bluuebunny/crossref_metadata_2025_split huggingface dataset:
Using Local Volume Expansion to Design Better Charging Protocols for Lithium-Ion Batteries
Authors: Spingler Franz B. , Wittmann Wilhelm , Sturm Johannes , Jossen Andreas 
Published: February 2020

Introduction

Reduction of charging time is desirable in most battery-powered applications and may be a key factor for wider acceptance of battery electric vehicles (BEVs). However, fast charging of lithium-ion cells may result in accelerated aging [1]. In state-of-the-art cells, lithium deposition on the graphite anodes is a significant mechanism of capacity loss, especially with high charging rates and/or low temperatures.
In this work, we show that local cell expansion can serve as an indirect measure of lithium deposition and how this relationship can be used to design charging protocols that provide both beneficial battery cycle life and charging time.

Experimental and Results

A 2-D thickness scan setup [2] is used to measure locally resolved thickness changes of commercial pouch cells during operation. After accounting for thermal expansion, the thickness changes are linked to reversible and irreversible lithium plating. The analysis is underpinned by voltage relaxation [3] and post-mortem examination. It is shown that the locally resolved thickness measurement helps detect lithium deposition more reliably and at an earlier stage than a with single-spot or a surface-averaged thickness measurement.
Finally, a screening of charging conditions and corresponding thickness changes is performed. Fast charging protocols are derived based on maximum allowable local irreversible thickness change. An extended cycling experiment serves as a proof of the cycle life advantage of our fast charging protocols compared to standard constant current – constant voltage charging.

Acknowledgements

This work has received funding from the European Union's Horizon 2020 research and innovation programme under the grant 'Electric Vehicle Enhanced Range, Lifetime And Safety Through INGenious battery management' (EVERLASTING-713771).

References

[1] Sikha G, Ramadass P, Haran BS, White RE, Popov BN. Comparison of the capacity fade of Sony US 18650 cells charged with different protocols. Journal of Power Sources 2003;122(1):67–76.
[2] Rieger B, Schuster SF, Erhard SV, Osswald PJ, Rheinfeld A, Willmann C et al. Multi-directional laser scanning as innovative method to detect local cell damage during fast charging of lithium-ion cells. J. Energy Storage 2016;8:1–5.
[3] Zinth V, Lüders C von, Hofmann M, Hattendorff J, Buchberger I, Erhard S et al. Lithium plating in lithium-ion batteries at sub-ambient temperatures investigated by in situ neutron diffraction. J. Power Sources 2014;271:152–9.

Figure 1
(Invited) Bulk and Surface Chemistry of High-Nickel Layered Oxide Cathodes
Authors: Manthiram Arumugam 
Published: February 2020

Lithium-ion batteries have become the choice of power source for portable electronics and electric vehicles as they offer higher energy density than other rechargeable systems. They are also being intensively pursued for grid storage of electricity produced from renewable sources like solar and wind. Cost, safety, cycle life, energy, power, and environmental impact are the major factors in adopting them for a specific application. Among the various practically viable insertion-compound cathode chemistries available, the layered LiMO2 (M = Mn, Ni, Co, and their solid solutions) oxides offer the highest energy density. Accordingly, there is immense interest in both academia and industry in increasing the charge-storage capacities of the layered oxide cathodes beyond the current levels. In this regard, layered oxide cathode compositions with higher nickel contents (> 50 %) are drawing much attention in recent years since Ni offers higher capacity than Co as Ni3+ can be oxidized fully to Ni4+ without releasing oxygen from the lattice unlike Co3+, which can be oxidized only to ~ 3.5+ to avoid oxygen release from the lattice. Unfortunately, compositions with high Ni contents suffer from (i) multiple phase transitions, resulting in volume change and internal stress and (ii) high surface reactivity with the organic liquid electrolyte, resulting in a growth of cell impedance and fast capacity fade during cycling. They also suffer from high surface reactivity with ambient air to form lithium hydroxide and lithium carbonate on the particle surface, which not only degrades the electrochemical performance but also severely hampers the electrode fabrication process. Innovative approaches to overcome the above challenges are needed to employ high-nickel layered oxide cathodes in practical lithium-ion cells.
This presentation will focus first on developing a fundamental understanding of the factors that control the capacity fade and air-reactivity of high-nickel layered oxide cathodes, employing samples with secondary particle sizes of ~ 10 microns and advanced bulk and surface characterization methodologies. In-depth understanding obtained with high-nickel layered oxide cathodes with Ni contents of as high as 94% and graphite anodes retrieved from full cells before and after 1,000 – 3,000 cycles based on a combination of characterization techniques, viz., X-ray photoelectron spectroscopy (XPS), time-of-flight – secondary ion mass spectroscopy (TOF-SIMS), and high-resolution transmission electron microscopy (TEM), will be presented. Utilizing the understanding gained, the presentation will then focus on the design and development of layered oxide compositions with controlled bulk and surface structures as well as new electrolytes that offer a robust interface with both the graphite anode and high-nickel layered oxide cathodes will be presented. Viability to realize lithium-ion cells with cathode capacities of as high as ~ 220 mAh/g, high power capability, and high volumetric energy density will be discussed.
Tuning the Adsorption of Polysulfides(Li2Sx) in Lithium-Sulfur Batteries with Metal-Organic Frameworks(MOFs)
Authors: Park Haesun , Siegel Donald J 
Published: February 2020

