bluuebunny/crossref_metadata_2025_split huggingface dataset:
Gel Membranes for Lithium Ion Batteries
Authors: Zhu Yusong , Li Minxia , Fu Lijun , Wu Yuping 
Published: February 2020

To improve the safety and promote the cycling life of lithium ion batteries, a lot of work has been done on gel polymer electrolytes, which can act as separator and electrolyte. The key is the gel membrane. Some former work delivers quite some misunderstandings such as requirements on mechanical strength, porosity and shut-down performance on gel membranes. Here we will expound our pioneering work from fundamental research to the commercial products, which is unique over the world.

Acknowledgment:
Financial support from Natural Distinguished Youth Scientists Project of China (No. 51425301), NSFC (21374021), STCSM (14520721800) and Natural Science Foundation of Jiangsu Province (BK20151534) is greatly appreciated.

References:
[1] Y.S. Zhu, F.X. Wang, L.L. Liu, S.Y. Xiao, Z. Chang, Y. P. Wu, Energy Environ. Sci., 6, 618-624 (2013).
[2] Y.S. Zhu, S.Y. Xiao, Y. Shi, Y.Q. Yang, Y.Y. Hou, Y.P. Wu, Adv. Energy Mater., 4, 1300647 (1-9) (2014).
[3] S.Y. Xiao, Y.Q. Yang, M.X. Li, F.X. Wang, Z. Chang, Y.P. Wu, X. Liu, J. Power Sources, 270, 53–58 (2014).
In Situ TEM Investigation of Structural Evolution of Black Phosphorous Anode for Sodium Ion Batteries
Authors: Nie Anmin , Cheng Yingchun , Mashayek Farzad , Shahbazian-Yassar Reza 
Published: February 2020

Na-ion batteries have attracted enormous interest due to its low cost and the abundance of sodium in the earth, holding the potential to become the technology of choice for large-scale electrochemical energy storage. However, the investigation of suitable anode materials for Na-ion batteries is still in its infancy and few electrode materials meet the performance requirement for practical applications. Black phosphorous (BP), which possesses layered structure, is a promising anode material for sodium ion batteries due to its extremely high theoretical capacity (2596 mAh/g) and good conductivity. However, there are few studies on the electrochemical reaction between BP and sodium.1,2 Here, we explored the structural evolution of BP during the sodiation reaction by employing a state-of-the art in situ (scanning) transmission electron microscopy electrochemical testing technique.3,4 Our in situ TEM study indicates that the sodium ion transport pathway is highly orientation dependent inside the BP. An anisotropic expansion and multiple phase transitions are also observed during the sodiation process.
[1] Park, C. M.; Sohn, H. J.
Adv. Mater.
2007, 19, 2465-2468
[2] Sun, J.; Lee, H.-W.; Pasta, M.; Yuan, H.; Zheng, G.; Sun, Y.; Li, Y.; Cui, Y.
Nat. Nanotechnol.
2015, 10, 980-985.
[3] Nie, A.; Cheng, Y. C.; Zhu, Y. H.; Asayesh-Ardakani, H.; Tao, R. Z.; Mashayek, F.; Han, Y.; Schwingenschlogl, U.; Klie, R. F.; Vaddiraju, S.
Nano Lett.

2014, 14, 5301-5307.
[4] Nie, A.; Cheng, Y.; Zhu, Y.; Asayesh-Ardakani, H.; Tao, R.; Mashayek, F.; Han, Y.; Schwingenschlögl, U.; Klie, R. F.; Vaddiraju, S.; Shahbazian-Yassar, Reza.
Nano let.

2014, 14, 5301-5307
High Capacity and High Power Ncm/Graphite Lithium Ion Battery Using Microgrid® Expanded Metal Current Collectors
Authors: Hart John 
Published: February 2020

