bluuebunny/crossref_metadata_2025_split huggingface dataset:
(Invited) Composite Electroforming from Ionic Liquids for Energy Applications
Authors: Soergel Timo , Scherzl Phillip , Kaupp Michael , El Mofid Wassima , Mejia Chueca María del Carmen , Stich Michael , Ispas Adriana , Bund Andreas 
Published: September 2023

This paper will present recent results from the authors’ labs on electroformed aluminum based composite films from room temperature chloroaluminate melts. Although the research field of aluminum electrodeposition has been very active, there are still numerous scientific and technical challenges to be addressed, such as minimization of the incorporation of impurities in the films.
This contribution will discuss the new process of composite electroplating [1,2] for the production of ultra power dense cathodes for lithium-ion batteries. Electrode foils consisting of an aluminum matrix with particles of different active materials have been prepared by composite electroforming. The aim is to reduce the number while improving the properties of electrode components for lithium ion batteries, that will finally promise very high-power densities and cell efficiencies for these batteries, e.g. by reducing internal resistances. Here we will discuss the design of the electroforming process, as well as the characterization of the battery cathodes.
[1] C. Erhardt, Ș. Sörgel, S. Meinhard, T. Sörgel, J. Power Sources 2015, 296, 70-77
[2] T. Sörgel, S. Meinhard, Ş. Sörgel, Film Composite Material, EP 3114721 B1, 2015
Fiber Based Devices for Sensing and Actuating Applications
Authors: Beregoi Mihaela , Evanghelidis Alexandru , Diculescu Victor , Botta Daciana , Matei Elena , Enculescu Ionut 
Published: September 2023

The importance of multifunctional smart medical devices increases constantly during the last decades, fuelled by socio - economic challenges such as population aging and high costs of the healthcare system. Consequently, numerous research teams are focused on developing such devices with multiple functionalities in terms of both diagnostic and therapeutical approaches.Wearables become ubiquitous since computing and communication devices got smaller and more powerful, new functions being constantly added to consumer products such as smart watches or fitness monitors. Physical or chemical parameters including pulse, blood pressure or oxygen saturation are easily measured. Employing complex architectures based on nanostructures and materials with tailored properties represents an important path in developing a new generation of wearable medical devices which may both monitor chemical parameters (sweat or blood composition) and deliver various therapies.
The present report focuses on describing such architectures with the potential of incorporating both health monitoring, transdermal drug delivery and other therapeutic functions in a relatively straightforward manner. As functional elements microscopic fibers are employed as both electrodes for electrochemical sensors, as microscopic heaters for the drug delivery function or, as building blocks for other specific functions. The fibers are fabricated using electrospinning or centrifugal/force spinning and functionalization (e.g. electrical conductivity) is achieved through physical and electrochemical deposition. Therefore, the fibers can be covered with thin metal layers and rendered conductive, oxidic or polymeric layers making them responsive to various stimuli. Heating is achieved in a straightforward manner through Joule effect and the use of a temperature responding hydrogel enables a controlled release of specific drugs while simultaneously improving epidermal permeation.
These fiber-based systems can be easily employed on cheap, biocompatible substrates such as paper or textile materials and therefore can be mass produced with reasonable costs leading to a new generation of medical devices with increased functionality.
(Invited) Poly(lactic acid)-Nanodiamond Composites for Electroanalytical Applications
Authors: Cieślik Mateusz , Formela Krzysztof , Banasiak Mariusz , Niedzialkowski Pawel , Bogdanowicz Robert , Ryl Jacek 
Published: September 2023

