bluuebunny/crossref_metadata_2025_split huggingface dataset:
Profile of Round-Trip Efficiency of Lithium-Ion Battery Energy Storage System
Authors: Arima Masahito , Lin Lei , Fukui Masahiro 
Published: August 2024

Lithium-ion battery energy storage systems (Li-BESSs) are expected to adjust variable renewable energies such as photovoltaic energy. In the viewpoint of the energy management cost, profiles of round-trip efficiency (RTE) are important characteristics of Li-BESSs. The profiles of RTE are related to the characteristics of both LIBs and inverters installed on Li-BESSs. The characteristics of Li-BESSs would be various because of reusing and degradation of lithium-ion batteries (LIBs). And inverters made by a lot of manufacturers would be so on. Accordingly, it could be said that the understanding of the profile of each Li-BESS’s RTE is complex and difficult.
Therefore, we studied the time series analysis of operation data and tried to estimate the characteristics of both LIBs and inverters. The important ones of LIB are full-charge capacity (FCC), open-circuit voltage (OCV), and internal resistance (R). In addition, characteristics of OCV and R can be expressed as function profiles with state of charge (SOC) as elements. Similarly, the important one of inverter is the typical efficiency curve. In this study, we proposed the estimation method of the profiles of OCV and R and inverter efficiency curve. On the other hand, FCC was given as assuming that general diagnosis results would be provided. Then, a RTE profile of Li-BESS (including 9.94kWh LIB and 10kW inverter) was tried to establish from the results of it.
The profiles of OCV and R were estimated by the method called MGFFD (Modified Gaussian Free-Form Deformation) that we have been established [1]. The novelty of this study could be described as:

Development of the estimation method of an efficiency curve of inverter installed on BESS during operation (Fig.1).

Quantitatively visualized profile of RTE of Li-BESS by combining results of MGFFD estimation applied for LIBs and inverter (Fig.2).

The profile described on Fig.2 is the relationship between SOC, input-output power rate of inverter, and RTE of Li-BESS. To understand Li-BESS’s charge-discharge efficiency of from state at that time to the end of an operation plan, it would be necessary information. This proposed method could clarify various RTE of Li-BESSs, consequently, be useful for its efficient operation by information communication technology.
Reference
[1] M. Arima, L. Lin, and M. Fukui, "Kalman-Filter-Based Learning of Characteristic Profiles of Lithium-Ion Batteries", Sensors, vol. 22, no. 14, 5156.

Figure 1
Operando Raman and in-Situ UV-Vis Spectroscopy Unveil the Impact of Solvent Donor and Acceptor Numbers on Gel Polymer Electrolytes in Lithium-Sulfur Batteries
Authors: Gomes Luisa Larissa Arnaldo , Dai Huidong , Sanctis Victor , Mukerjee Sanjeev 
Published: August 2024

Lithium-sulfur (Li-S) batteries boast a specific capacity five times greater than current Li-intercalation systems. Still, practical implementation faces challenges tied to liquid electrolytes, i.e., lithium metal dendrites formation, polysulfide redox-shuttle, and flammability [1]. Thus, we focus on developing biodegradable gel polymer electrolytes to overcome these issues, fostering eco-friendly, safer, and more effective energy storage solutions. Polycaprolactone (PCL) emerges as a promising GPE candidate due to its biodegradable nature and broad stability range (~5V vs Li0/Li+). Our current study investigates the influence of solvent selection, explicitly focusing on donor and acceptor numbers, in formulating gel polymer electrolytes for Lithium-Sulfur batteries. Leveraging operando Raman and in-situ UV-Vis spectroscopy, our research provides real-time insights into the dynamic interactions within the gel during battery operation, shedding light on the evolving electrochemical processes. Moreover, by systematically analyzing the impact of solvent properties on gel characteristics, we reveal a nuanced relationship, emphasizing the importance of tailored solvent selection for optimizing gel performance. Operando Raman spectroscopy enables the observation of bond formations and structural changes in the gel, while in-situ UV-Vis spectroscopy tracks the behavior of polysulfides, facilitating the identification of specific interactions and offering a comprehensive understanding of the gel's role in mitigating polysulfide shuttling. This work aims to advance our fundamental knowledge of gel polymer electrolytes and provide a pathway for optimizing battery performance and mitigating degradation mechanisms. Notably, our study introduces a novel dimension by employing a custom-built UV-Vis setup, enhancing the versatility and applicability of these spectroscopic techniques in probing the intricate interactions within gel polymer electrolytes.
Reference
1-Pervez, S. A.; Vinayan, B. P.; Cambaz, M. A.; Melinte, G.; Diemant, T.; Braun, T.; Karkera, G.; Behm, R. J.; Fichtner, M., Electrochemical and compositional characterization of solid interphase layers in an interface-modified solid-state Li–sulfur battery. Journal of Materials Chemistry A2020,
8 (32), 16451-16462.
Uncovering Reduction Mechanisms of Fluoroethylene Carbonate
Authors: Ramesh Sapna L , Lopez Jeffrey 
Published: August 2024