To achieve better sustainable power application of LiNi1/3Co1/3Mn1/3O2/graphite lithium ion battery, new cell structures using Microgrid® expanded metal current collectors were studied. By adopting the Microgrid® foil for cathode electrodes, the performance of LiNi1/3Co1/3Mn1/3O2 electrodes was significantly improved at high rate discharge at both room and low temperature. Scanning electron microscopy was carried out to reveal coating features of Microgrid® cathode electrodes. The loading density of active materials can be increased by the pore structure, and the 10C capacity retention of Microgrid® electrode is 25.8% higher than that of a conventional electrode after 100 cycles, and nearly doubled for the initial discharge at 10°C. There is the potential for enhancement of cell performance using Microgrid® foils in place of conventional foils with LiNi1/3Co1/3Mn1/3O2 cathode and graphite anode. The Microgrid® full cell shows 209.0% increase of capacity with respect to conventional cells of Al and Cu foils for 10C after 100 cycles and keeps the retention rate 12% higher than the latter. Microgrid® foils can potentially be applied to other electrode materials which are suffering from capacity fade at high C-rates and at higher loading densities.
Ab-Initio Calculations of Transition Metal Doping in Li2FePO4F Polymorphs
Authors: Patel Shane , Kim Soo , Wolverton Christopher 
Published: February 2020

Lithium ion batteries have been widely used in commercial electronics since the 1990s, and with the growth of the electric vehicle market and the need to store renewable energy from intermittent sources, the demand for lithium ion batteries will continue to expand. In an effort to improve the safety, life-time, and energy density of these battery systems, there is a demand to search for alternative cathode materials. Density Functional Theory (DFT) is a powerful computational method that can be used to efficiently screening for cathode materials with desired properties [1].
Materials in the Li2-xMPO4F family, in which the M sites are occupied by a transition metal (M = Fe, Co, Ni, etc.), have been proposed as alternative cathodes to replace traditional cathode materials, such as LiCoO2. Depending on synthesis pathways, materials in this family can take three distinct structures, one in the triclinic space group P1 [2], and two with orthogonal space groups, Pbcn and Pnma [3,4], all of which permit multi-dimensional lithium transport. This, in combination with the wide range of transition metals that may occupy or be doped into the M sites, make the family potentially rich with cathode structures that operate within a desired voltage range. In addition, materials within this family are interesting due to the presence of two lithium ions per formula unit, compared to the single lithium ion present per formula unit in the olivine LiMPO4. However, extracting lithium ions from the standard Li2FePO4F past LiFePO4F requires a voltage of roughly 5 V, regardless of the polymorph [5]. By changing the redox active transition metal species, the operating voltage for lithium extraction can be tuned.

We use DFT to perform first principles calculations of Li2-xMPO4F structures with both M sites fully filled with single transition metal species, and structures with transition metal doping in the form of Li2-xMI
1-yMII
yPO4F. From our calculations, we determine ground state phase stability as a function of M, as well as structural, energetic, and electrochemical properties.

References
[1] M.M. Thackeray, C. Wolverton, E. D. Isaacs, Energy Environ. Sci. 5. 7854-7863 (2012).
[2] T.N. Ramesh, K. T. Lee, B.L. Ellis, and L. F. Nazar, Electrochem. Solid-State Lett. 13. A43-A47 (2010)
[3] B.L. Ellis, W. R. M. Makahnouk, Y. Makimura, K. Toghill, and L.F. Nazar, Nat Mater. 6. 749-753 (2007).
[4] N. R. Khasanova, O.A. Drozhzhin, D. A. Storozhilova, C. Delmas, E.V. Antipov, Chem. Mater. 24‎. 4271-4273 (2012).
[5] F. Yang, W. Sun, Y. Li,H. Yuan,Z. Dong,H. Li, J. Tian,Y. Zheng, and J. Zhang, RSC Adv., 4. 51095-50201 (2014).
What Is the Rate-Limiting Transport Factor in LiNi0.8Co0.15Al0.05O2 (NCA)?
Authors: Wen Bohua , Tsai Ping-chun , Chiang Yet-Ming 
Published: February 2020

