bluuebunny/crossref_metadata_2025_split huggingface dataset:
A Better Understanding of Batteries: Manufacturing and Simulation of Li-Ion Cells
Authors: Chepyala Seshuteja , Moss Pedro L. , Weatherspoon Mark H. 
Published: February 2020

High energy lithium (Li) batteries are fast becoming a promising energy market for applications in the automotive and portable power industries. In the search for better specific energy and lower cost to manufacture the batteries, novel methods are being researched to overcome the design and operational entices before becoming commercially viable. One of these methods to achieve the above said goals is to manufacture the cells and compare the manufactured cell with its model.
This paper proposes battery cell manufacturing and laboratory level testing combined with advance modeling techniques to obtain a correlation for the cell life and stability characteristics data obtained by both simulation and manufactured cell. The batteries are made in the laboratory using the proven and tested methods and the cells are assembled after performing detailed analysis on the surface area and BET analysis of the electrodes. The cells are modeled in COMSOL Multiphysics to estimate the cycle life and stability and to check whether the simulated data is the same as the estimated data. This latter model is then used to check the performance of the cell. The COMSOL simulations are done for different cells and the data is compared with their respective manufactured cell data. The cells are prepared using various available electrode materials and extensive study is carried out regarding the assembly and manufacturing.
Preliminary tests of cathode electrode half cells using lithium iron phosphate (LFP) have achieved good results and the theoretical and practical specific capacities are similar as shown in Figure 1. We are able to achieve the specific capacity of LFP half-cell close to 135mAh (densified) as compared to the theoretical capacity of 155mAh. The cells should show similar charge discharge performance when modeled in COMSOL and achieve the similar results when the cells are tested. The results are discussed and recommendations made on battery dimensioning using the specifications observed.

Figure 1
Pre-Lithiation Treatment of Carbon Anodes Loaded with Different Li-Source Structures
Authors: Shellikeri Annadanesh , Watson Venroy George , Adams Daniel Lawrence , Kalu Egwu Eric , Zheng Jim P. 
Published: February 2020

Lithium ion capacitors (LICs) have come to fill the gap between traditional Electric double layer capacitors (EDLCs) and Lithium ion batteries 1. But the carbon anodes, which exhibit a significant loss in their initial capacity due to consumption of Li ions in the device in forming the passivating SEI layer, have the potential to diminish this advantage, if unaddressed. Hence, one of the keys to the development of these devices is the pre-lithiation treatment which is conducted on the carbon negative electrodes. The lithiation process can be accomplished through several methods 2, including electrochemically driven lithiation, lithiation using external short in half cell configuration, lithiation by use of a back-side sacrificial lithium in combination with electrode with through holes and a separator or by direct-contact of lithium source and the negative electrode. This latter method of direct-contact is an efficient way of the lithiation since it doesn’t require any re-arrangement or any special structural needs for the electrodes.
We investigate this direct-contact lithiation process in different carbon anodes using various lithium source structures, which can have a major impact on the lithiation times and the properties of the SEI formed, further impacting the electrode processing costs. The results of this study in half-cell configuration and the performance in LIC configuration will be presented, while elaborating on the lithiation rates, efficiency and structural characteristics. Our preliminary results show that the amount and the rates of lithiation greatly vary in different anodes (graphite- Gr, hard carbon - HC, resp.), depending on the type of lithium source structures employed (4 types). Figure 1 compares the lithiation in anodes loaded with two such lithium sources (Stabilized Lithium Metal Powder – SLMP, Lithium Foil Strips - FS), during the first 24 hours duration of electrolyte soaking. The presence and absence of staging mechanism is distinctly evident in the graphite and hard carbon anodes, respectively, mainly due to different interplanar spacing in them. The different rates of lithiation is also evident from the varying amounts of remnant loaded lithium source.

