bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of Manufacturing Strategies for Advanced Silicon/Graphite Composite Anodes for Lithium-Ion Cells
Authors: Meyer Alexandra , Lin Jin , Pfleging Wilhelm 
Published: July 2022

Due to the advancing electrification in mobility, the production capacity of cells with high power and energy density needs to be increased, while a reduction in production costs is to be aspired. For the gravimetric energy density, 350 to 400 Wh/kg are defined as a goal from the European Union for the so-called cell generation 3b, which is to be achieved by approximately 2025. For this type of next generation lithium-ion batteries volumetric energy densities of about 750 Wh/L are targeted. For this purpose, novel anode materials with increased specific capacities have to be applied. Silicon is a promising candidate for this application, since it has a theoretical specific capacity of 3579 mAh/g at room temperature, which is one order of magnitude higher compared to the state-of-the-art graphite anode material (372 mAh/g). While silicon is lithiated, a volume change of about 280 % can be observed, which reduces the mechanical integrity of the electrodes and leads to a strong decrease in capacity and therefore a short cell lifetime. To overcome this issue, several approaches are pursued, whereof the most promising candidate to fulfil the requirements of scalability for industrial applications is the utilization of silicon nanoparticles. The establishment of a water-based slurry preparation process for silicon/graphite composite anodes with a fine dispersion of the silicon nanoparticles is crucial. Several manufacturing routes are investigated with special focus on the scalability, processability, spatial distribution of the binder, silicon and graphite active material as well as on the performance during galvanostatic cycling.
Fur this purpose, different binder configurations are applied, where the amount as well as the degree of polymerization and substitution of sodium carboxymethylcellulose (Na-CMC) and the content of styrene butadiene rubber (SBR) are of interest. Additionally, the destruction of the silicon nanoparticle agglomerates, which can only be achieved with high intensity impact realized by a ball mill, is separated from the whole mixing process. Therefore, the destruction of the graphite active material by the ball milling process is reduced. A dry mixing process of the graphite and the conductive carbon black is investigated as well.
The implementation of additional porosity with a laser patterning process was also proven to be effective to increase the cell lifetime of silicon/graphite composite electrodes. Therefore, an ultra-short pulsed laser source is applied to generate line patterns in the composite material. This significantly improves the wetting of the electrode with liquid electrolyte, but also reduces the mechanical stress inside the electrode due to the increased artificial porosity available for volume expansion which finally leads to an immense impact on cell lifetime.
(Digital Presentation) An Electrochemical-Thermal Coupled Thermal Runaway Multiphysics Model for Lithium Polymer Battery
Authors: Domalanta Marcel Roy , del Rosario Julie Anne 
Published: July 2022

With the rising energy demand, safe and efficient energy storage technologies have been increasing in importance. Lithium-ion batteries (LIBs) have been dynamically prevalent as energy storage and power sources for various electrical systems, from communication purposes to transportation applications. Lithium Polymer (LiPo) batteries are a subcategory of LIBs that use a solid or semisolid (gel) polymer to act as both a separator and electrolyte for the system. Compared to a conventional liquid electrolyte, gel polymer electrolyte is more thermally and electrochemically stable and relatively safer. Various companies produce a vast number of different LiPo batteries; however, a limited number of studies have been conducted concerning modeling and simulation. Besides exploring new materials for performance enhancement, engineering a reliable model is equally vital to exploit and optimize existing LiPo batteries' potential.
In this study, a multiphysics model for a mobile Lithium Cobalt Oxide (LCO)-graphite- Poly(vinylidene fluoride - hexafluoropropylene) (PVdF-HFP) pouch LiPo battery was established to characterize the battery's behavior. The pseudo-2-dimensional electrochemical model and 3D thermal-thermal runaway model were coupled with temperature and heat generation variables. Working voltage and temperature during galvanostatic discharge were examined for the electrochemical-thermal model. In contrast, temperature as a function of time during an oven test was analyzed for thermal runaway models. The electrochemical-thermal and thermal runaway behavior was investigated using the simulation model, and validations were compared with experimental data. Overall, the models can be employed as a design tool to evaluate the component design and estimate the system performance of LiPo batteries for commercial applications.
KEYWORDS: Multiphysics model, Lithium-polymer battery, Thermal runaway
Ultra-Flexible Organic Electronics for Biomedical Application
Authors: Yokota Tomoyuki , Someya Takao 
Published: July 2022