LiNi0.8Co0.15Al0.05O2 (NCA) has been widely used as cathode in commercialized lithium-ion batteries (LIBs), but its fundamental electrokinetic properties such as interfacial and bulk transport, are poorly understood. In our previous study, diffusivity and conductivity of bulk NCA at different states of charge (SOC) have been investigated using dense single-phase pellets1. Based on that, we further attempt to understand the electrochemical charge-transfer kinetics at NCA/liquid electrolyte interface, and find out the rate-limiting transport factor of NCA cathode in LIBs.
From Butler-Volmer equation, exchange current density jo
can be utilized to evaluate the kinetics at solid/electrolyte interface. Thus, we applied two methods - electrochemical impedance spectroscopy (EIS) and potentiostatic intermittent titration technique (PITT) to study the exchange current density of NCA at different SOC using the same dense bulk pellets2. Primary results of these measurements are shown in Fig. 1. Exchange current density from PITT is found to decrease with increasing SOC, whose value is nearly 102smaller at high SOC (70 %) than that of pristine NCA. However, EIS results show discrepancy above 50 % SOC.
Based on the PITT results from bulk pellets, relative contributions of bulk and interfacial transport of the particles can be modeled using Biot numbers Λ and time constant analysis. Fixing the acceptable overpotential as 0.1 V, the rate of bulk diffusion and interfacial reaction of the 5.6 um commercial spherical NCA particles are plotted as Fig. 2. With increasing SOC, the maximum C-rate decreases by almost 102 and Λ is of order 100 indicating the mixed-control kinetics. In other words, the interfacial reaction clearly becomes the rate-limiting kinetic step and thus determine the rate-performance of NCA.
This work was supported as part of the North East Center for Chemical Energy Storage (NECCES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0012583.
References:
[1]. R. Amin, D.B. Ravnsbaek, Y.-M. Chiang, J. Electrochem. Soc. 2015, 162, A1163-A1169.
[2]. J. Li, X. Xiao, F. Yang, M. W. Verbrugge, Y.-T. Cheng, J. Phys. Chem. C. 2012, 116, 1472–1478.

Figure 1
Interfacial Strength of Cathode Materials By Laser- Spallation Measurments
Authors: Seyed Faraji Leila , Keller Michael Wade , Teeter Dale 
Published: February 2020

The adhesion of anode and electrode materials to such substrates as current collectors and solid electrolytes is an important area of research. Many potential anode and cathode materials such as SnO2 and sulfur expand as much as 300% with the intercalation of lithium. Thus understanding adhesion mechanisms can result in better functioning electrode systems and could allow new electrode materials to be used. Recently, a procedure for producing nano-scale batteries using a nano-porous alumina membrane has been developed. This battery structure consists of thin film anodes and cathodes deposited on top of the electrolyte-filled nanoporous membrane. At the moment, the interfacial strength of the anode/substrate and the cathode/substrate bond has not been studied and this battery configuration presents an ideal system for adhesion studies. In the present work, the strength of this adhesion is investigated using the novel method of laser spallation. This approach allows for the investigation of the interface adhesion strength without the complication of mechanical loading techniques. For the experiments presented, a model substrate loaded by laser spallation and the interfacial strength of the substrate-cathode bond is investigated as a function of cycling history and processing parameters. Understanding the role of process parameters like deposition condition and design parameters such as substrate thickness and film thickness, on mechanical performance of the layer is essential in optimizing manufacturing.
Effect of Aging on Overcharge Behavior of the Lithium Ion Battery
Authors: Xie Jingying , Luo Ying , Lu Taolin , Zhang Yixiao , Yan Liqin 
Published: February 2020

Rechargeable lithium-ion batteries (LIB) with high specific energy and high specific power, long life, low self-discharge, and wide work-temperature range, have been considered to be one of the most promising energy storage system. In daily use lithium-ion batteries are often exposed to great stress like high ambient temperature and high storage voltages, so calendar aging is permanently present, arising independently from other stress like cycling. This may influence electrochemical performance, kinetics and safety of the battery.
Overcharge performance is an important feature of a battery. Most of these studies are emphasizing the importance of the overcharge performances of the battery materials. In present study, the heat-release and gas evolution during overcharge process for calendar aged 10 Ah LTO pouch batteries are investigated by several analytical methods, with the positive of a mixture of LiNi1/3Mn1/3Co1/3O2 and LiCoO2 ( m : m = 7:3) and the electrolyte of 1.2 M LiPF6 in 3:7 EC/EMC). Ten identical cells are stored at 55℃ and a voltage of 2.75 V (SOC100%). The batteries are stored at open circuit potential and the storage is over up to 5 months.
The trace gas is observed when the storage time is arrived to 3 months. Seriously, the amount of evolution gas is large when up to 5 month. The evolved gase consists of carbon dioxide (CO2), carbon monoxide (CO), methane (CH4), ethane (C2H6), ethylene (C2H4), propylene (C3H6), and Propane (C3H8), as shown in Fig. 1. Especially, the amount of CO2 gas is much higher than the other gas. The carbon dioxide (CO2) is mainly from the decomposition of EC [1]. Meanwhile, the residual capacity of the batteries is gradually decreased to 86% after stored with 5 months, accompanied by the increasing of the internal resistance.
The LTO pouch batteries with the pristine, aging for 3 months, 4 months and 5months are test by overcharge under adiabatic condition. The batteries are charged with 1C from SOC 100% to a voltage of 4 V. All the LTO pouch batteries show no thermal runaway in the overcharge process. With the decrease of the residual capacity, the raising range of the temperature and average heat power of the battery in the overcharge process decreases, suggesting the overcharge property of LTO batteries aged for 5 months is improved, as shown in Fig.2. The internal gas of LTO pouch batteries with pristine and aged for 5 months after overcharged are collected by a micro-syringe, and analyzed by gas chromatography - mass spectroscopy, as shown in Fig. 1. The amount of methane (CH4) and ethane (C2H6) is obviously increasing after overcharge, which may be from the decomposition of EMC [2].
This work was supported by National 863 Program (No. 2013AA050902) and Shanghai technological innovation (No.14JC1491800).
References
[1] I. Belharouak, G.M. Koenig, Jr., T. Tan, H. Yumoto, N. Ota, K. Amine, J. Electrochem. Soc., 159 (8) A1165-A1170 (2012).
[2] Y. Takei, K. Takeno, H. Morimoto, S. Tobishima, J. Power Sources 228 (2013) 32-38.