Cao WJ, Shih J, Zheng JP, Doung T. Development and characterization of Li-ion capacitor pouch cells. J. Power Sources 257, 388–393 (2014)

G. Gourdin, P.H. Smith, T. Jiang, T.N. Tran, D. Qu, Lithiation of amorphous carbon negative electrode for Li ion capacitor, J. Electroanalytical Chemistry, 688, p. 103 (2013)

Figure 1
Improving the Performance of LiFePO4 Cathode Material By: Finding out an Effective Mixing Ratio for Cathode Slurry and Implementing Calendaring Process
Authors: Khanam Jobeda Jamal , Moss Pedro L. , Weatherspoon Mark H. 
Published: February 2020

The olivine structured lithium iron (II) phosphate (LiFePO4) is a promising cathode material for use in lithium-ion batteries. It has a high operating voltage (~3.4 V vs Li/Li), nontoxic and environmentally benign [1]. Although It has high specific theoretical capacity (~ 170 mAh g− 1), at high ‘C’ rates the discharge capacity decreased exponentially. To get optimum and consistent discharge capacity at different ‘C’ rates, the conductivity has to be improved. Different percentage of PVDF and carbon black were used to prepare slurry mixture of LiFePO4 and then coated on bare aluminum and carbon coated aluminum foil to make the cathode electrodes. Coin cells were made and tested at 1/10 C, 1/5 C, ½ C and 1C rates. Also to compare the effect of binder on cell performance, distinct percentages of water based binder were used. For this experiment each sample cathode electrode were calendared to different densities. A comparison of uncalendered and calendared cathode electrode (with carbon-coated current collector and also non-carbon coated current collector) were made. Before calendaring, material density was 0.8424 gcm-3 at 146 µm thickness of cathode electrode and after calendaring, density increased to 1.59 g/cm-3at 97 µm thickness. Discharge capacity at different “C” rates shows that the calendared electrode provide consistent and better discharge capacity performance than the uncalendered electrode. Electrochemical impedance spectroscopy (EIS) test shows the calendaring of electrode exhibits a large decrease in contact resistance.

Reference:

[1] Seung-Ah Hong,Su Jin Kim, Kyung Yoon Chung, Myung-Suk Chun, Byung Gwon Lee, Jaehoon Kim, “Continuous synthesis of lithium iron phosphate (LiFePO4) nanoparticles in supercritical water: Effect of mixing tee”, The Journal of Supercritical Fluids, Elsevier, 2013.
A Li2s@SiO2 Modified Separator to Suppress Polysulfide Shuttle Effect and Li Dendrite Growth for Li-S Batteries
Authors: Ren Yuxun , Jiang Haoran , Zhou Xuelong , Zeng Yikai , Liu Ming , Zhao Tianshou 
Published: February 2020

Abstract
High-energy Li-S batteries hold the promise of prolonging the electric vehicles’ mileage, but have been largely impeded by the polysulfide shuttle effect. It is recently reported that the uniform Li2S passivation layer deposited on the Li anode formed by side reactions (Li+(Sx)2-→Li2S) can perform a role in inhibiting polysulfide corrosion, however the Li dendrite growth usually leads to the collapse of the passivation layer and aggravates the side reactions [1, 2].
In this work, we propose to separate the Li2S passivation layer from the Li dendrites, which is realized by fabricating a SiO2 nanosphere layer impregnated with Li2S. With such a pre-passivation strategy, the Li-S batteries exhibit a substantial prolonged cycle life (4 mg cm-2 sulfur loading, > 3.6 mAh cm-2, 84% capacity retention) for the reasons: (i) the impregnated Li2S within the SiO2 spheres chemically anchor the polysulfides and thus largely suppress the polysulfide crossover; (ii) the mechanically strong SiO2 layer is capable of effectively mitigating the Li dendrite growth. The achieved results suggest that our strategies of building up a passivation layer separated from the Li anode is facile and effective, and can be readily for use in battery production.
Key words: Li-S battery; passivation layer; shuttle effect; Li dendrite.
References
[1] W. Li, H. Yao, K. Yan, G. Zheng, Z. Liang, Y.-M. Chiang, Y. Cui, Nature communications, 6 (2015).
[2] C. Yan, X.-B. Cheng, C.-Z. Zhao, J.-Q. Huang, S.-T. Yang, Q. Zhang, Journal of Power Sources, 327 (2016) 212-220.
Well Dispersed RuO2 Nanoparticle on NiCo2O4 Nanosheet Architectures As Efficient Bifunctional Catalysts for Lithium-oxygen Batteries
Authors: Zou Lu , Jiang Yuexing , Chi Bo , Cheng Junfang 
Published: February 2020

The rechargeable nonaqueous Li-O2 battery holds promise to a perfect substitutes for lithium-ion battery for the theoretically high specific energy density (∼3505 Wh·kg-1). 1However, the great challenges facing the Li-O2 battery is still left so far. One of which is a huge energy loss for achieving a reversible Li-O2 electrochemical process, oxygen evolution reaction (OER) and oxygen reduction reaction (ORR) kinetics are critical to the realization of highly efficient lithium-oxygen batteries. 2, 3Rational design of bifunctional catalysts with fast oxygen reduction reaction (ORR) and oxygen reduction reaction (ORR) are valid to work out current problems.4