There has been an exponential increase in the popularity of 3D printing technology in the last few years, also in everyday life. Numerous applications are reported for poly(lactic acid) (PLA) based polymer composites with various conductive carbon fillers for electrochemical needs, such as sensors, batteries, water remediation, etc. The bulk of these reports is based on commercially available 3D printing filaments, with carbon black, graphene or carbon nanotubes as fillers. Regardless of good conductivity, these materials possess characteristics that are suboptimal for electrochemical applications, including charge transfer kinetics, stability to oxidation, electrolytic window, etc.
3D printouts offer versatility in terms of ease of cheap and on-demand fabrication of free-standing multielectrode setups e.g. by dual-extruder printing. However, to fully embrace their advantages enhancement of charge transfer kinetics by removing an excess of PLA and uncovering the nanofillers, is needed. Recently we have demonstrated laser ablation for locally sculptured effective modification of the electrochemical response of these materials.
There is a great focus on the development of new conductive filaments that exhibit better mechanical, electric, thermal, and electrochemical properties. We have evaluated for the first time various forms of conductive nanodiamonds (ND), i.e. detonation nanodiamonds and diamond-phase rich boron-doped carbon nanowalls, as fillers for PLA-based composites for 3D printing. The goal of the research was to investigate and thoroughly understand the interactions between composite components and those that affect the mechanical parameters and electrochemical characteristics of printed elements, studying how ND addition to PLA matrix affects material strength, rheology, and melting temperature. In particular, the enhancement of electrode kinetics and electrochemically available surface area by ND was revealed and discussed.

The authors acknowledge the financial support by The National Science Centre (Republic of Poland) SONATA BIS 2020/38/E/ST8/00409.
Mechanistic Changes with Applied Potential in Cu Fouling during Furfural Electrochemical Hydrogenation and Hydrogenolysis
Authors: May Andrew S. , Biddinger Elizabeth J. 
Published: September 2023

CO2 emissions are generated in the chemical industry by factors such as the generation of reactants, including hydrogen, as well as in heating of the reactors. Electrochemical methods can avoid the need for externally provided hydrogen by generating required protons in-situ from the electrolyte, and can be more easily coupled with renewable electricity than their thermocatalytic counterparts. Therefore, to assist in the mitigation of CO2 emissions, electrochemical processes can be used. Furfural is a biomass-derived platform molecule that can be electrochemically reacted to form several species of interest including fine chemicals and fuels. Furfuryl alcohol, the hydrogenation product, is one fine chemical of interest used to make furanic molds or resins. The hydrogenolysis product of furfural, 2-methylfuran, has been identified as a fuel additive. The electrochemical hydrogenation and hydrogenolysis over Cu catalysts in acidic media allows for the parallel production of furfuryl alcohol and 2-methylfuran. During the electrochemical hydrogenation and hydrogenolysis of furfural over Cu in acidic electrolyte, the Cu catalyst will become covered in carbonaceous material with use. This fouling changes with applied potential, with a polymeric material being formed at -560 mV RHE while at -700mV a non-polymeric carbonaceous material is formed on the Cu. In both cases, the fouling leads to deactivation of the catalyst. In this work, Cu metal foils were intentionally fouled to study the mechanisms that led to catalyst fouling to provide insights into possible mitigation techniques.
A semi batch reactor was used in which the Cu working electrode was recycled to further foul the catalyst. The catholyte had 200 mM furfural and 0.5 M H2SO4 in a 80:20 vol% water:acetonitrile co-solvent. The Cu electrode was recycled thrice with fresh electrolytes each time. After use at -560 mV RHE a polymer formed on the surface; FTIR of the fouled surface showed consistent spectra as poly(furfuryl alcohol). At -700 mV RHE, no polymer was found, however a carbonaceous layer was found. XPS was used to better distinguish between the carbonaceous fouling that occurred at different applied potentials.
LT-LiMn0.5Ni0.5O2: A Unique Co-Free Cathode for High Energy Li-Ion Cells
Authors: Shi Boyu , Gim Jihyeon , Li Linze , Wang Chongmin , Vu Anh , Croy Jason R , Thackeray Michael M , Lee Eungje 
Published: September 2023

Over the past decade, designing advanced, high energy density lithium-ion batteries has become necessary because of the increasing demand for electric vehicles and energy storage devices. Research efforts have focused largely on developing layered, Ni-rich cathode materials due to their high specific capacity. However, their structural and thermal instability and the relatively high cost of nickel raises a concern about their long-term viability.1 Developing next generation cathode materials, based on earth abundant elements such as manganese and iron, has therefore attracted much research interest.2