Energy storage plays an integral role in climate change mitigation, given that many promising alternatives to fossil fuel-based technologies rely on intermittent energy sources like the sun or wind. Particularly, lithium metal batteries (LMBs) are a promising technology due to lithium’s high theoretical specific capacity and low reduction potential, which can result in batteries with energy densities surpassing current state of the art lithium-ion batteries.1 Electrolyte design is a key strategy to improve the cycling stability and Coulombic efficiency of LMBs, where the highly reductive lithium metal anode reacts with the electrolyte during cycling, resulting in capacity loss. These reactions form a solid electrolyte interphase (SEI), and many successful electrolyte engineering strategies have involved tuning the SEI to be mechanically and chemically stable to prevent further reactions.
In this research, we focus on fluoroethylene carbonate (FEC), a highly effective electrolyte solvent in LMBs.2 Although prior research has illuminated key reduction products of FEC2,3, including lithium fluoride (LiF), there remains a gap in understanding regarding the mechanism by which FEC and other similar fluorinated solvents are reduced to form an SEI. Furthermore, recent research has demonstrated that a preformed SEI comprised solely of LiF breaks down during cycling, illustrating that bulk chemical and mechanical properties of SEI components may not translate to their function within the SEI.4 In this work, we employ electron paramagnetic resonance (EPR) spectroscopy to study intermediate generation during FEC reduction. We pursued both a chemical reduction using lithium naphthalenide and an electrochemical approach to reduce FEC. The use of EPR with spin traps enables insight into the radical species formed during FEC reduction, which we hypothesize are precursors to cross-linked polymer networks that are key to a high performing SEI. Here, we employed conventional post-mortem SEI analysis like X-ray Photoelectron Spectroscopy (XPS) in addition to EPR to clarify reduction mechanisms of FEC and form a framework for studying electrolyte reduction intermediates. Ultimately, this approach affords insight into electrolyte breakdown mechanisms to form an effective SEI which can both accommodate volume expansion and inhibit parasitic electrolyte consumption. This will guide electrolyte design for high Coulombic efficiency LMBs in the future.
References

K. G. Gallagher et al., Energy Environ. Sci., 7, 1555–1563 (2014).

X.-Q. Zhang, X.-B. Cheng, X. Chen, C. Yan, and Q. Zhang, Advanced Functional Materials, 27, 1605989 (2017).

Y. Jin et al., J. Am. Chem. Soc., 139, 14992–15004 (2017).

M. He, R. Guo, G. M. Hobold, H. Gao, and B. M. Gallant, Proceedings of the National Academy of Sciences, 117, 73–79 (2020).
Cation-Doped Nasicon-Type Electrolyte for Lithium-Ion Batteries
Authors: Chen Yen-Lin , Lu Wen-Hsuan , Chen Han-Yi 
Published: August 2024