Figure 1
Novel Titanates As Anode Materials for Sodium Ion Batteries
Authors: Ma Xuetian , Chen Hailong 
Published: February 2020

Low cost electrochemical energy storage is very much desired for electric grid and transportation. Concerns on cost and availability of lithium are raised for lithium ion battery (LIB) and other Li-chemistry based energy storage technologies, such as Li-Air and Li-S systems. Sodium ion battery (SIB) is considered as an alternative technology, due to the potentially low cost and abundance of sodium[1]. Yet many key components, including cathode, anode, electrolyte, still require further improvement.
Hard carbon and Sn alloys have shown good performance as anode for SIBs. Intercalation anodes are also desired owing to relatively small volume changes during cycling. Some titanates, such as Na2Ti3O7 and Na2Ti6O13 have been reported to have high performance. In this work, we report several new titanate compounds as promising anode material for sodium ion batteries. The compounds are synthesized through solid state reactions. Powder X-ray diffraction (XRD) and refinement were applied to identify and confirm the crystal structure. Electron microscopy was used to study the morphology of the compound and to compare the products with different synthesize treatments. The electrochemical tests showed that ~80 mAh/g reversible capacity can be achieved with good retention for one of the titanates, as shown in Figure 1, for cycling at C/10 rate between 0.01-2.5V. Ex situ and in situ XRD are used to study the structural changes during cycling. The results demonstrated a topological intercalation with small lattice volume change. The influence of synthesis conditions, including temperature, ball mill rate and carbon coating amount were also investigated.
Figure caption: Figure 1. The electrochemical cycling voltage curves of the titanate at C/10 rate between 0.01 and 2.5V.
[1] S.P.Ong, G. Ceder, Energy Environ. Sci.,2011,4,3680-3688

Figure 1
Stability of Li Metal Anode in Li-S Batteries
Authors: Cao Ruiguo , Chen Junzheng , Engelhard Mark H , Han Keesung , Xu Wu , Zhang Ji-Guang 
Published: February 2020

Because of its high energy density and promising potential to revolutionize the future electric energy storage systems, the technology of Li-S batteries has attracted significant interests in recent years. With the significant progresses made on the development of cathode materials in lithium-sulfur (Li-S) batteries, the stability of anode in Li-S batteries has become one of the more urgent challenges in order to reach the long-term stability of Li-S batteries.
Lithium metal is the preferential option for the anode material in Li-S batteries because of its high specific capacity. However, lithium polysulfides formed during discharge and charge processes may migrate from cathode to anode side to react with the lithium metal, so called shuttle problem, leading to limited cycle life and poor Coulombic efficiency of Li-S batteries. A passivation layer is easily formed on the metallic Li anode surface because of the presence of polysulfides and electrolyte additives, which is supposed to corrode Li anode and result in failure of the Li-S battery. Various strategies used to minimize the corrosion of Li anode and to reduce its impedance increase have been developed, including electrolyte additives, polymer electrolytes and interlayers. Recently, concentrated electrolytes were demonstrated to offer lower solubility of polysulfides and could lead to more stable cycling stability in Li-S batteries. Concentrated electrolytes tend to reduce the solubility of lithium polysulfides due to the lack of available solvent to partially solvate the Li+ cations. Coordinating anions also affect the solubility of lithium polysulfides through interacting with the Li+ cations with different solvation strength. In this presentation, the failure mechanism and the stability of anode/electrolyte interface in Li-S batteries with highly concentrated electrolyte will be reported.
Prediction of the Lithiation Process of Transition Metal Oxides (Co3O4 and NiO) for Lithium-Ion Batteries from First Principles
Authors: Yao Zhenpeng , Kim Soo , Aykol Muratahan , Li Qianqian , Wu Jinsong , Dravid Vinayak , Wolverton Chris 
Published: February 2020

