bluuebunny/crossref_metadata_2025 huggingface dataset:
(Invited) Methods for the Parameterisation of Battery Thermal Models
Authors: White Gavin , Hales Alastair , Offer Gregory James , Patel Yatish
Published: February 2024

Thermal properties are fundamental parameters in every battery cell model. They govern how heat moves through the cell or dissipates once it has been produced. Modelling the movement of heat in batteries is essential for safety and also for accurate predictions of temperature. Electrical/electrochemical models of the cell are highly sensitive to temperature making accurate thermal properties an essential requirement. However, measuring these properties is extremely difficult due to the complex structure inside a cell. Previous measurement methods suffered from fundamental flaws and often battery thermal models are either over simplified or overly complex. This presentation will present the challenges faced before novel methods are presented which address this. This includes a novel method developed for measuring thermal conductivity which uses state-of-the-art heat flux sensors to reduce errors from up to 50% down to 5.6%. These novel methods represent the future for thermal parameterisation of lithium-ion batteries which will lead to accurate electrical/electrochemical models and improved thermal safety.

Figure 1
Non-Ambient in-Operando X-Ray Diffraction Study of Li-Ion Batteries on Laboratory Diffractometers
Authors: Ding Lei , Kumar Anil , Sommariva Marco , Tiwari Umesh , Gateshki Milen , Lee Daniel , Bao Zhaohui , Degen Thomas
Published: February 2024

A long outstanding issue when pushing the performance of batteries is the degradation during cycling. Understanding the pertinent mechanisms becomes increasingly significant to tackle them and consequently facilitate the discovery of high-performance batteries that meet the requirements for multiple applications. In operando X-ray diffraction (XRD) is a non-destructive technique which can be used to study the non-equilibrium states of a complete battery cell during cycling by essentially tracing the structure changes. In this talk, we will showcase how high-quality XRD data of Li-ion batteries can be quickly collected and analysed during charge-discharge cycles in transmission geometry on the laboratory diffractometer equipped with an X-ray tube with Ag or Mo anode and an area detector optimized for high energy X-rays. Temperature effects on the performance and life of batteries will be discussed based on the temperature-dependent XRD data collected during the charge-discharge cycling of batteries. Quantification of the structural changes from both cathode and anode materials can be done to essentially understand the structure-property relationship of a complete battery cell.
Plasmonic Based Fibre Optic Sensors as an in-Situ Battery Diagnostic Technique
Authors: Gardner Christopher , Langhammer Elin , Fleming Joe , Roberts Alexander John , Bhagat Rohit , Amietszajew Tazdin
Published: February 2024

Plasmonic based fibre optic sensing is a technique that enables measurements of the refractive index of an analyte via a metal coated fibre optic sensor. Fibre optics are well suited to take measurements from difficult to access or remote locations, and the technique of plasmonic based sensing has been used widely in biotechnology research. In this research we demonstrate the use of the plasmonic sensing technology as a diagnostics tool in lithium-ion batteries, a novel use of this sensing technology.

Plasmonic based fibre optic sensors are placed inside li-ion pouch cells, allowing access to information from directly inside the system. Our research has shown multiple promising features, including a correlation of the optical signal with cell charge and discharge, detection of cell events such as phase transitions, and crucially that the presence of the sensor has negligible impact on the cell performance. This opens up the possibility of a new battery diagnostic technique, with the potential to aid cell research and characterisation, battery usage optimisation and early detection of cell failure modes such as lithium plating.

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(Battery Division Student Research Award Sponsored by Mercedes-Benz Research & Development) Rationalizing Fast Lithium-ion Diffusion in Inorganic Lithium Superionic Conductors
Authors: Jun KyuJung , Ceder Gerbrand
Published: February 2024

All-solid-state batteries are gaining attention due to the potential advantage that solid electrolytes provide in terms of safety and energy density. Understanding the mechanism of fast lithium-ion diffusion in inorganic materials has become one of the key challenges in materials science. Among various factors that affect lithium mobility, the topology of the crystal structure strongly dictates which materials can accommodate fast lithium-ion motion. Despite this, the intrinsic mechanism that connects the lithium-ion diffusion to the structural feature of the crystal structure and motion of the non-diffusing framework remains unclear, hindering the rational design of novel fast-conducting solid electrolytes.

This talk focuses on the fundamental understanding of the structure-property relationship of lithium-ionic conductivities. We first discuss the structural factors governing fast lithium-ion diffusion in oxide materials. We find that both the topology of the lithium-ion diffusion network as well as the connectivity of the non-diffusing framework strongly affect lithium-ions diffusion in oxide materials. Structural features that allow lithium superionic conductivity in oxide materials are identified, which led to the discovery of 16 novel fast lithium-ion conducting frameworks.