The dissolution of polysulfide (PS) intermediates during discharge is a well-known obstacle to achieving long cycle-life in lithium-sulfur batteries. Prior work has shown that PS dissolution can be partially suppressed via physical encapsulation of sulfur and PS within a porous cathode support. Metal-organic frameworks (MOFs) are crystalline, nanoporous materials with extremely high surface areas, whose structure and composition can be varied extensively. MOFs are promising cathode support materials because the encapsulation afforded by MOF pores can be augmented by chemical adsorption of PS onto coordinately unsaturated metal sites (CUS). Here we demonstrate that this additive approach – restricting PS dissolution by combining encapsulation and adsorption within a MOF – can be tuned to maximize PS anchoring via metal substitution on the CUS. Optimal MOF compositions are pinpointed by computationally screening 16 metal-substituted variants of M2(dobdc) (MOF-74) for their ability to chemically anchor prototypical species (S8, Li2S4, and Li2S) present during the cycling of Li-S batteries. Ti2, Ni2, and Mo2(dobdc) are identified as the compositions with the largest affinities for Li2S4 and Li2S. As Ni2(dobdc) has been synthesized previously, this MOF is proposed as a promising cathode support for Li-S batteries.
[1] R. Demir-Cakan et al., J. Am. Chem. Soc., 133, 16154 (2011)
[2] J. Zheng et al., Nano
Lett., 14, 2345 (2014).
[3] H. Park and D. J. Siegel, Chem. Mater., 29(11), 4932 (2017)
A New Approach to Synthesis Micrometer-Sized Porous Silicon Anode for Lithium Ion Batteries
Authors: Jia Haiping , Li Xiaolin , Zhang Ji-Guang 
Published: February 2020

A New Approach to Synthesis Micrometer-sized Porous Silicon Anode for Lithium Ion batteries
Haiping Jia, Xiaolin Li, and Ji-Guang Zhang
Pacific Northwest National Laboratory, Richland, WA, United States.
With the increasing demand on high energy Li-ion batteries (LIBs) for electric vehicles and other large scale energy storage applications, silicon (Si) based composite material has been regarded as one of the most promising candidate to replace the state-of-the-art graphite anodes and can further boost the specific energy of LIBs to be more than 300 Wh/kg. Silicon has the highest practical capacity of 3,579 mAh g-1 and a relatively low lithiation potential of 0.2 V vs. Li/Li+. However, fast capacity fade still largely limits the practical application of Si based anode. A large volume change during lithiation and delithiation processes lead to pulverization and subsequent loss of electrical contact, continuous consumption of electrolyte, repeated breaking/formation of the solid electrolyte interphase (SEI) and an increase in the overall resistance. There has been significant effort to understand and mitigate the capacity fade in Si-based anodes exploiting nanostructured electrodes, surface coatings, additives and novel binders. These advances have paved the way for practical application of Si-based anodes for Li-ion battery applications. Although significant progress has been made, most nanostructured Si materials have to be prepared by high-cost processes (such as chemical vapor deposition) that are difficult to scale up. Therefore, there is an increasing need to prepare Si microparticles (SiMP) with high conductivity and stable structures.
In this work, we developed a low-cost and scalable synthesis processes to make desired micronmeter scale SiO2/MWNT spheres. The highly spherical SiO2/MWNT macrobeads ranging from 500 nm to 10 µm in diameter were employed as template and silicon precursor (Figure 1a, b). The as-prepared material basically retains the original morphology of template and demonstrates unique hierarchical structure (Figure 1c, d). The fine primary silicon particles can shorten the Li+ transport route, and avoid the pulverization of SiMP. The obtained silicon composite delivers a reversible capacity of 1290 mAh g-1 at 1C and 87% capacity can be retained after 300 cycles. We attribute this promising cycling stability to the well-designed hierarchical structure, which provides: 1) enough void space to accommodate the volume change so that the swelling of the composite can be minimized; 2) good mechanical structure and electronic conductivity from the MWNT matrix. More details on the synthesis process and electrochemical performance of SiMP will be reported in this report.