Here, we first exploit a particular structure of RuO2 nanoparticle and NiCo2O4 nanosheet composite, which RuO2 nanoparticle is uniformly coated on the surface of NiCo2O4 by a simple solution method. We demonstrate that the special design of RuO2/NiCo2O4 nanosheet composite provide excellent bifunctional electrocatalytic activities in Lithium-O2 battery. The air electrodes using RuO2/NiCo2O4 composite show enhanced overpotential characteristics and stable cyclability in our study, demonstrating high potential as efficient OER and ORR catalysts.
Referrences
1. D. Xu, Z. L. Wang, J. J. Xu, L. L. Zhang and X. B. Zhang, Chemical communications, 48, 6948 (2012).
2. B. D. McCloskey, A. Speidel, R. Scheffler, D. C. Miller, V. Viswanathan, J. S. Hummelshoj, J. K. Norskov and A. C. Luntz, The journal of physical chemistry letters, 3, 997 (2012).
3. S. S. Zhang, D. Foster and J. Read, Journal of Power Sources, 195, 1235 (2010).
4. V. Viswanathan, K. S. Thygesen, J. S. Hummelshoj, J. K. Norskov, G. Girishkumar, B. D. McCloskey and A. C. Luntz, The Journal of chemical physics, 135, 214704 (2011).
Carbon Nanotube (CNT) Foams As Sulfur Hosts for High Performance Lithium Sulfur Battery
Authors: Shen Chao , Xie Jianxin , Zhang Mei , Zheng Jim P. , Hendrickson Mary A. , Plichta Edward J. 
Published: February 2020

The current Li-ion battery based on lithiation chemistry has a theoretical specific capacity of 372 mAh g-1. A battery chemistry beyond lithium ion vision is in urgent need to meet the ever-increasing energy storage demand. Lithium sulfur (Li-S) battery with a theoretical specific capacity of 1672 mAh g-1, is a promising candidate for next generation rechargeable lithium battery due to its high energy density, low raw material cost and environmental friendliness1. Despite these advantages, the current Li-S battery suffers from major problems including limited discharge capacity, poor cycle life and low coulombic efficiency, which severely hinder its commercialization.
In this work, freestanding, three-dimensional macroporous carbon nanotube (CNT) foams were used as sulfur hosts. To synthesize CNT foams, poly(methyl methacrylate) (PMMA) microspheres were used as a template and Polyac-rylonitrile (PAN) was used as a precursor to create crosslinks among CNTs2,3. The sulfur was then infiltrated into the foam by melting diffusion method. The porosity and sulfur loading of the CNT/S composite can be easily tuned during synthesis. The as-obtained cathodes showed a stable electrochemical performance with an initial specific capacity varied from 1337 to 1016 mAh g-1 at 0.2 C under sulfur loading of 1-3 mg cm-1. The cell under sulfur loading of 2 mg cm-1 retained a capacity of 812 mAh g-1 after 100 cycles. The incomplete sulfur utilization and gradual capacity decay during cycles are mainly associated with the growth of insulating end product Li2Sx (x≤2) and the dissolution of soluble intermediate product Li2Sx (4≤x≤8). Several approaches to overcome the issues and further improve the electrochemical performance were studied, including surface modification of CNT for better polysulfide anchoring, optimizing cathode pore structure by mixing CNT with microporous carbon, applying an interlayer as an upper current collector and enforcing an all-solid-state reaction by partial recharging within the second discharge plateau. The results of these studies will be presented and discussed in the meeting.
1. A. Manthiram, Y. Fu, S. Chung, C. Zu, and Y. Su, Chem. Rev., 114, 11751–11787 (2014).
2. Y. Cui and M. Zhang, ACS Appl. Mater. Interfaces, 5, 8173–8178 (2013).
3. Y. Cui and M. Zhang, J. Mater. Chem. A, 1, 13984-13988 (2013).
R&D for Lithium/Sulfur Batteries with Super High Energy Density
Authors: Zhang Hongzhang 
Published: February 2020