In the late 1990s, the Mn-based spinel cathode, LiMn2O4 (LMO), dominated the early development of Li-ion batteries for the electric vehicle market. The 3-D network of channels provided by the Mn2O4 spinel framework for Li+-ion diffusion channels enables a good rate performance. However, the operational capacity of Li1-xMn2O4 spinel cathodes in a lithium cell at ~4 V over the range 0<x£1 is limited by its low electrochemical capacity relative to layered cathodes. Although deep-discharging the cell at ~3 V allows the insertion of extra Li ions into the spinel framework (i.e., Li1+xMn2O4, 0£x£1), a rapid fade of capacity occurs as a result of a severe crystallographic (Jahn Teller) distortion, which prevents the use of the lower voltage reaction in commercial cells.
In this presentation, a novel LT-LiMn0.5Ni0.5O2 (LT-LMNO) cathode material with unique electrochemical properties will be reported, where LT refers to its low synthesis temperature (400 °C). In striking contrast to a layered electrode with the same composition, HT-LiMn0.5Ni0.5O2 (where HT = high temperature synthesis, ~850 °C), LT-LMNO has a composite configuration with structurally-integrated lithiated spinel- and layered-like components.3,
4 It provides an electrochemical capacity almost twice that of LMO. This discovery provides a new strategy for developing next-generation. Mn-rich spinel-based cathodes.
References

Bianchini, M.; Roca-Ayats, M.; Hartmann, P.; Brezesinski, T.; Janek, J., There and Back Again - The Journey of LiNiO2 as a Cathode Active Material. Chem. Int. Ed. Engl.
2019,
58 (31), 10434-10458.

Croy, J. R.; Gutierrez, A.; He, M.; Yonemoto, B. T.; Lee, E.; Thackeray, M. M., Development of Manganese-rich Cathodes as Alternatives to Nickel-rich Chemistries. Power Sources
2019,
434, 226706.

Thackeray, M. M.; Lee, E.; Shi, B.; Croy, J. R., Review: From LiMn2O4 to Partially-Disordered Li2MnNiO4: The Evolution of Lithiated-Spinel Cathodes for Li-Ion Batteries. Electrochem. Soc.
2022,
169 (2), 020535.

Shi, B.; Gim, J.; Li, L.; Wang, C.; Vu, A.; Croy, J. R.; Thackeray, M. M.; Lee, E., LT-LiMn5Ni0.5O2: A Unique Co-free Cathode for High Energy Li-ion Cells. Chem. Comm.
2021,
57 (84), 11009-11012.
(Invited) Open-Source Software and Open Data to Accelerate the Development of Energy Storage Systems
Authors: Preger Yuliya , De Angelis Valerio 
Published: September 2023

Many of the products we use in our daily lives, ranging from smartphones to web servers to cars, are based on a significant amount of open-source software. This approach has enabled standardization and rapid innovation in the tech industry. However, energy storage systems are typically not standardized in terms of components or software, leading to replicated development efforts across companies and significant balance of system costs. This talk will explore various efforts to publicly release data, software, and hardware to accelerate the development of energy storage systems. Examples include Battery Archive, the first public site for sharing battery data across institutions; control software for hybrid-batteries, available on GitHub; and a standard rack design for operating new batteries. These efforts will be described in the context of the need for physics-model driven battery operation and control of different types of batteries.
Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.
Modeling and Analysis of Temperature-Dependent Capacity Degradation in Large Format Lithium-Ion Batteries
Authors: Mishra Lubhani , Subramaniam Akshay , Garrick Taylor R. , Subramanian Venkat R. 
Published: September 2023