In the second part of the talk, we present our statistical framework for understanding the correlation between anion-group rotational motion and lithium-ion translational motion. Using event-detection algorithms on long ab-initio molecular dynamics trajectories, we detect and differentiate various types of rotational motion of anion groups. This allows us to obtain a statistically rigorous understanding of how each type of anion group rotational motion affects lithium-ion diffusion events. These fundamental understandings provide design guidelines towards the development of fast-diffusing inorganic materials optimal for all-solid-state batteries.
(Battery Division Technology Award) An Odyssey Through the Uncharted Waters of Post Lithium-Ion Batteries
Authors: Muldoon John
Published: February 2024

Advanced energy storage technologies such as lithium-ion batteries have enabled the development of ubiquitous portable electronic devices and are critical to the development and widespread adoption of practical electric vehicles. While lithium-ion batteries represent the most advanced energy storage technology currently available commercially, the desire for significant improvement in energy density and cost has led to a strong interest in so-called “beyond lithium-ion” batteries such as sodium, lithium-air, lithium-sulfur, multivalent batteries and solid-state batteries. In this talk, I will guide you on an odyssey toward post li-ion batteries. In particular, we will travel through the peaks and valleys of multivalent1-4, lithium-sulfur5-8, and all-solid-state batteries9-12.

References:

Kim, H. S.; Arthur, T. S.; Allred, G. D.; Zajicek, J.; Newman, J. G.; Rodnyansky, A. E.; Oliver, A. G.; Boggess, W. C.; Muldoon, J. Nat. Commun.
2011, 2, 427.

Muldoon, J.; B. Bucur, C.; G. Oliver, A.; Sugimoto, T.; Matsui, M.; Soo Kim, H.; D. Allred, G.; Zajicek, J.; Kotani, Y. Energy & Environmental Science
2012, 5 (3), 5941–5950.

Muldoon, J.; Bucur, C. B.; Gregory, T. Chem. Rev.
2014, 114 (23), 11683–11720.

Bonnick, P.; Muldoon, J. Advanced Functional Materials
2020, 30 (21), 1910510.

Bucur, C. B.; Muldoon, J.; Lita, A. Energy Environ. Sci.
2016, 9 (3), 992–998.

Bonnick, P.; Nagai, E.; Muldoon, J. Electrochem. Soc.
2018, 165 (1), A600.

Bonnick, P.; Muldoon, J. Energy Environ. Sci.
2020, 13 (12), 4808–4833.

Osada, N.; Bucur, C. B.; Aso, H.; Muldoon, J. Energy Environ. Sci.
2016, 9 (5), 1668–1673.

Bonnick, P.; Niitani, K.; Nose, M.; Suto, K.; S. Arthur, T.; Muldoon, J. Mater. Chem. A
2019, 7 (42), 24173–24179.

Bonnick, P.; Muldoon, J. Energy Environ. Sci.
2022, 15, 1840-1860.

Muldoon, J.; Bucur, C. B.; Boaretto, N.; Gregory, T.; Di Noto, V. Polym. Rev.
2015, 55 (2), 208–246.

Suto, K.; Bonnick, P.; Nagai, E.; Niitani, K.; Arthur, T. S.; Muldoon, J. Mater. Chem. A
2018, 6 (43), 21261–21265.
(Battery Division Research Award) Advanced Characterization of Electrochemical Interfaces and Systems for Next-Generation Batteries
Authors: Meng Shirley
Published: February 2024

Lithium (Li) metal has been considered as an ideal anode for high-energy rechargeable Li batteries while Li nucleation and growth at the nano scale remains mysterious as to achieving reversible stripping and deposition. A few decades of research have been dedicated to this topic and we have seen breakthroughs in novel electrolytes in the last few years, where the efficiency of lithium deposition is exceeding 99.6%. Here, cryogenic-transmission electron microscopy (Cryo-TEM/Cryo-FIB) was used to reveal the evolving nanostructure of Li deposits at various transient states in the nucleation and growth process, in which a disorder-order phase transition was observed as a function of current density and deposition time. More importantly, the complementary techniques such as titration gas chromatography (TGC) reveals the important insights about the phase fraction of solid electrolyte interphases (SEI) and electrochemical deposited Li (EDLi). While cryo-EM has made significant contributions to enabling lithium metal anodes for batteries, its applications in the area of electrochemical interphases such as those in all solid state batteries, beyond lithium batteries are still in the infancy, therefore, I will discuss a few new perspectives about how future advanced imaging and spectroscopic techniques can help to accelerate the innovation of novel energy storage materials and architectures.
Enhancing Ion Mobility in Solids with Physics-Informed and AI-Driven Descriptors
Authors: Sotoudeh Mohsen , Gross Axel
Published: February 2024

The field of sustainable energy storage and conversion has witnessed increasing interest in ionic conductors due to their potential applications in electrochemical devices such as electrodes and solid electrolytes. In this study, we employed a combination of density functional theory investigations and artificial intelligence techniques to develop a robust descriptor for ion mobility [1,2]. Our descriptor incorporates factors like structural distortions, electronegativity, ionic radii, and oxidation states. By investigating various charge carrier chemistries and the anion and cation chemistries of the host lattice, we discovered that migration barriers are interconnected through linear scaling relations. Building upon this descriptor, we conducted a comprehensive study that employed both theoretical and experimental approaches to identify cathode materials with enhanced mobility for Mg-ions. Our focus was on oxide spinels, and we employed periodic density functional theory calculations to analyze the migration of Mg2+ ions and evaluate the electronic, geometrical, and stability properties of different transition metals within the spinel structures. Our findings reveal that electronegative transition metals, such as Rh, facilitate high mobility of Mg-ions and promote favorable cathode functionality within oxide spinel frameworks [3]. Based on these insights, we identified MgRh2O4 as a promising candidate and proceeded to prepare and characterize it structurally. This study opens up new possibilities for utilizing functional cathode materials with improved transport properties in battery-related applications. [1] M. Sotoudeh and A. Groß JACS Au 2022, 2, 463–471.