Figure 1. (a, b) SEM images of microsphere SiO2/MWNT; (c, d) SEM images of the obtained Si/MWNT.

Figure 1
Effects of Non-Uniform Temperature Distribution on Degradation of Lithium-Ion Cells
Authors: Zhang Guangsheng 
Published: February 2020

Lithium-ion cells degrade much faster at temperatures higher than 25 °C mainly due to accelerated solid-electrolyte interface (SEI) growth in anode and degeneration of cathode [1, 2]. It is also known that temperature distributions in lithium-ion cells are not uniform [3] due to very low thermal conductivity of battery materials. The non-uniform temperature distributions could cause non-uniform degradation, thus exacerbating the thermal degradation problem, especially for large-format lithium-ion cells during high power operation. The effects of non-uniform temperature distributions on degradation of lithium-ion cells will be investigated and progress will be presented.
References
[1] C.Y. Wang, G. Zhang, S. Ge, T. Xu, Y. Ji, X.G. Yang, Y. Leng. Lithium-ion battery structure that self-heats at low temperatures, Nature, 529(7587) (2016) 515-518.
[2] T. Waldmann, M. Wilka, M. Kasper, M. Fleischhammer, M. Wohlfahrt-Mehrens. Temperature dependent ageing mechanisms in lithium-ion batteries – A post-mortem study, Journal of Power Sources, 262 (2014) 129-135.
[3] G. Zhang, L. Cao, S. Ge, C.Y. Wang, C.E. Shaffer, C.D. Rahn. In situ measurement of radial temperature distributions in cylindrical Li-ion cells, Journal of The Electrochemical Society, 161(10) (2014) A1499-A1507.
A Novel NaxMO2 (M = transition metal) Cathode Material for Sodium-Ion Batteries: Insight from the Synergetic Effect of Multi-Metal Substitution
Authors: Li Jinke , He Xin , Wang Jun , Li Jie 
Published: February 2020

Sodium-ion batteries (SIBs), as a highly promising alternative to its counterpart lithium-ion batteries (LIBs), have attracted increasing attentions due to the low-cost and abundant sodium resources, as well as the compatibility of aluminum current collectors in anode. Due to the heavier atom and larger size of Na atom compared with Li atom, the energy density of SIBs is generally lower than that of LIBs. As a result, the main application area for SIBs would be the large energy storage systems, where cost is the crucial consideration [1].
Currently, to obtain cathode materials with good performance is a main challenge up in SIBs field, because of the relatively large size and slow diffusion of Na+. Several kinds of materials, such as layered transition metal oxides, tunnel-type oxides, phosphates, fluorides, organic compounds, Prussian blue and its analogues, have been proposed as the cathode material for SIBs [2]. Among them, sodium manganese layered oxides NaxMnO2 emerge as the most promising ones as they generally have relatively high theoretical capacity, 2D diffusion space for sodium ions and can be easily synthesized. However, NaxMnO2 still suffer from the obstacles, i.e. the serious capacity fading and bad rate performance because of ‘Jahn-Teller effect’ of Mn3+, and the low energy density as a consequence of the low voltage plateau of Mn3+/Mn4+ redox couple. Substitution Mn with other transition metal elements can be an effective way to overcome these problems [3].
In this work, the double metal (Cu and Mg) substitution is applied to enhance the electrochemical performance of P2-type Na0.67MnO2. The idea is to combine the advantage of inactive Mg ions (enhancing the stability) and active Cu ions (high voltage plateau of Cu2+/Cu3+) to improve electrochemical performance of the material. Compare to the un-substituted and single substituted materials, the co-substituted materials exhibits superior electrochemical performance, it can deliver the initial discharge capacity of 85 mAh g-1 at 180 mA g-1 with capacity retention of 93% after 500 cycles. Besides, Neutron diffraction, X-ray Absorption Structure (XAS) Spectroscopy and In-situ XRD are combined to obtain its structure information. It is found that the co-substitution of Cu and Mg can effectively suppress the multiple phase transitions during electrochemical process, and the structural stability is largely enhanced.
[1] M. D. Slater, D. Kim, E. Lee, C. S. Johnson, Advanced Functional Materials 2013, 23, 947.
[2] H. Pan, Y.-S. Hu, L. Chen, Energy & Environmental Science 2013, 6, 2338.
[3] J.-Y. Hwang, S.-T. Myung, Y.-K. Sun, Chemical Society Reviews 2017.
Unraveling the Inner-Workings of Lithium Transition Metal Oxyflourides Using DFT-Based Cluster Expansion Method
Authors: Chang Jin Hyun , Loftager Simon , Garcia Lastra Juan Maria , Vegge Tejs 
Published: February 2020