In response to the global challenge of climate change, scientists are actively engaged in developing diverse energy storage solutions. Among these, lithium-ion batteries (LIBs) remain the most prevalent due to their high energy density and reliable cycling performance. Nonetheless, the liquid electrolytes utilized in LIBs pose safety concerns, including the risk of combustion and explosion. To address these issues, extensive efforts have been directed towards the development of solid electrolytes, which offer enhanced thermal stability, thereby improving safety during usage. However, solid electrolytes face challenges such as low ionic conductivity and suboptimal contact with electrodes.
Li1.3Al0.3Ti1.7(PO4)3 (LATP) stands out as a promising lithium-ion solid electrolyte, characterized by relatively high ionic conductivity and chemical stability in atmospheric conditions. This study first optimized the stoichiometric ratio and heat treatment during LATP synthesis. The resulting LATP exhibited an ionic conductivity of approximately 4 × 10-4 S/cm at room temperature. Additionally, efforts were made to substitute Ti4+ with another element in the lattice sites, inducing slight lattice distortion and promoting the segregation of a Li-ion-conductive second phase at grain boundaries. Consequently, the ionic conductivity of cation-doped LATP was successfully enhanced to 8 × 10-4 S/cm at room temperature.
Nevertheless, an inherent challenge faced by LATP involves its reactivity with lithium metal, posing a significant threat to the cycle life of LIBs. To mitigate direct contact between LATP and lithium metal, a protective layer composed of Poly(vinylidene fluoride-co-hexafluoropropylene) (PVDF-HFP) membrane was introduced. This not only prevented direct contact but also substantially improved the contact resistance. The culmination of these advancements led to the assembly of an all-solid-state lithium-ion battery (ASSLIBs) comprising PVDF-HFP, cation-doped LATP ceramic pellet, LiFePO4 cathode, and Li anode.
Surface Modification of Cellulose Films By Dielectric Barrier Discharge for Organic Photovoltaics Encapsulation
Authors: Saget Manon , Umeileka Chisom , Svandova Lucia , Lavoine Nathalie , Laroche Gaétan , Profili Jacopo 
Published: August 2024

Organic photovoltaics (OPV) are the third generation of solar cells and are more and more attractive for industrial applications. OPV present numerous advantages, such as flexibility, low cost, light weight, large-area production.[1,2] Nonetheless, OPV are not as efficient as the conventional crystalline silicon photovoltaic (PV) cells. Recently, power conversion efficiency (PCE) has reached 18% for OPV, while conventional PV remains around 30% [3]. In this sense, additional works are necessary to improve their processability. Moreover, components of OPV are highly sensitive to water or oxygen, which strongly affect OPV stability in time when used in harsh conditions. Therefore, development of new barrier coatings are today essential to reduce OPV degradation and increase their shelf life. According to the literature, encapsulation can be performed following three strategies: (i) glass-glass encapsulation, (ii) flexible polymer lamination and (iii) thin film direct deposition. Glass-glass encapsulation provides great protection, with good optical properties but it remains fragile and is not compatible with roll-to-roll processes. On the other hand, although, flexible polymer lamination is suitable for roll-to-roll processes, adhesion between the front and back barriers is still complex to deal with, leading sometimes to partial encapsulation, thus increasing OPV degradation. Finally, direct deposition allows to obtain thin films with excellent optical and oxygen and humidity barrier properties. To date, most of thin layers are synthesized under vacuum [1,2]. This work focus on the development new barrier coatings at atmospheric pressure, compatible with roll-to-roll processes using cellulose nanofibrils with excellent oxygen barrier properties [4]. Being hydrophilic, the surface of cellulose nanofibrils have been modified to improve the water barrier properties. Wettability modification (WCA ~ 140°) was successfully achieved with an atmospheric pressure dielectric barrier discharge to control the fragmentation/reticulation of 2,4,6,8-Tetramethylcyclotetrasiloxane (TMCTS).
References:
[1] L.J. Sutherland, H.C. Weerasinghe, G.P. Simon, A Review on Emerging Barrier Materials and Encapsulation Strategies for Flexible Perovskite and Organic Photovoltaics, Adv Energy Mater. 11 (2021). https://doi.org/10.1002/aenm.202101383.
[2] S. Song, J. Lu, W. Ye, B. Zhang, X. Liu, G. Xing, S. Zhang, Stability, encapsulation and large-area fabrication of organic photovoltaics, Sci China Chem. 64 (2021) 1441–1459. https://doi.org/10.1007/s11426-020-1021-x.
[3] S. Bhattacharya, S. John, Beyond 30% Conversion Efficiency in Silicon Solar Cells: A Numerical Demonstration, Sci Rep. 9 (2019). https://doi.org/10.1038/s41598-019-48981-w.
[4] S.S. Nair, J. Zhu, Y. Deng, A.J. Ragauskas, High performance green barriers based on nanocellulose, Sustainable Chemical Processes. 2 (2014). https://doi.org/10.1186/s40508-014-0023-0.
Exploring the Nb-Ti-W-O System for Use as Li-Ion Battery Anodes
Authors: Sieffert James Michael , McCalla Eric 
Published: August 2024