Since biometric sensing using light can noninvasively measure biological information from the outside of the body, various information can be obtained from dynamic things such as blood oxygen concentration and heart rate to static things such as fingerprints and veins. Among them, a flexible organic imager can be attracted to the body, so it is used as wearable electronics. Utilizing its flexibility, imagers capable of imaging fingerprints and veins, pulses that can be directly applied to the skin, blood oximeters, muscle contraction sensors, etc. have been reported.
In this study, we have developed ultra-flexible and lightweight highly efficient, ultra-flexible, air-stable, three-color, polymer light-emitting diodes (PLEDs) The total thickness of the devices, including the substrate and encapsulation layer, is only three micrometers, which is one order of magnitude thinner than the epidermal layer of the human skin. Due to the very thin substrate and neutral position, our device shows the highly flexibility and conformability. The PLEDs are directly laminated on the surface of skin and are used as indicators/displays. And also, we have developed a sheet-type image sensor that enables high-resolution and high-speed reading. Our conformable imager has pixel pitches as small as 50 µm, with resolutions of up to 508 dpi. Using our conformable imager, we succeed to take a high-resolution image of fingerprints and veins used for biometric authentication.
Probing the Density of States of Organic and Perovskite Semiconductors By Energy-Resolved Electrochemical Impedance Spectroscopy
Authors: van Geel Wietse Fransiscus Michel , Janssen René A.J. 
Published: July 2022

The performance of thin-film photovoltaic cells is closely related to the energy alignment of the absorber layers and charge collection layers used for constructing the device and is further influenced by the presence of energetic disorder and defects in the photoactive material. This especially holds for novel organic and perovskite semiconductors, where film processing conditions, such as solvents used, thermal or solvent vapor annealing, and aging of the active materials are known to have an influence on the device performance. Knowledge about the energy of the relevant frontier orbitals such as HOMO and LUMO for organic semiconductors,[1]and valence (VB) and conduction (CB) bands for perovskites is key to designing more efficient materials. In addition, the energetic disorder, such as broadening of the band edges and states that appear in the bandgap are strongly affecting solar cell efficiencies. Knowledge about the density of states close to and inside the bandgap is very relevant in this respect.
In this work energy-resolved electrochemical impedance spectroscopy (ER-EIS) as advanced by Nádazdyet al.[2]is applied on various organic bulk-heterojunction and lead-halide perovskite semiconductors to map their energy landscape around and in the band gap. ER-EIS provides a direct electrochemical measurement of the HOMO/VB and LUMO/CB energies, but also resolves band tails and sub-bandgap states with a resolution of up to six orders of magnitude. This enables detection of subtle but important effects that are the consequence of layer processing conditions such as spin coat parameters, solvent combinations, thermal annealing time and temperature, and atmospheric exposure (vacuum, inert, air).
We will present experiments that aim to quantify relative changes in the energy landscape due to varying processing conditions and assign physical meaning to these changes (e.g. morphology and (un)intentional doping). The systems under investigation are well-known donor-acceptor bulk-heterojunction (e.g., P3HT:PCBM and PM6:Y6) and triple-cation mixed-halide perovskites (CsFAMA). The results shed new light on largely unknown defect states in the bandgap of solution-processed semiconductors.
[1] R. E. M. Willems, C. H. L. Weijtens, X. de Vries, R. Coehoorn, and R. A. J. Janssen, Relating frontier orbital energies from voltammetry and photoelectron spectroscopy to the open-circuit voltage of organic solar cells, Adv. Energy Mater.
2019, 9, 1803677.
[2] V. Nádazdy, F. Schauer, and K. Gmucová, Energy resolved electrochemical impedance spectroscopy for electronic structure mapping in organic semiconductors, Appl. Phys. Lett.
2014,
105, 142109.
Optimal Geometrical Configuration of Metal Cations in Single Spinel CoxRh3-XO4 Nanoparticles to Promote Oxygen Evolution Reaction
Authors: Kwon Taehui , Hyerim Woo , Jin Dasol , Kim Myung Hwa , Lee Youngmi 
Published: July 2022