Lithium transition metal oxyfluoride is one of the most promising cathode materials that can achieve a two- to three-fold increase in the capacity of the Li-ion batteries compared to the current state-of-the-art [1,2]. Consequently, transition metal oxyfluorides are attracting much interest for both Li-ion and beyond Li-ion batteries in recent years. The mixed-anion compounds such as Li2VO2F and Li2CrO2F offer improved capacity, higher voltage and good conductivity compared to their transition metal oxide counterparts. However, one of the key bottlenecks that prevent the large-scale commercialization of the batteries with transition metal oxyfluorides is the poor cyclability [3]. Understanding the structural, mechanical and electrochemical properties of the transition metal oxyfluorides is, therefore, a crucial step in the further development of such technology. The first-principles modeling is known to be a valuable tool that can accurately predict such properties of material once its atomic arrangements are known. In the case of transition metal oxyfluorides, the exact atomic arrangements, particularly at different lithiation levels, are unknown. Furthermore, the number of possible atomic arrangements to be explored is prohibitively high, which are often described with the term “combinatorial explosion” [4]. In this work, we present a DFT-based cluster expansion method [5,6] which enables one to determine the correlation between the atomic arrangements and their formation energies. The simulation results not only show a good agreement with the reported experimental observations but also provide a deeper insight on the inner-workings of the materials that lead to the observed properties.
Acknowledgement: This research was funded by the “LiRichFCC” (“A new class of powerful materials for electrochemical energy storage: Lithium-rich oxyfluorides with cubic dense packing”), FET-Open call of the European Union Horizon 2020 program under the contract No. 711792.
1. Chen et al., Adv. Energy Mater., 5, 1–7 (2015).
2. Chen et al., RSC Adv., 6, 65112–65118 (2016).
3. Ren et al., Adv. Sci., 2, 1500128 (2015).
4. S. Morgan, G. L. W. Hart, and R. W. Forcade, Comput. Mater. Sci., 136, 144–149 (2017).
5. M. Sanchez, F. Ducastelle, and D. Gratias, Phys. A, 128, 334–350 (1984).
6. D. de Fontaine, Solid State Phys., 47, 33–176 (1994).
Capacity Fading Mechanism of Silicon Monoxide As the Anode for Lithium-Ion Batteries
Authors: Zhang Linghong , Qin Yan , Liu Yuzi , Liu Qi , Ren Yang , Lu Wenquan 
Published: February 2020