The lithium/sulfur (Li/S) battery has been attracting increasing attention due to their higher theoretical specific energy density (2,600 Wh kg−1). However, the practical energy density of the Li/S battery (soft package) is still low, accompanied other unsolved problems as poor cycle life, low safety as well as worse rate capability. In order to solve these problems, much research effort has been engaged in developing better cathode materials (carbon/sulfur), cathode structure, electrolyte and separators.
By improving the performance of key materials and structure (including the C/S composite, separators and electrolyte), the energy density of the Li/S battery has been improved to over 90
0 Wh/kg and 1000 Wh/L. For another thing, the Li/S cathode could reach over 100 cycles with capacity retention of 70% (still over 800 mAh/g (S)) with energy density of 300 Wh/kg. In this presentation, the design and preparation of key materials (especially cathode and electrolyte) for soft package batteries will be presented. The key issues and solutions that affect the cycle life and energy density of Li/S batteries would be discussed in detail.

Figure 1
Li2s Nanoparticles for for a Better Understanding of the First Charge Working Mechanism of Li-Ion/Sulfur Batteries: An Operando XAS/Xes Coupled with XRD Analysis
Authors: Robba Alice , Bouchet Renaud , Barchasz Céline , Colin Jean-Francois , Elkaïm Erik , Kvashnina Kristina , Vaughan Gavin , Kavcic Matjaz , Alloin Fannie 
Published: February 2020

With their high theoretical energy density (~2600 Wh.kg-1), lithium/sulfur (Li/S) batteries are highly promising, but these systems are still poorly understood due to the complex mechanisms/equilibria involved. Replacing S8 by Li2S as the active material allows the use of safer negative electrodes, like silicon, instead of lithium metal. S8 and Li2S have different conductivity and solubility properties, resulting in a profoundly changed activation process during the first cycle. Particularly, during the first charge a high polarization and a lack of reproducibility between tests are observed [1] (Figure 1a). Differences observed between raw Li2S material (micron-sized) and that electrochemically produced in a battery (nano-sized) may indicate that the electrochemical process depends on the particle size [2].
Then the major focus of the presented work is to deepen the understanding of the Li2S material charge mechanism, and more precisely to characterize the effect of the initial Li2S particle size both on the mechanism and the electrode preparation process. To do so, Li2S nanoparticles were synthetized according to two ways: a liquid path synthesis [3] and a dissolution in ethanol, allowing Li2S nanoparticles/carbon composites to be made [4]. Preliminary chemical and electrochemical tests show that starting with Li2S nanoparticles could effectively suppress the high initial polarization (Figure 1b) but also influence the electrode slurry preparation. Indeed, it has been shown that classical formulation process - a slurry composed of Polyvinylidone Fluoride polymer dissolved in N-methyle-2-pyrrolidone - cannot be used with Li2S nanoparticles. This reveals a complete different Li2S material behavior regarding polymers and organic solvents when going at the nanometric scale. Then the coupling between two operando characterizations such as X-Ray Diffraction (XRD) and X-Ray Absorption and Emission Spectroscopy (XAS/XES) have been carried out in order to interpret the poorly understood first charge. The results allow to explain the electrochemical behaviors and particularly the polarization differences observed during the first charge between micrometric and nanometric Li2S-based electrodes.

References

[1] S. Waluś et al., Electrochim. Acta, 180, 2015, 178–186.
[2] S. Waluś et al., Adv. Energy Mater., 2015.
[3] G. J.A, K. Wong, and S. Jick, J.C.S Chem. Comm, 1978, 6–7.
[4] F. Wu, H. Kim, A. Magasinski, J. T. Lee, H.-T. Lin, and G. Yushin, Adv.
Energy Mater., 4, 2014.

Figure 1
Investigation into the Mechanism and Causes of Gassing in Li4Ti5O12 Based/ LiMn2O4 Li-Ion Battery Systems
Authors: Hoffmann Jennifer , Milien Mickdy S , Lucht Brett , Li Jing , Payne Martin , Sans John , Stephenson Scott 
Published: February 2020

Li4Ti5O12 (LTO) as an anode material for lithium ion batteries has garnered attention as a possible alternative to graphite anodes in the hybrid and electric vehicle auto industry due to its increased safety properties, high rate capabilities, and exceptional cycling stability. The main concern arises in that cells using LTO anodes produce gas especially at elevated temperatures leading to swelling and hampered performance. Many mechanisms have been proposed as possible sources of the gas evolution such as breakdown of electrolyte salts, water, and LTO surface reactions, but no direct cause or solution has been agreed upon. In the open literature, efforts have been made to combat this with either coating on LTO materials2,4 or electrolyte technology without a full understanding of how the material behaves in the cell. In this work, we take the investigation further to pinpoint the causes and mechanisms of the gas evolution in LTO based cells through gas analysis, electrochemical performance, and surface analysis in multilayer pouch cells and full cell coin cells. These results will be discussed in detail with the intention of shedding light on the gas evolution issue with the hope of leading to optimized solutions to resolve the gassing issue.