[2] M. Sotoudeh, M. Dillenz, A. Groß, Adv. Energy Sustainability Res. 2021, 2, 2100113. [3] M. Sotoudeh, M. Dillenz, J. Döhn, J. Hansen, S. Dsoke, A. Groß, Chem. Mater. 2023, 35, 4786–4797.
Morphology Dependent Electrochemical Performance of Hydrothermally Synthesized Birnessite-Type Manganese Dioxide in Aqueous Aluminum Ion Batteries
Authors: Abdi Azadeh , Sarraf-Mamoory Rasoul , Bund Andreas , Stich Michael
Published: February 2024

Three distinct morphologies of δ-MnO2, including a mixed morphology with nanofibers and nanosheets, smaller nanosheets, and larger, more organized nanosheets, were synthesized by controlling the hydrothermal synthesis parameters. The aim is to use these materials in aqueous aluminum ion batteries (AIBs). The materials were characterized using X-ray diffraction (XRD), field-emission scanning electron microscopy (FESEM), and energy-dispersive X-ray spectroscopy (EDS). The electrochemical performance of the δ-MnO2 electrodes was evaluated using cyclic voltammetry (CV), galvanostatic charge-discharge (GCD), and electrochemical impedance spectroscopy (EIS) techniques.

It was found that the morphology of the δ-MnO2 had a significant impact on the electrochemical properties of AIBs. Specifically, among the δ-MnO2|0.5 M Al2(SO4)3 0.4MMnSO4|Al batteries, the δ-MnO2 with larger, more organized nanosheets exhibited the highest specific capacity of 320 mAh/g, followed by the mixed morphology (213 mAh/g), and the smaller nanosheets (140 mAh/g). Furthermore, the δ-MnO2 with smaller nanosheets demonstrated the best capacity retention over 70 cycles, retaining 98% of its initial capacity, while the δ-MnO2 with larger, more organized nanosheets exhibited the lowest capacity retention, retaining only 9.3% of its initial capacity after 70 cycles.

In conclusion, this study highlights the impact of the δ-MnO2 morphology on the electrochemical properties of AIBs, with smaller nanosheets exhibiting superior performance in terms of capacity retention. These findings could be valuable for the rational design and optimization of high-performance AIB electrodes.

Keywords: aqueous aluminum ion batteries, manganese dioxide
Insights into the First Multi Transition Element Containing Ruddlesden Popper-Type Cathode for Fluoride Ion Batteries
Authors: Clemens Oliver , Vanita Vanita
Published: February 2024

Fluoride ion batteries (FIBs) have emerged as a recent solid-state battery technology, offering an alternative to traditional battery systems. However, the existing FIBs have encountered challenges related to their poor cycling performance and improved electrodes based on fluoride insertion chemistry are highly sought.

Here, we investigate Ruddlesden-Popper type La2Ni0.75Co0.25O4+𝛿 as a promising intercalation-based active cathode material for all-solid-state FIBs. We determine the structural changes of La2Ni0.75Co0.25O4+𝛿 during Fluoride intercalation / de-intercalation by X-ray Diffraction (XRD), electrochemical measurements and X-ray absorption spectroscopy to understand the detailed complex reaction behaviour of the phase, focussing on understanding the changes of Ni, Co oxidation states and coordination environments. Under optimized operating conditions, we obtained a cycle life of 120 cycles at a critical cut-off capacity of 40 mAh/g and over 250 cycles under pressure of 452MPa. The average Coulombic efficiencies ranged from 95% to 99% for the cell running under pressure. Thus, La2Ni0.75Co0.25O4+𝛿 corresponds to the most promising cycling-stable high-energy cathode materials for all-solid-state FIBs with the improved capacity.
Monitoring the Synthesis of Nickel-Poor and Nickel-Rich Oxide Cathode Materials for Lithium-Ion Batteries with Synchrotron-Based XRD and Sxas
Authors: Ying Bixian , Fritzpatirk Jack , Teng Zhenjie , Kleiner Karin
Published: February 2024

The synthesis of Ni-poor (NCM111, LiNi1/3Co1/3Mn1/3O2) and Ni-rich (NCM811 LiNi0.8Co0.1Mn0.1O2) lithium transition metal oxides (space group R-3m ) from hydroxide precursors (Ni1/3Co1/3Mn1/3(OH)2, Ni0.8Co0.1Mn0.1(OH)2) are investigated with in situ synchrotron powder diffraction (SXPD) and near edge x-ray absorption fine structure spectroscopy (NEXAFS). The development of the layered structure of these two cathode materials proceeds via two utterly different reaction mechanisms. While the synthesis of NCM811 involves a rock salt-type intermediate phase, NCM111 reveals a layered structure throughout the entire synthesis. Moreover, the necessity and the impact of a pre-annealing step and a high-temperature holding step are discussed.
Elevating Energy Density in Li-Ion Batteries through Electrospun Nanotubular Titania-Polymer Interfaces
Authors: Charkhesht Vahid , Yarar Kaplan Begum , Alkan Gursel Selmiye , Yurum Alp
Published: February 2024

The introduction of new anode materials holds the potential to address critical safety concerns associated with current commercialized options in Li-ion batteries. Graphite, while widely used, poses challenges due to its low charging potential, which contributes to the growth of dendrites and safety risks. In contrast, titania-based materials present an appealing solution. Their higher operational potential not only curbs dendrite formation but also prevents the formation of a thick solid electrolyte interface (SEI). Furthermore, the limited volume expansion during lithiation significantly enhances their safety profile, differentiating them from graphite-based anodes such as those incorporating silicon.