To study the important role played by metastable phases during electrode’s charging and discharging cycling, we simulated the lithiation process of the Co3O4 and NiO using DFT calculations. The studies are started with creating supercells for Co3O4 and NiO. Li-ions were put into the unoccupied interstitial sites for a series of stoichiometries (LixMaOb, x = 0.5, 1.0, 1.5... and M=Co, Ni). For Co3O4, to investigate the energetic influence of the Co migration, initial structures are created with Cos moved from tetrahedral sites to the octahedral sites. For each composition, all the geometrically different derivative structures were generated and selected to be relaxed in DFT. Convex hulls are built with all formation energies of different stoichiometries. Voltage profiles are calculated using the energetics of the phases on the hull. Six and two metastable phases are identified for Co3O4 and NiO. Structures evolution predicted for Co3O4 are confirmed with the former experimental studies. The simulated voltage profiles resulted from the prediction of the metastable phases fit much better with the experimental measurements. The results indicate that the lithiation process of Co3O4 and NiO occur through a series of metastable phases.
Acknowledgements
Z.Y., Q.L., J.W., V.D., and C.W. were supported as part of the Center for Electrochemical Energy Science (CEES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of the Science, Basic Energy Science. S.K. was supported by Northwestern-Argonne Institute of Science and Engineering (NAISE). M.A. was supported by the Dow Chemical Company. This research used resources of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the U.S. Department of Energy under Contract DE-AC02-05CH11231.
Materials Design Guidelines for All-Solid-State Batteries
Authors: Wang Yan Eric , Richards William Davidson , Miara Lincoln J. , Kim Jae Chul , Ceder Gerbrand 
Published: February 2020

All-solid-state batteries with non-flammable solid-state electrolytes have significant advantages over Li-ion or Na-ion batteries with liquid electrolytes. In this poster we will present our recent advances in understanding the fundamental relationship between crystal structure and ionic transport in fast Li-ion conductors [1]. We find that the topology of the sites along the lithium hopping path, and the volume per anion, largely control the activation energy for Li motion. This topology is more favorable in compounds where the anions form a bcc lattice than in the typical close-packed fcc and hcp anion arrangements, explaining why most compounds are not fast-ion conductors. Furthermore, an accurate and efficient first-principles computational methodology has been developed to evaluate thermodynamic stability of the solid-state electrolyte against battery electrodes [2]. These findings not only provide valuable insights towards the understanding of materials behaviors in discovered ionic conductors, but also serve as design principles for new Li and Na conducting materials and all-solid-state batteries. We will also report a few novel Li and Na ionic conductors that are predicted based on our design principles and experimentally confirmed by our collaborators.
[1] Y. Wang, et al., “Design principles for solid-state lithium superionic conductors,” Nat. Mater., 14, 1026-1031, (2015).
[2] W. Richards, et al., “Interface stability in solid-state batteries”, Chem. Mater., 28, 266-273, (2016).
A Multiple Particles Model for Super Lithium Ion Capacitor
Authors: Cheng Yun , Li Jie , Jia Ming , Tang Yiwei , Du Shuanglong 
Published: February 2020

Super lithium ion capacitor (SLIC) is a hybrid energy storage system containing functionalities derived from lithium ion batteries and electric double-layer capacitors. The energy storage in the electric double layer plays an important role and depends on the microstructure of the electrodes and the interfacial morphology at the electrolyte/electrodes interfaces. Although numerical models based on the real structure of electrodes by 3D microstructure reconstruction technique can help us to understand the influences of microstructure on the energy storage performance of SLIC, these models are time assuming.
In this respect, we develop a Multiple Particles Model based on Single Particle Model issued by Ralph E. White. This moel is characteristiced with multiple active materials. Using this model, some electrochemical properties under galvanostatic charge/discharge behavior as well as AC-impedance behavior and rapid current pulses are in real time obtained.