Silicon monoxide (SiO) is a promising next-generation anode material for lithium-ion batteries due to its high gravimetric and volumetric capacity. Comparative to commercially used graphite, silicon monoxide offers 18% increase in volumetric energy density on the cell stack level. Compared to future silicon anode, it offers more stable cycle performance, and is therefore a more practical choice for near world applications. Despite the advantages offered by its microstructure and the improved cycle performance enabled by further modification and treatment, the cycle life of silicon monoxide is still far from being good enough in order to be widely used. The primary focus of this work is to obtain better understanding of the major causes of capacity fading and to improve the capacity retention. In order to achieve this, we investigated the electrode composition effects on the capacity retention. Furthermore, the structural effect of silicon monoxide its electrochemical performance is explored.
Acknowledgement
We gratefully acknowledge the support from the U.S. Department of Energy’s (DOE) office of Energy Efficiency & Renewable Energy (EERE) Vehicle Technologies Office. This work is conducted under the Cell Analysis, Modeling, and Prototyping (CAMP) Facility at Argonne National Laboratory, a U.S. Department of Energy Office of Science Laboratory operated under Contract No. DE-AC02-06CH11357.
New Insights into Anionic Redox Reaction and Performance Degradation of Iron-Based Layered Oxides Cathode Materials for Sodium-Ion Batteries
Authors: Susanto Dieky , Ali Ghulam , Chung Kyung Yoon 
Published: February 2020

Sodium ion batteries continue to be of immense interest as potential substitution for lithium-ion battery due to its abundance on earth, contrary to limited source of lithium. The beneficial effect on the cost efficiency will increase if other element in the cathode is also earth abundant materials. Many type of iron based layered oxides such as secondary, tertiary, quaternary layered cathode compound for Na ion batteries have been studied. Most of these studies showed severe loss of cycle performance at high voltage. To improve performance of iron based layered oxides, especially at high voltage region, it is necessary to better understand the redox reaction of Fe3+/Fe4+ during sodium extraction. Thus, O3 type NaFeO2 was synthesized and variety of analysis was conducted such as in-situ synchrotron hard X-ray absorption spectroscopy, ex-situ soft X-ray absorption spectroscopy, and transmission electron spectroscopy.
In situ hard X-ray absorption spectra showed that Fe K-edge doesn’t shift to higher energy during Na extraction. The shift in Fe K-edge is sensitive with oxidation state of Fe that mean Fe3+/Fe4+ redox reaction does not contribute much during electrochemical test. Instead of Fe, the emerging of new peak on the pre-edge of the oxygen K-edge, indicating charge compensation of oxygen during the whole Na extraction/insertion process. Moreover, we directly reveal the limited reversibility of the oxygen redox reaction and correlation of performance degradation with surface degradation of α-NaFeO2 cathode in sodium-ion cells especially at high voltage. These finding provide more deep understanding for future development of iron-based cathode materials for sodium-ion batteries.
Advanced Current Collectors Towards Stable Li Metal Anode
Authors: Wu S 
Published: February 2020

Metallic lithium (Li) is a promising anode material for next generation rechargeable batteries. However, the dendrite growth of Li and repeated formation of solid electrolyte interface (SEI) during Li plating and stripping result in low Coulombic efficiency, internal short circuit, and capacity decay, hampering its practical application. In the development of stable Li metal anode, the current collector has been recognized as a critical component to regulate Li plating. In this work, a lithiophilic hybrid structure was synthesized as a current collector for Li metal anodes. The low over-potential for Li nucleation and the uniform Li+ ion flux induced by the current collector enabled effective suppression of the growth of Li dendrites.
As a result, the hybrid current collector achieved a Coulombic efficiency above 95% for 200 cycles at a current density of 1 mA cm-2 and stable repeated Li plating and stripping in a symmetric cell.
The High Performance Silicon Anodes Including New Water Based Binder in Lithium Ion Batteries
Authors: KIM Soo Jung , Kim Nam Seon , Choi Kwang Sik 
Published: February 2020

Silicon based negative active material has very high charge capacity and is widely applied to a high capacity battery. However, the silicon based negative active material may expand by about 300% to about 400% during charge and discharge.
Recently much attention has been devoted developing functional binders that can improve adhesion on silicon particle and accommodate substantial volume change during the charge/discharge process to maintain the electrode structure.
The binders for silicon electrodes hold stiff polymeric backbones as like carboxymethyl cellulose (CMC), poly(acrylic acid), and alginate show better electrochemical performance than commercial binders. Despite promising progress, the current research on polymer binders for silicon is still far from the practical application where high mass loading is necessary for the high areal capacity.
Here we report high performance silicon anodes using new water based binder including inorganic binder. This polymer matrix is compatible with lithium ion slurry manufacturing process, and can maintain both electric conductivity and mechanical integrity during the battery operation which results in good stability, rate capability, and cycle-life characteristics at high mass loading (>10mg/cm2).