While much attention in recent years has been given to high performance Li-ion batteries for electrical vehicles, other applications such as medical devices require a unique set of properties that demand a different set of material considerations such as long lifetimes and extremely high safety. Anodes for such batteries must be carefully selected to properly achieve these goals. The most commonly industrially utilized anode material, graphite, is not suitable for medical applications due to particle fracture and Li dendrite growth at high rates. Currently utilized medical device anode materials obtain this high performance by sacrificing energy density.
Herein a new set of Nb based materials for use as anodes are presented that do not need to make such a sacrifice as they display high longevity along with high energy densities. The Nb-Ti-W pseudoternary features many promising single-phase compositions that could be used as anodes for such devices. These compositions derive from crystal structures that are found on both the Nb2O5-WO3 and Nb2O5-TiO2 pseudobinaries1, though they posses a more diverse range of chemical compositions. These compositions feature high performance discharge capacities of up to 300 mAh/g. Some materials also display robust capacity retentions of up to 98% after 10 cycles. The materials were also tested at 37 °C to simulate operation within the human body. At these temperatures, improvements were found in electrochemical performance for nearly all compositions, notably demonstrating a large improvement in capacity retention regardless of crystal structure.

References

(1) Rehman, S.; Sieffert, J. M.; Lang, C. J.; McCalla, E. NbyW1-yOz and NbxTi1-xOz pseudobinaries as anodes for Li-ion batteries. Electrochimica Acta
2023, 439. DOI: 10.1016/j.electacta.2022.141665.
Towards Understanding and Control of Thermal Processes in Lithium-Ion Batteries
Authors: Yang Yuqiang , Kortekaas Luuk , Tromp Moniek 
Published: August 2024

Despite lithium-ion batteries (LIBs) being state-of-the-art commercial rechargeable batteries, there are still significant challenges. For example, heat generation during cycling can lead to performance degradation and safety issues1-2. During the process of charging and discharging, the heat that is generated from the chemical reactions taking placing is ideally distributed uniformly in space, to dissipate out the cell easily. However, in practice, heat generation tends to be heterogeneous throughout the battery, leading to localized overheating3. This phenomenon can result in e.g. decomposition of the solid-state electrolyte interphase (SEI) layer, triggering electrode reactions with the electrolyte and degradation of the electrolyte (producing combustible gases) and even melting of the separator4. Hence, comprehending the origins of temperature generation and its heterogeneity is crucial.
To address this challenge, operando X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS) are applied to monitor the structural changes in the electrode materials during charge and discharge, while simultaneous temperature measurements are conducted using a thermal camera, as such obtaining spatial resolved structure/temperature/performance relationships. We have focused on state-of-the-art nickel rich NMC (Nickel Manganese Cobalt Oxide) versus graphite batteries and by comparing the structural changes of the electrode materials during cycling in ‘hot’ versus ‘cool’ areas of the electrode and battery, we were able to establish a structure-temperature relationships, on top of the electrochemical structure-performance relationships and as such unravel “heat-generation” process and reactions. The real-time temperature distribution was compared to the computational models using COMSOL, and insights in thermal processes and their possible control measures could be obtained.
References

Lain, M. & Kendrick, E. Understanding the limitations of lithium-ion batteries at high rates. Journal of Power Sources. Volume 493, 229690 (2021).

Ma, S., et al. Temperature effect and thermal impact in lithium-ion batteries: A review. Progress in Natural Science: Materials International. Volume 28, Issue 6, Pages 653-666 (2018).