Hydrogen (H2), which is widely considered as an ideal energy carrier to alternate traditional fossil fuels, can be produced by water electrolysis. Water electrolysis is a simple and promising technology due to its eco-friendly advantages. However, an anodic oxygen evolution reaction (OER) in water splitting devices provokes significant energy loss owing to its sluggish reaction kinetics. Therefore, designing advanced OER electrocatalysts is a very popular topic, among which spinel oxides have been widely studied for OER.
Hence, in this work, we construct single spinel of various Co
x
Rh3-x
O4 with 0.95 ≤ x ≤ 2.05 nanoparticles (NPs) as an outstanding OER electrocatalysts in alkaline condition. First, rhodium hydroxide and cobalt hydroxide were precipitated through acid-base reaction between dilute 0.1M NaOH and metal precursors solutions, then purified metal hydroxides was synthesized into Co
x
Rh3-x
O4 NPs via thermal annealing process. The morphology of Co
x
Rh3-x
O4 NPs was measured by field-emission scanning electron microscopy (FE-SEM) and high-resolution transmission electron microscopy (HR-TEM). The physical properties of Co
x
Rh3-x
O4 NPs were analyzed by X-ray diffraction (XRD) and X-ray photoelectron spectroscopy (XPS). The electrocatalytic activity and stability of Co
x
Rh3-x
O4 NPs are studied toward OER in Ar-saturated 1 M NaOH aqueous solution with rotating disk electrode (RDE) voltammetry. Electrochemical impedance spectroscopy (EIS) was carried out to further investigate the electrochemical behaviors of the Co
x
Rh3-x
O4 NPs. Conclusively, we have identified which atomic ratio and configuration of Co and Rh cations can produce optimal synergistic effect toward OER. This research was supported by Basic Science Research Program through the National Research Foundation of Korea (NRF) funded by the Ministry of Science, ICT& Future Planning (NRF-2020R1A2B5B01001984).
Improvements in Performance and Cost Reduction of Large-Scale Rechargeable Zinc|Manganese Dioxide Batteries and a Future Roadmap Driven through Real World Applications
Authors: Yadav Gautam , Huang Jinchao , Weiner Meir , Yang Shinju , Vitale Kristen , Rahman Sanbir , Keane Kevin , Banerjee Sanjoy 
Published: July 2022