The large-format lithium-ion batteries, widely used for electric vehicle applications, are generally characterized by spatial non-uniformities in temperature. The presence of thermal gradients and temperature-dependence of cell parameters are responsible for non-uniform degradation within the battery that leads to poor performance of the battery packs and also poses safety risks. In this work, we aim to develop a detailed physics-based simulation framework to model non-uniform, temperature-dependent capacity degradation within these large format batteries based on the classical pseudo two-dimensional (p2D) battery model. The electrochemical model will be coupled with degradation mechanisms to capture solid-electrolyte interface layer growth, reversible lithium plating, structural disintegration, and volume change within the electrodes on the cell level signatures and usable capacity over charge/discharge cycles. The effects of temperature inhomogeneities will be accounted in the multi-cell simulations at different operating temperatures for individual cells with dynamic currents and temperature and concentration dependent battery parameters as the model inputs.
Overall, the primary focus of this study is to capture the effect of spatial temperature variation on battery capacity over cycles and help identify an improved design for the battery module. The model is implemented in an efficient equation-based form for the p2D model and degradation mechanisms with dynamic cell inputs using the mathematical modules in the finite element based solver, COMSOL Multiphysics. This approach enables an easier model development and analysis of the detailed physics and allows an easier implementation of any additional side reaction. The relative contributions of various fade modes have also been compared to understand their competitive interplay over cell cycles. The model predictions are validated with the available experimental data and in-house codes for each case. We believe that this simple yet detailed model can be further developed to be computationally feasible for adoption and implementation in a battery thermal management system.
Understanding Characteristic Electrochemical Impedance Spectra of Redox Flow Batteries with Multiphysics Modelling
Authors: Alhammadi Ayoob , Fetyan Abdulmonem , Susantyoko Rahmat Agung , Bamgbopa Musbaudeen O. 
Published: September 2023

Abstract

Electrochemical impedance spectroscopy (EIS) is a non-destructive technique for analyzing electrochemical systems (such as redox flow batteries – RFBs). Battery researchers widely adopt equivalent circuit models (ECMs) to analyze EIS spectra of RFBs and attempt to use the circuit to deduce prevalent transport and kinetic properties [1]. Straightforward adoption of these ECMs suffers from some setbacks which need rectifying. There is a major issue of poor or inconsistent physical interpretation of the different circuit elements. ECMs of batteries are commonly used in real-time applications due to their simplicity and importance for determining properties like state-of-charge. However, prediction performance in low state-of-charge areas has to be improved [2], which reinforces the need to relate recorded spectra to the physical properties of cell components.
Using an experimentally validated full Multiphysics model of single-cell vanadium RFB analyzed in the frequency domain, we approach understanding the EIS spectra characteristics based on the influence of cell features and operating parameters. To achieve our analyses, we investigate the effects of different cell properties and operating parameters on the Multiphysics model produced EIS spectra and the resulting ECM circuit element parameters that fit the spectra. Five different values for each cell property or operating parameter are considered for the following components:

Electrode: Electrical conductivity, porosity vis a vie specific surface area and hydraulic permeability, reaction rate constants for the positive and negative sides.

Membrane: Ionic conductivity, fixed charge concentration, porosity, and hydraulic permeability.

Electrolyte: State-of-charge, Composition vis a vie bulk diffusion coefficients of species, density, and viscosity.

References

[1] A.K. Tripathi, D. Choudhury, M.E. Joy, M.J.J.o.T.E.S. Neergat, Electrochemical Impedance Spectroscopic Investigation of Vanadium Redox Flow Battery, 169 (2022) 050513.
[2] Y.A. Gandomi, D. Aaron, T. Zawodzinski, M.J.J.o.T.E.S. Mench, In situ potential distribution measurement and validated model for all-vanadium redox flow battery, 163 (2015) A5188.
Stress-Strain and Resistance-Strain Hysteresis in Single-Wall Carbon Nanotube Films for Stretchable Battery Electrodes
Authors: Mohanty Shaswat , Kuznetsov Oleg A , Harutyunyan Avetik R. , Cai Wei 
Published: September 2023