References

Y. He, B. Li, M. Liu, C. Zhang, W. Lv, C. Yang, J. Li, H. Du, B. Zhang, Q. Yang, J. Kim, F. Kang, Sci. Rep. 2, 913 (2012).

L. Wang, K. Nakura, M. Imazaki, N. Kakizaki, K. Ariyoshi, and T. Ohzuku, J. Electrochem. Soc., 159, A1710 (2012).

J. Liu, P. Bian, J. Li, W. Ji, H. Hao, A. Yu, J. Pow. Sour., 286 (2015)

W. Li, X. Li, M. Chen, Z. Xie, J. Zhang, S. Dong, M. Qu, Elect. Acta., 139 (2014)

J. Gao, B.Gong, Q. Zhang, G. Wang, Y. Dai, W. Fan, Ionics, 21 (2015)

J. Liu, P. Bian, J. Li, W. Ji, H. Hao, A. Yu, J. Pow. Sour., 286 (2015)
Li/Ag2VO2PO4 Batteries: The Roles of Composite Electrode Constituents on Electrochemistry
Authors: Bruck Andrea , Bock David C , Pelliccione Christopher J , Zhang Yiman , Takeuchi Kenneth J , Marschilok Amy C , Takeuchi Esther S 
Published: February 2020

Silver vanadium phosphorous oxide, Ag2VO2PO4, was used as a bimetallic cathode system to systematically study the impact of the constituents of a composite electrode, including polymeric and conductive additives, on the electrochemical polarization and the bimetallic discharge progression of the battery. Ag2VO2PO4 has been developed as a cathode material intended for use in batteries that power implantable cardiac defibrillators (ICDs). This application demands primary battery systems that are reliable over long periods of implantation and are able to deliver high current pulses to charge the capacitors of the device. With these requirements in mind, primary Li/ Ag2VO2PO4 batteries are particularly promising because of their high capacity (270 mAh/g), excellent rate capability with pulses >30 mA sq. 1/cm, and lower cathode dissolution compared to the commercially used Li/Ag2V4O11system.
Ag2VO2PO4 is especially well suited for studies of discharge progression in bimetallic cathode systems. Notably, it can be discharged as a pure electroactive material in the absence of a conductive additive as it generates an in situ conductive matrix via a reduction displacement reaction resulting in the formation of Ag0 nanoparticles. The electrochemical reduction of Ag+ and V5+ in Ag2VO2PO4 has previously been determined to take place sequentially at low rates, with reduction of Ag+ to Ag0 through a reduction-displacement reaction occurring first but with a small level of V5+ reduction occurring concurrently. The Ag0nanoparticles formed can be detected by diffraction based techniques and can be spatially resolved by in situ Energy Dispersive X-ray Diffraction (EDXRD) to assess the homogeneity of discharge.
EDXRD provides unique insight into the state of the electrode by enabling evaluation of discharged phases as a function of spatial location. Furthermore, the white beam energy of the synchrotron light source can penetrate the steel casing of the battery, providing in situ measurements of coin type cells without the need for specially designed X-ray windows.
Three different electrode compositions were investigated: Ag2VO2PO4 only, Ag2VO2PO4 with binder, and Ag2VO2PO4 with binder and carbon. Constant current discharge, pulse testing and impedance spectroscopy measurements were used to characterize the electrochemical properties of the electrodes as a function of depth of discharge. In situ EDXRD was used to spatially resolve the discharge progression within the cathode by following the formation of Ag0. Ex situ X-ray Diffraction (XRD) and Extended X-ray Absorption Fine Structure (EXAFS) modeling were used to quantify the amount of Ag0 formed. Results indicated that the metal center reduced (V5+ or Ag+) were highly dependent on composite composition (presence of PTFE, carbon), depth of discharge (Ag0 nanoparticle formation), and spatial location within the cathode.