In this new study, titania-based nanotubular structures were created for high-energy Li-ion batteries using a novel electrospinning technique. Titania-based nanotubes were synthesized, modified for optimal charge transfer, and combined with a self-standing electrode through electrospinning with PVDF. The effects of various thermal treatment conditions on Li-ion diffusion were explored using electrochemical methods. The best charge transfer kinetics were observed in the sample treated for 10 hours. After optimizing the electrospinning process, a fully embedded nanotube fibrous structure was achieved, confirmed by electron microscopy. The use of a polymeric network removed the need for metallic current collectors, boosting energy density by 14%. These electrospun electrodes show great promise for high-energy applications.

This work was supported by the M-era.Net 2019 call project “LiBASED Li-ion BAttery-SupErcapacitor Hybrid Device”. The research was co-funded by the Turkish Scientific and Technological Research Council (TUBITAK) with project number 119N758.
Improving SiOx Electrode Performance in Pressurized Pouch Cells with a Ceramic Coated Separator
Authors: Choi Junhyeok , Choi Seungyeop , Kim Suhwan , Lim Jaejin , Lee Yong Min
Published: February 2024

The global electric vehicle (EV) landscape, driven by environmental concerns, has propelled the demand for high-capacity battery materials. Silicon-based anode materials have emerged as promising candidates due to their remarkable capacity. However, the inherent challenge lies in their substantial volume expansion during operation, exceeding 300%, which causes structural instability within the electrode.

To counteract this issue, a direct compression method is employed to mitigate the anode's volumetric expansion, ensuring sustained adhesion between active materials and current collectors. This approach promotes consistent electrical connectivity and augments capacity retention. Nevertheless, excessive pressure can detrimentally affect separators with limited mechanical resilience, resulting in pore constriction. This constriction impedes the efficient flow of electrolytes between the separator and electrode, leading to premature lithium depletion.

In our study, we compressed SiOx electrodes using Ceramic Coated Separator (CCS). CCS's unique combination of mechanical reinforcement, improved wetability, and enhanced ionic conductivity played a pivotal role, ultimately contributing to the overall improvement in electrode performance. We employed digital-twin simulations, utilizing the Finite Volume Method (FVM), to investigate the influence of CCS on various aspects. Digital-twin simulations involve creating a computational replica of the real object's geometry, allowing us to replicate its behavior and characteristics in a virtual environment, thereby enabling a detailed and accurate assessment of CCS effects. This included analyzing the enhancement of mechanical properties, such as the evaluation of von Mises stress and effective stiffness. Furthermore, we explored how CCS impacted the deformation of separators under pressure and closely monitored the movement of lithium ions within them.

The findings underscore the successful integration of CCS into SiOx electrodes, resulting in a substantial improvement in life and performance under pressure conditions. This research contributes valuable insights to the advancement of battery technology, particularly in the context of EVs, by addressing critical challenges associated with silicon-based anode materials.
Advancing Lithium Battery Performance through Gel Electrolytes: Investigating EC-Based Blends with HNBR and PEC for Enhanced Conductivity
Authors: Sadeghzadeh Rozita , Lepage David , Prébé Arnaud , Foran Gabrielle , Ayme-Perrot David , Dolle Mickael
Published: February 2024

Li-ion batteries (LiBs), the most established rechargeable energy storage devices, are currently at closing the gap of their theoretical capacity. That is the main reason why Lithium metal batteries (LMB) have recently regained interest, mainly because of the higher theoretical energy densities achievable with this technology. Therefore, the development of new electrode and electrolyte materials is essential for improving battery performance. Solid polymer electrolytes (SPEs) have been presented as safer alternatives for liquid electrolytes which are used commercially in these devices as they tend to be non-flammable, have enough mechanical strength to resist lithium dendrite growth, and do not leak. However, solid polymer electrolytes are less conductive than liquid electrolytes. Improved ionic conductivity in solid electrolyte materials can be obtained through the use of solid-state gel polymer electrolytes (GPEs). These materials combine the ionic conductivity of liquid electrolytes with the increased safety of SPE resulting in electrolytes with high ionic conductivity and good mechanical stability.1

This study introduces a novel approach to creating in-situ gel polymer electrolytes (GPEs) from solid polymer electrolytes (SPEs) using melt processing followed by sample heating. 2, 3This method capitalizes on the easy processability of SPEs. Initially, the SPE was prepared by blending two polymers with LiTFSI (bis(trifluoromethanesulfonyl)imide) through extrusion mixing. The sample was then converted into a GPE via a controlled heating step. Compared to the initial SPE, the resultant GPE possessed improved thermal and electrochemical properties. In this presentation, we will provide supportive data derived from IR, DSC, and NMR analyses to highlight the differences linked to changes in salt-polymer interactions in the GPE.

Verdier, N.; Lepage, D.; Zidani, R.; Prebe, A.; Ayme-Perrot, D.; Pellerin, C.; Dolle, M.; Rochefort, D., Cross-linked polyacrylonitrile-based elastomer used as gel polymer electrolyte in Li-ion battery. ACS Applied Energy Materials
2019,
3 (1), 1099-1110.