The need to protect the vulnerable and limited resources that are naturally available while meeting the growing energy demand of the world makes the sustainable development of renewable energy of paramount importance. To address these needs, a new type of battery electrode has been developed at Honda Research Institute (HRI), based on free-standing single-wall carbon nanotube (SWNT) films containing active battery materials as dispersed nanoparticles. The SWNT films provide both mechanical support and electrical conductivity, removing the need for metal electrodes (increasing the energy density of the battery) and binder materials (making the process environmentally friendly).
Under cyclic strain, the SWNT-based electrodes show hysteretic behaviors in both stress-strain and electrical resistance-strain relations. The electrical resistance-strain behavior shows a different trend from the previously observed behavior on 2D SWNT films (on elastic substrate). We hypothesize that this change can be attributed to the differences in the SWNT network structures in the 2D and 3D films. To understand the microscopic origin of the hysteresis, we performed coarse-grained molecular statics (CGMS) simulations of the SWNT film. The simulations show that the intrinsic Van der Waals interaction between SWNTs is responsible for the observed robust mechanical properties of the electrodes. In addition, our study also reveals that the sparsity of the 3D morphology results in the current being carried across the simulation box only by a few paths. As a consequence, the resistance hysteresis is governed entirely by the change in the power-carrying capacity of the network due to the breaking and formation of contacts between the SWNTs during loading-unloading. The qualitative nature of the resistance-strain hysteresis can thus be attributed to the rapid formation of inter-nanotube contacts, as the nanotube bundles (elongated by initial loading) buckle during unloading.
(Invited) Model-Predictive Design of Low Pt Loaded PEMFC Catalyst Layers
Authors: DeCaluwe Steven C. , Randall Corey R 
Published: September 2023

Proton exchange membrane fuel cells (PEMFCs) are a promising means to decarbonize the global vehicle fleet, but commercialization is limited by costly Pt catalysts, among other challenges. PEMFC designs with low Pt loading typically suffer anomalous performance losses. Previous studies have agreed that poor device performance is linked to complex physiochemical processes in the cathode catalyst layer (CL) [1]. More specifically, poor performance with low Pt-loading is attributed to sluggish proton and/or oxygen transport through the nano-thin Nafion ionomer in the CL. Previous studies have also identified that the properties of the Nafion thin films in the CL vary from those previously measured for thicker membranes. However, research has not yet definitively connected CL polymer properties with PEMFC limitations in low Pt-loaded cells, nor found a means to address the limitations for low cost, higher-performance PEMFCs.
In this presentation, we will describe efforts to quantify structure-property relationships for thin-film Nafion and incorporate these relationships into PEMFC numerical simulations to identify advantageous PEMFC catalyst layer designs. We model nm-scale transport in thin-film Nafion to develop structure-property relationships for thin-film Nafion, based on in situ neutron reflectometry [2], and conductivity measurements [3] on thin film Nafion. These result in a model that calculates the conductivity as a function of temperature, local water uptake, film thickness, and underlying substrate (Pt or carbon). Incorporating these structure-property models into a continuum-scale PEMFC cathode half-cell model to locally resolve proton conductivity and O2 diffusion improves model fits to PEMFC data with varying Pt loading [4]. The fits provide new insights into the coupling between kinetic, mass transport, and Ohmic losses in low-Pt-loaded PEMFC cathodes and show that Ohmic losses in thin film Nafion play a key limiting role in low-Pt loaded cells. We conclude with a parametric study of PEMFC CL design parameters with low Pt loading. Incorporating multi-scale modelling of Nafion transport processes enhances the predictive model capabilities and unlocks new insights into CL design. We will present a detailed analysis of how best to manage coupled limiting phenomena in PEM fuel cells, and identify functionally graded catalyst layer designs that could significantly improve PEMFC power density with low Pt loading [4].

Weber, A. and Kusoglu, A. Mater. Chem. A.
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DeCaluwe, S.C. et al. Nano Energy
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2014. DOI: 10.1149/2.0571414jes

Randall, C.R. and DeCaluwe, S.C., Electrochem. Soc.
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