Zinc|Manganese Dioxide (Zn|MnO2) are widely available as primary batteries for use in small-scale consumer electronics because of its low cost and high energy density. The last decade has seen a resurgence in research to make this chemistry rechargeable by materials engineering, additives and experimenting with various electrolytes. These important contributions have showed that Zn|MnO2 has all the prerequisites to be a post-lithium solution for grid-scale storage.
At Urban Electric Power, we have been commercializing proton-insertion Zn|MnO2 batteries in cylindrical and prismatic form factors between 70 to 140Ah nameplate capacity. These batteries contain improved materials and electrode designs with improved utilizations of the cathode and anode theoretical capacity. Both the cathode and anode can achieve 40 to 60% of their theoretical capacity, which is currently the best in alkaline electrolytes and scaled-up cells. These improvements not only reflect the performance but also the manufacturability of cells on a large scale. In this talk, we will present the methodological approach we pursued to achieve these performance metrics and reduce the cost to <$80/kWh. We also cycled these cells according to various protocols that represent real world applications. For example, we found that the newly improved Zn|MnO2 cells can achieve >6 years of performance for solar microgrid applications, which is better than lead acid batteries, the current battery of choice. We have also manufactured gelled Zn|MnO2 batteries that can be considered as “non-spillable” and thus, “non-hazardous” according to transportation regulations. These non-spillable cells manufacturing process and performance will also be presented in the talk. The talk will also expand on the future generations of Zn|MnO2 that are currently under development at Urban Electric Power like the conversion battery which access the complete 2nd electron capacity of the electrodes and the high voltage (>2.5V) battery. These batteries expand the application space of Zn|MnO2 batteries which make it a viable contender for post lithium-ion batteries.
Techno-Economic Comparison of Different Organic Flow Batteries Based on Experimental Data Versus a Vanadium Flow Battery
Authors: Gerlach Daniel , Trupp Sabine , Noack Jens , Le Boulch Chloé , Pinkwart Karsten , Bischof Katharina , Roznyatovskaya Nataliya , Skyllas-Kazacos Maria 
Published: July 2022

The challenges of climate change are becoming more and more relevant to society. This also increases the need for a wider use of renewable energies, which, due to their fluctuating availability, also increases the need for the possibility of intermediate storage in other forms of energy. Flow batteries (FB) store electrical energy chemically in electrolytes and are scalable in terms of power and energy. This advantage can best be used in stationary applications; flow batteries are one of the most promising technologies here. The capacity of the batteries is largely determined by the active species of their electrolytes which is why this is mostly focused. The success of a technology is primarily related to economic factors. For this reason, it is important to compare the costs of different technologies. All important influencing factors must be taken into account for the different technologies and related to the technical properties such as performance and efficiency. Nearly no results are available for a cost assessment of organic flow batteries, but the large spectrum of organic active species makes it increasingly worth investigating.
Therefore, an existing techno-economic model [[1]] based on a 10 kW / 120 kWh vanadium flow battery (VFB) was optimized and a laboratory scale FB for further research was developed. With this laboratory scale FB, a VFB with electrolytes with different molarities was first examined in 3 likewise standardized test cycles, which contain both the behavior at different electrical currents and aging tests. The same tests were then carried out with aqueous organic FBs (AOFB), with MV / 4-HO-TEMPO and AQS / BQDS in different molarities being selected as RedOx pairs. Those AOFBs were analyzed and compared with the results of the lab-scale VFB. In addition to the most examined parameters such as energy density and power density, temperature and cell resistance were examined, too. A system for evaluating the toxicity of electrolytes was also developed in order to be able to include an initial assessment of the social acceptance of such an FB in the evaluation. In this lecture the first results of this techno-economic approach will be presented. In addition, a rating scale for assessing toxicity is also presented.

[1] J. Noack, L. Wietschel, N. Roznyatovskaya, K. Pinkwart, and J. Tübke, Energies, 9, 627 (2016).

Figure 1
(Invited) Low-Temperature Molten Sodium Batteries for Large-Scale Storage: Fundamental Studies of Metal Halide Catholyte and Cathode Materials
Authors: Maraschky Adam M. , Lee Rose Y. , Percival Stephen J. , Gross Martha M. , Peretti Amanda S. , Spoerke Erik D. , Small Leo J. 
Published: July 2022