Ma, C.; Cui, W.; Liu, X.; Ding, Y.; Wang, Y., In situ preparation of gel polymer electrolyte for lithium batteries: Progress and perspectives. InfoMat
2021.

Verdier, N.; Foran, G.; Lepage, D.; Prébé, A.; Aymé-Perrot, D.; Dollé, M., Challenges in Solvent-Free Methods for Manufacturing Electrodes and Electrolytes for Lithium-Based Batteries. Polymers
2021,
13 (3), 323.√
Creating a Visual Topic Map for Battery Researchers Using a Large Global Open Dataset
Authors: Dieb Sae , Foppiano Luca , Sodeyama Keitaro , Tanifuji Mikiko
Published: February 2024

Battery related research has gained increasing attention in recent years. A large number of research papers about battery are being published as open access. In order to explore the research content in these papers efficiently, it is necessary to develop information management tools to capture the knowledge embedded in them.

We are working on a project to create a visual topic map for battery researchers. This map connects battery researchers according to their research topics. This allows potential connection between researches with similar research topics, which increase collaboration opportunities to advance battery research. Additionally, visualization of research content supports intuitive capturing of research trend by maximizing information absorbance.

We extract all published works related to battery research from OpenAlex1, which is a fully open catalog of the global research that offers significant advantages in terms of data coverage and affordability and openness. Anther important feature of OpenAlex is that, every article is tagged with multiple concepts using automatic classifier. In addition to concepts extracted from OpenAlex dataset, we used a pre-trained large language model, named KeyBERT2, to further extract representative terms from the work abstract. KeyBERT is a minimal and easy-to-use keyword extraction technique based on the transformers model.

For each researcher, we have extracted all concepts and terms from all the articles that authored by that author. Using those terms and concepts, we formulate a vector for each researcher that represents the total research output. To find researchers with similar research interests, we measure similarity between the vectors in the authors space. Top matching authors are connected visually to create a map expands over representative topics in battery related research. Figure 1 shows a snapshot of this map. Researchers names were hidden for privacy purposes.

1Priem, J., Piwowar, H., & Orr, R. (2022). OpenAlex: A fully-open index of scholarly works, authors, venues, institutions, and concepts. ArXiv. https://arxiv.org/abs/2205.01833

2Grootendorst, M. (2020). KeyBERT:
Minimal keyword extraction with BERT. https://doi.org/10.5281/zenodo.4461265

Figure 1
Mxene/SnO2 QDs Heterostructure Based Separator Interlayer Enable Kinetically Boosted Lithium-Sulfur Batteries
Authors: Deng Shungui , Heier Jakob , Zhang Chuanfang (John)
Published: February 2024

Lithium-sulfur (Li-S) batteries have drawn much attention as potential next-generation energy storage technology. However, their practical implementation faces challenges related to the cathode and anode, including the sluggish reactions, shuttle effect and lithium dendrite growth. The design of an efficient separator interlayer has been proved to be effective in mitigating the lithium polysulfides (LiPSs) shuttling and suppressing the formation of lithium dendrites. Here, we report a novel ultrathin and laminar MXene/SnO2 quantum dots based Mott-Schottky heterostructure with abundant active sites at their hetero-boundaries as a separator interlayer. Such design combines highly polar SnO2, conductive MXene, and highly active heterojunctions, synergistically enabling strong anchoring of LiPSs, rapid electron transportation and efficient LiPSs catalytic conversion (See figure 1). Moreover, the interlayer exhibits excellent performance at the anode side by suppressing lithium dendrite growth due to its high Young's modulus. As a consequence, the incorporation of this ultrathin and weight-negligible separator interlayer has resulted in a significant capacity enhancement of at least 20 %. In addition, we achieved an area capacity exceeding 6 mAh/cm2 at a high sulfur loading of 7.5 mg/cm2 during cycling. These findings pave new ways for further advancements in Li-S batteries and highlight the potential of heterostructure catalysis for high-performance energy storage applications.

Figure 1
Understanding the Phase Transitions in Tin Foil Electrodes for Sodium-Ion Batteries through Light Microscopy and Kinetic Analysis
Authors: Zhang JIA , Zheng Tianye , Guo Xiaoyang , CHENG Ka-wai Eric , LAM Kwok-ho , Boles Steven T
Published: February 2024

Group IVA elements exhibit some interesting sodium capabilities via electrochemical alloying processes (except carbon). Among them, tin is believed to be the most promising anode candidate for sodium-ion batteries (SIBs) due to its simple fabrication and monolithic form (e.g., metallic foils).[1] Nevertheless, tin foil anodes usually fail prematurely after only a handful of cycles. This poor reversibility is reported to be largely associated with the structural collapse of tin electrodes caused by huge volume differences among various Na-Sn phases (up to ~420%).[2][3] The volume change and the number of stress-induced cracks during different phase transitions can be different, given that these intermediate sodium-containing tin phases have different crystal structures and mechanical properties.[4] To prolong the lifetime of tin foil electrodes, it is crucial to determine which phase transitions have a greater impact on crack formation in the tin electrode and deliberately mitigate the problematic phase transitions.