Rafael, M., et al. Operando Radiography and Multimodal Analysis of Lithium–Sulfur Pouch Cells—Electrolyte Dependent Morphology Evolution at the Cathode. Adv. Energy Mater. 2103432 (2022).

Joris, J., et al. A comprehensive review of future thermal management systems for battery electrified vehicles. Journal of Energy Storage 31, 101551(2020).
Modeling of Lithium-Ion Convection Cell Effects on Reaction Distribution and Different Cathode Active Materials
Authors: Drake Javit , Gao Weiran , Weiss Trent A. , Vargas Ava , Brushett Fikile R. 
Published: August 2024

Li-ion batteries (LIBs) could play a substantial role in mitigating climate change if they become more widely adopted in transportation and stationary energy storage applications. Increasing this adoption requires improvement in both power density and energy density. At the cell level, this dual requirement calls for designs and active materials that overcome challenging trade-offs in nominal cell voltage, rate capability, and loaded capacity.
In our previous research,1,2 we simulated that a convection cell with liquid electrolyte flow, using LCO, can overcome the trade-offs by enhancing accessed capacity under high-rate operation. Electrolyte flow achieves this enhancement by effectively addressing both bulk electrolyte mass transfer and thermal limitations. The flow of electrolyte raises cell voltage by promoting a uniform Li+ salt concentration and regulates temperature by removing heat and lowering heat-producing overpotentials.
In our current work, we extend our macrohomogeneous modeling analysis of a Li-ion convection cell to explore the impact of concentration uniformity on charge-transfer reaction distribution and the flexibility of this approach to work with different active materials. Concentration uniformity evens the reaction distribution, facilitating spatially consistent and full utilization of the active material in the electrodes. Additionally, the use of flow enables the cell to maintain rate capability across various electrode thicknesses and areal capacity loadings. At high C rates, a convection cell with flow exhibits significantly higher output capacity than a closed cell without flow. The degree of increase in running voltage and delivered capacity depends on the choice of positive electrode active material—LFP, LCO, NCA, NMC, or LMO.
Finally, simulations of net power density and net energy density account for pumping energy loss across the cell. The improvement in net energy density with flow becomes substantial at high power density.

W. Gao, M.J. Orella, T.J. Carney, Y. Román-Leshkov, J. Drake, F.R. Brushett, J. Electrochem. Soc., 167, 140551 (2020).

W. Gao, J. Drake, F.R. Brushett, J. Electrochem. Soc.
170, 090508 (2023).
Substitution of a Microstructure-Simulation with a Data-Driven Approach for Modelling Mechanical Degradation of Electrodes
Authors: Erhardt Nikolai , Nirschl Hermann 
Published: August 2024

One significant aspect of battery aging involves the mechanical degradation of battery electrodes. The intercalation of ions into the active material particles of a lithium-ion battery creates a concentration profile along the radial direction of the active material particle, influenced by transport properties and kinetics. Mechanical stresses arise due to the spatial constraints of intercalated ions, leading to the mechanical degradation of the electrode.
Common cathode materials used in practical applications, such as Lithium Nickel Manganese Cobalt Oxide (NMC) or Lithium Iron Phosphate (LFP), undergo a transition from a lithium-poor phase to a lithium-rich phase during the intercalation process. Along this phase boundary, high mechanical stresses occur due to the inconsistency of the concentration profile, resulting in particle fractures. This can lead to electrical isolation and, consequently, the electrochemical inertization of the active particle material, manifested as a reduced battery capacity on a macroscopic scale.
Simulating these processes poses computational challenges. Given current computational power, accurately simulating a sufficient number of cycles for a microstructure simulation, which describes transport processes within a battery, is computationally prohibitive. Therefore, this study employs data-driven models. To predict radial concentration profiles within the particle, a physics-informed neural network (PINN) proves useful by extending the cost function with the transport equation. Classical neural networks (ANN) are utilized to calculate the electrical voltage of active material particles. These models are trained with results from microstructure simulations to develop a grey-box model, enabling the inclusion of mechanical degradation in the electrode simulation.
Mechanical stresses and degradations are thus investigated under various galvanostatic discharge rates to define an aging-resistant operational window for the battery.