Low-cost, long-duration energy storage is a vital resource needed for a robust electric grid powered by renewables. Low-temperature (<130 °C) molten sodium batteries (MNaBs) with NaI-metal halide molten salt catholytes have been developed to meet this need. This battery chemistry avoids the safety concerns caused by metal dendrites and flammable organic solvents found in Li-metal or Li-ion batteries. It also offers higher voltages and drastically reduces the expensive high temperature material requirements compared to other MNaBs, such as sodium-nickel chloride (ZEBRA) batteries, which operate near 300 °C. Among the key challenges to wide-spread utilization of these emerging molten Na batteries for large-scale, long-duration applications is catholyte stability and performance at high current densities while cycling at temperatures just above the melting point of Na (98 °C). To optimize the catholyte, we have examined a variety of electroactive molten salt chemistries, including mixtures of NaI with AlCl3, AlBr3, and GaCl3. To better understand the catholyte properties during cycling, we have performed electrochemical kinetics studies and mathematical modeling of the iodide-triiodide speciation. Results reveal a dependence between catholyte speciation and usable capacity and current densities for the given catholyte compositions. Additional experiments, including cyclic voltammetry and chronoamperometry, probe the interactions between the cathode current collector and the molten salts, revealing potential impacts on electrochemical kinetics and stability during cycling. Insights from these fundamental studies serve as the foundation for the informed design of high-performance cathodes in new scalable molten sodium batteries.
Sandia National Laboratories is a multi-mission laboratory managed and operated by National Technology and 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.
Beyond the Norm: Synthesis and Electrochemical Study of High Concentrated NaPF6 Electrolytes
Authors: Ould Darren Michael Charles , Menkin Svetlana , O'Keefe Christopher A. , Coowar Fazlil , Barker Jeremy , Grey Clare P. , Wright Dominic S. 
Published: July 2022

The global drive towards decarbonisation means there is increasing need for large-scale energy storage, which has focussed research efforts into sodium-ion batteries (SIBs).1 SIBs are well suited to grid-storage applications due to the wide abundance, even distribution and low cost of sodium deposits.2 This contrasts to the better known and understood lithium-ion batteries (LIBs), where lithium is much less abundant. Additionally, the use of sodium has other sustainability implications, which are desirable for grid-scale applications, as it allows cobalt-free cathodes to be used and the copper current collectors at the anode to be replaced by aluminium.
Currently SIBs use NaPF6 as the chosen electrolyte salt,3 however commercial supplies of this are often of low-grade and contain NaF (a hydrolysis product of NaPF6), making it unsuitable for battery use.4 Alternatively, pre-made electrolyte solutions of NaPF6 may be purchased, but the cost can be prohibitive and limits solvent exploration.
Herein, this talk will detail the synthesis of high-grade NaPF6 from the addition of NH4PF6 with sodium metal in THF solvent. By performing the reaction under anhydrous conditions, NaPF6 can be prepared in the absence of hydrolysis products (NaF), as confirmed by solid-state NMR spectroscopy and powder X-ray diffraction. With high-grade NaPF6 in hand, we have looked at the effects of using higher concentration electrolyte solutions of NaPF6 (>1 M) in ethylene carbonate:diethyl carbonate (EC:DEC 1:1 v/v) solvent. This showed the degradation dynamics of sodium metal-electrolyte interface are different for more concentrated (>1 M) electrolytes, although there is a trade-off with bulk conductivity compared to 1 M solutions. Lastly, the performance of the synthesized NaPF6 has been tested in commercial 2- and 3-electrode pouch cells by Faradion Ltd, UK.5

References:
1 D. Kundu, E. Talaie, V. Duffort and L. F. Nazar, Angew. Chem. Int. Ed., 2015, 54, 3431–3448.
2 C. Vaalma, D. Buchholz, M. Weil and S. Passerini, Nat. Rev. Mater., 2018, 3, 18013.
3 A. Ponrouch, D. Monti, A. Boschin, B. Steen, P. Johansson and M. R. Palacín, J. Mater. Chem. A, 2015, 3, 22–42.
4 A. Bhide, J. Hofmann, A. Katharina Dürr, J. Janek and P. Adelhelm, Phys. Chem. Chem. Phys., 2014, 16, 1987–1998.
5 D. M. C. Ould, S. Menkin, C. A. O'Keefe, F. Coowar, J. Barker, Clare P. Grey and D. S. Wright, Angew. Chem. Int. Ed., 2021, 60, 24882–24887.

Figure 1