In this work, the mechanisms and kinetics of the phase transitions that occur in the sodiation of tin foil are extensively investigated using operando light microscopy and robust electrochemical techniques. Ex situ X-ray diffraction (XRD) (Figure 1) reveals that the initial sodiation of tin foil begins with a significant crystalline to amorphous transition (i.e., c-Sn to a-NaSn), followed by the a-NaSn to c-Na9Sn4 and the c-Na9Sn4 to c-Na15Sn4 transitions. To further understand these transitions, we introduce a new battery configuration for light microscopy to observe the dynamic change of the cross-section macrostructure of tin foil electrodes during cycling. It is expected that the observation could partly quantify the volume expansion during different phase transitions, directly visualize the formation of cracks, and accurately estimate the sodium diffusion coefficient in tin foil electrodes. Moreover, the change of charge transfer resistance as a function of sodiation depth is measured using electrochemical impedance spectroscopy (EIS), shedding light on the degradation mechanism. Besides, potentiostatic intermittent titration technique (PITT) is also employed to determine the role of diffusion or interfacial charge transfer on the whole kinetics of tin anode at different depths of discharge. These investigations could yield fundamental insights into the sodiation mechanisms and kinetics of tin foil electrodes, and more importantly, provide guidance for the utilization of binder- and additive-free tin foil as a reliable SIB anode.

Figure 1
Kg-Scale Conversion of Coal Based Industrial Waste to a Graphitic Material for Application As an Excellent Anode Material in Lithium-Ion Battery
Authors: Kayakool Fathima ALI , Srikanth Vadali Venkata Satya Siva , Kashyap Shreyas J , Gunnum Krishna Rao Gunnum , Gnanaprakasam Balachandran
Published: February 2024

This work aims at kg-scale conversion of typical steel-industrial graphitic waste to an efficient energy storage material. In typical steel industries, coal-based carbon-rich industrial waste is generated in at least several tons per month. This waste is typically landfill waste posing a significant environmental hazard. Therefore, converting it into value-added carbonaceous material is highly beneficial. In this work, graphitic material was prepared from coal-based waste and tested as the anode in a Lithium-ion battery. The converted material's structural, morphological, and compositional details were thoroughly studied. The electrochemical charge-discharge of this graphitic material was tested by using it as an anode material in a Li-ion battery. The results showed that the converted graphitic material is on par with the commercial graphite used as an anode in Li-ion batteries.
Influence of Tin (Sn) Dispersion on the Synthesis of Silicon Nanowires on Graphite Substrates for Li-Ion Batteries Anodes
Authors: Santa Maria Luigi Jacopo , Amjad M. Zain Bin , Capkova Dominika , Geaney Hugh , Sankaran Abinaya M
Published: February 2024

In recent years, because of a more prominent power electrification, lithium-ion batteries (LIBs) have attracted more and more interest in the scientific community. The desire to increase the battery performance, capacity, and power density has led to the development of new electrode materials. Silicon has emerged as a prominent anode material for next-generation lithium-ion batteries because of its high capacity [1] (10 times higher than graphite) and energy density. However, its utilization is limited by poor electronic conductivity and significant volume changes (up to 400%) observed during the lithiation-delithiation alloying process [1]. To address these challenges and promote wider adoption of silicon as an anode material, several strategies are being explored. Among these, one of the most promising approaches involves the use of silicon in nanowire form (SiNWs) [2,3] . SiNWs help to mitigate the volume expansion during cycling due to their nanostructure, hence giving higher capacity retention to the anode. In this study, SiNWs were directly grown on graphite flakes using tin (Sn) metal as seed through a straightforward and scalable synthesis method previously developed in our lab. This poster focused on the aim of achieving good homogeneity and dispersion of all the materials in order to optimize the SiNWs synthesis. To achieve this goal, an in-depth study has been performed on ball-mill mixing, investigating different milling times and speeds, and revealing the significant influence of these parameters on the final product. A comparative analysis between the ball-milled samples and those mixed using standard agitators demonstrates a reduced tendency for the formation of tin clusters in the ball-milled sample. Consequently, the ball-milled samples exhibit higher homogeneity in the distribution of the nanowires. These results have been confirmed by electrochemical tests performed in half-cells, that show the comparison of the performances for SNWs growth with different parameters.

References:

Boukamp, B., G. Lesh, and R. Huggins, All‐solid lithium electrodes with mixed‐conductor matrix. Journal of the Electrochemical Society, 1981. 128(4): p. 725.

Chan, C.K., et al., High-performance lithium battery anodes using silicon nanowires. Nat Nanotechnol, 2008. 3(1): p. 31-5.

Mullane, E., et al., Synthesis of Tin Catalyzed Silicon and Germanium Nanowires in a Solvent–Vapor System and Optimization of the Seed/Nanowire Interface for Dual Lithium Cycling. Chemistry of Materials, 2013. 25(9): p. 1816-1822.
Potential Profiles through the PEM Water Electrolyzer Anode Compartment and Cost-Effective Cell Components
Authors: Proch Sebastian Karl , Kadam Manish , Chiney Abhinandan , Westlinder Jörgen
Published: February 2024

Potential profiles through the PEM water electrolyzer anode compartment have suggested the replacement of Pt-coated Ti components by more cost-effective materials like carbon and stainless steel [1]. Latest modelling results show that the decoupled potential of the current collector components depends on the presence of additional platinum coatings (Figure 1). These additional coatings are commonly applied at every component interface in the anode compartment to lower the contact resistance and, in turn, the electricity consumption of the electrolyzer. However, due to ionic decoupling in ultrapure feedwater the Pt-coatings can be replaced, e.g., by carbon coatings [1]. Therefore, the properties of vacuum-spray coated Ti macroporous layers (MPLs) on 316L stainless steel as demonstrated by DLR in Stuttgart [2] are well suited to protect the stainless-steel component at a distance of only tens of microns from the anode catalyst layer (ACL) especially in the absence of additional Pt coatings (Figure 1 right). Thus, a new path towards cost effective porous transport layers becomes available.

