensional (3D) samples using parameters derived from quasi-1D samples. This successful demonstration on three different materials (filled polydimethylsiloxane (PDMS), unfilled PDMS, and ceramic inorganic composite) illustrates that the model is robust at describing the scale-independent physics and chemistry of moisture sorption and diffusion materials. This work demonstrates that while sorption mechanisms manifest in testing of all sample sizes, some of these mechanisms were so subtle that they were overlooked in our initial modeling and assessment, illustrating the importance of multi-scale experiments in the development of robust predictive capabilities. Our study also outlines the challenges and viable solutions for global optimization of a multi-parameter model. The ability to quantify moisture sorption and diffusion, independent of scale, using 1D lab-scale experiments enables prediction of long-term bulk materials behavior in real applications.

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Three-dimensional pulsed field gradient NMR measurements of self-diffusion in anisotropic materials for energy storage applications

Abstract: The ability to resolve solvent in- and outside of the pores of mesoscopic porous silicon structures allows the effect of confinement on transport to be explored by 1H and 7Li PFG NMR methods and pore diameters and lengths to be estimated.

Cited by 18 publications

References 34 publications

Advances in in-situ characterizations of electrode materials for better supercapacitors

Advances in in-situ characterizations of electrode materials for better supercapacitors

Ion Transport in Organic Electrolyte Solutions for Lithium-ion Batteries and Beyond

Predicting 3D moisture sorption behavior of materials from 1D investigations

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