Figure 1. Left. Open circuit potentials measured ex-situ (O2 saturated H2SO4 pH 4) and in situ (anode pole plate in a PEM water electrolyzer single cell). Right. Modelling of potential profiles through sprayed MPLs [2] in the absence (brown) and presence (grey) of additional Pt coatings in the anode compartment.

References

[1] H. Becker et al. Assessing potential profiles in water electrolysers to minimize titanium use,
Energ. Environmental Sci
. 2022, 15, 2508-2518.

[2] S. Stiber et al. A high-performance, durable and low-cost proton exchange membrane electrolyser with stainless steel components,
Energ. Environmental Sci.
2022, 15, 109-122.

Figure 1
High Performance Anode Binder
Authors: Amin-Sanayei Ramin , Ye Hunter , Wu Wenjun
Published: February 2024

Binders are inactive but necessary component of the electrodes and without using a proper binder, the performance of LIBs would prematurely degrade. A well-designed binder allows to increase the electrode energy density by reducing the binder demand, as well as increasing the cycle-life by maintaining an adequate mechanical integrity and ionic mobility within the electrode.

This poster will present a newly designed high-performance anode binder by Arkema. IncellionTM EL 1061 is a high purity WB binder, could overcome the limitations of traditional binders, and allows to maximizing the performance of conventional anodes –including graphite loading of > 97%, first cycle efficiency of > 93%, high C-rate capability of 2C/0.2C of > 96.5%, and capacity retention of > 92% after 500-cycles in 18650 cells- without a need to change the anode design. Moreover, double-sided anodes of > 35 mg/cm2 loadings were successfully fabricated using this high-performance binder and tested in 75 Ah high energy density pouch cells needed for demanding applications.
Different Damage Imprinting in Lithium Ion Cells
Authors: Haß Jan
Published: February 2024

Whether a lithium ion cell is suitable for a second life application always depends on the condition of the cell. Not only the classic values such as SOH, SOC or internal resistance and impedance are meaningful parameters. Furthermore, it should be discussed how, for example, weak overcharges or deep discharges that occur over a life cycle can be detected. For this purpose, different types of damage were introduced into cells. For the first study, cells were cycled over and deep discharged. Before and after this, electrochemical impedance spectroscopies were performed. In order to determine a regstration of the damage insertion.
Methods for Characterization of Heterogeneous Aging in Large Lithium-Ion Batteries
Authors: Trippetta Gian Marco , Fang Yuan , Siddiqui Aamer , Lindstrom Rakel , Lindbergh Göran , Ekström Henrik
Published: February 2024

Lithium-ion batteries have become the predominant storage solution for electrified vehicles and therefore research is moving forward at high speed. The high demand for improvements in extension of the battery life requires effective methods for the detection and understanding of aging phenomena. Recent high energy lithium-ion batteries teardown analyses, performed at KTH [1], have revealed a considerable extent of heterogeneity in the degradation phenomena on multiple levels. These phenomena are expected to strongly affect the rate of ageing of cells, and in turn contribute to an early end-of-life of the system.

This presentation will focus on the description of the characterization methods that will be used for future studies on the uneven distribution of cell ageing. Testing has been performed on multiple configurations of silicon – graphite composite electrodes where, given the large volume expansion of the silicon during operation, has additional variables in the degradation mechanisms.

Material characterization has been performed in the form of cross section SEM, and NMR, following a methodology developed at KTH to quantify Li-plating in different areas of the jellyroll [2], but extending it to Si. On the other hand, electrochemical measurements have been performed with small lab cells under controlled conditions. In parallel a physics-based model for describing the behaviour of such cells is being developed. The model is currently able to interpret quasi-OCV experimental data and derive the behaviour of each active material involved during these processes.

[1] Smith, Alexander J., et al. "Localized lithium plating under mild cycling conditions in high-energy lithium-ion batteries." Journal of Power Sources 573 (2023): 233118.

[2] Fang, Yuan, et al. "Quantifying lithium lost to plating and formation of the solid-electrolyte interphase in graphite and commercial battery components." Applied Materials Today 28 (2022): 101527.
Characterizing the Cathode Degradation Process from Thermal Abuse in Solid State Batteries
Authors: Diaz Megan , Bates Alex Martin , Johnson Nathan Brenner , Preger Yuliya , Torres-Castro Loraine
Published: February 2024

With an ever-increasing reliance on batteries for all aspects of life, safety of energy storage is a growing concern as reported instances of lithium-ion battery (LIB) fires and even a solid-state battery (SSB) fire arise. However, the understanding of battery safety from a fundamental materials level is not well understood. As the push for higher energy density batteries in the electrification of transportation continues, it is imperative to understand how underlying material degradation and failure affects the safety of current and next-generation lithium battery technology.

In this study, heat release and corresponding degradation due to external heating are explored for the following battery configurations: All solid-state batteries (ASSBs), SSBs containing a low amount of liquid electrolyte, and LIBs. NMC532 cathode was used in all battery configurations, Ta-doped LLZO was used for the solid electrolyte, and LiPF6 in EC/EMC was used as the liquid electrolyte in the SSB and LIB configurations. Differential scanning calorimetry (DSC) was used to raise microcells to definitive temperatures of interest depending upon their respective exotherm profile. LIB sample heat release was significantly higher than the heat release of the ASSB and SSB, even though the heating temperature range and final temperature were lower for the LIB samples. The disassembled microcell components were then analyzed using X-ray diffraction (XRD) and scanning electron microscopy (SEM). XRD analysis revealed the LIB samples did not show the presence of the fully degraded rock salt crystalline phase after peak heat release, whereas ASSB and SSB configurations revealed the presence of the rock salt phase. Additionally, SEM image analysis shows no degradation of the LIB particles, while ASSB and SSB samples show surface degradation of the high temperature samples. Decomposition of NMC to the rock salt phase involves the release of oxygen, which may undergo an exothermic reaction inside the SSB. These investigations shed light into the expected extent of NMC decomposition at key temperatures and exothermic heat flow peaks for each battery composition. Future work combining these results with further elemental characterization experiments will pave the way for a materials-level understanding that can be incorporated into the initial design and development stages of next generation lithium batteries, impacting the creation of energy storage devices by ensuring commitment to safety from the ground up.
A Study on Film Properties Control of Atomic Layer Deposition Amorphous Carbon for PRAM Electrode Application
Authors: Kim Tae Hyun , Kim Myoungsub , Park Seungwon , Chung Seung-min , Kim Hyungjun
Published: February 2024

As the amount of data usage increases with the development of technologies such as artificial intelligence, Internet of Things (IoT), and big data, the need for development of high-performance memory devices and improvement of density is increasing. Phase change memory is a next-generation memory device that stores and erases information by the resistance difference generated by reversibly and rapidly changing the crystal structure of the memory cell. Recently, research on the material engineering aspect to increase thermal efficiency by using various electrode materials and the structural aspect to increase the degree of integration by making a 3D structure is attracting attention. As an electrode material to increase the thermal efficiency of PRAM devices, carbon, which has various resistances (conductor (graphite, sp2 bond) – insulator (diamond, sp3 bond)) depending on the state of atomic bonding is an attractive material. Therefore, research using carbon as an electrode by using PVD and CVD processes has been conducted, but there is a problem that it is difficult to use it for devices with a complex 3D structure with the existing process. Therefore, in this study, an a-C ALD process that can be uniformly deposited in a 3D structure was developed using the CBr4 precursor. And by analyzing the bonding state and physical properties of the deposited thin film, the mechanism of how the a-C thin film grows according to the thin film deposition conditions is studied.
N-Doped Norbornane sp2 Carbon Framework: An Efficient Electrocatalyst for Oxygen Reduction and Hydrogen Evolution Reaction
Authors: Mane Rupali , Jha Neetu
Published: February 2024

At present, development of Pt free bifunctional electrocatalyst for oxygen reduction reaction (ORR) and hydrogen evolution reaction (HER) is necessary for the advancement of sustainable and cost-effective solutions for energy conversion and storage technology. In this direction, herein we report N doped sp2 hybridized carbon framework (N-CF) as a metal-free electrocatalyst for ORR and HER. This work inspects the effect of N doping that converts a hybrid structure of CF {Norbornane or bicyclo [2, 2, 1] heptane structure} into planar N-CF. A series of N-doped CF with different doping concentrations has been prepared using a facile and cost-effective technique. This robust electrocatalysts exhibits a promotional effect in the activity, porosity, thermal and electrochemical stability for the ORR and HER reactions. A rich delocalized electronic density of the sp2 bounded N species helps in modulating antibonding state of molecular oxygen and facilitates the breakage of O=O bond in ORR. It also promotes proton adsorption via bonding between proton and valence electron rich catalyst surface to aid HER. The research sought to investigate the employability of N-CF for fabricating sustainable energy devices with electrocatalyst possessing multiple electrocatalytic activities for ORR and HER.

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Electrochemical Property of Activated Carbon Monolith from Potato for Supercapacitor Electrode
Authors: Kim Nam Il , Hwang Minhu , Lee Jae-Suk , Yoon Tae-Ho
Published: February 2024

Electrochemical property of activated carbon monolith from potato was studied for possible application in supercapactor electrode. First, potato powder was purchased and used to prepare column shape samples via pressing. Then, they were subjected to two-step pyrolysis to avoid cracking, such as the 1st step at 300 °C at 0.5 °C/min heating rate and the 2nd pyrolysis at 400, 500 or 600 °C under N2 flow in a tube furnace. Next, the samples were cut into 1 mm thickness and then grinded into 0.5 mm, followed by immersing in 6M KOH solution and then the activation at 700 °C under N2 flow. Finally, the electrochemical properties of activated carbon monoliths were evaluated with a three-electrode system by cyclic voltammetry, galvanostatic charge-discharge (GCD) and electrochemical impedance spectroscopy (EIS). In addition, two-electrode system was also studied with the samples having highest specific capacitances, being from 400 °C pyrolysis. The samples were characterized by Raman, XRD, XPS and SEM, and specific surface area was also measured. Specific capacitance of 382 F/g was obtained from 400 °C pyrolysis, followed by 321 and 253 F/g from 500 and 600 pyrolysis, respectively.