bluuebunny/crossref_metadata_2025_split huggingface dataset:
Enabling the Next Generation of High Energy Lithium-Ion Battery Cathodes
Authors: Croy Jason R. , Long Brandon R. , Park Joong Sun , Gallagher Kevin G. , Balasubramanian Mahalingam , Miller Dean , Thackeray Michael M. 
Published: February 2020

Lithium-ion (Li-ion) battery chemistries have driven the portable electronics market for almost 25 years and are now poised to significantly impact the light-duty transportation and grid storage sectors as well. The versatility and proven record of Li-ion systems makes them an irresistible choice from a practical standpoint. However, each application continuously demands more from every new generation of battery products; the highly correlated parameters, energy, power, safety, cycle life, and cost, are constantly being pushed to their limits. Although much of the current effort in energy storage research is aimed at transformational gains, novel Li-ion systems, yet to be explored, have the potential of making continual and significant incremental impacts on next-generation technologies.
This presentation will discuss insights into the atomic-level structure and transformation mechanisms of lithium-transition-metal-oxide cathode materials. These mechanisms explain, in part, the failure modes of layered cathodes at high states of delithiation. Furthermore, a discussion on a variety of elemental and structural compositions will be given. For example, unique layered, layered-layered, spinel, and layered-layered-spinel structures and chemistries will be presented that are pushing the boundaries of current Li-ion technology.
Future directions and research in further enabling these new systems will also be discussed.

Acknowledgment

Support from the Vehicle Technologies Program, Hybrid and Electric Systems, in particular, David Howell, Peter Faguy, and Tien Duong at the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, is gratefully acknowledged.
The submitted manuscript has been created by UChicago Argonne, LLC, Operator of Argonne National Laboratory (“Argonne”). Argonne, a U.S. Department of Energy Office of Science laboratory, is operated under Contract No. DE-AC02-06CH11357. The U.S. Government retains for itself, and others acting on its behalf, a paid-up, nonexclusive, irrevocable worldwide license in said article to reproduce, prepare derivative works, distribute copies to the public, and perform publicly and display publicly, by or on behalf of the Government.
The Effect of Al and Fe Substitution on the Structure and the Electrochemical Properties of NMC Type Positive Electrode Materials for Lithium Ion Batteries
Authors: El Mofid Wassima , Ivanov Svetlozar , Bund Andreas 
Published: February 2020

Positive electrode materials combining the advantages of nickel, manganese and cobalt such as higher reversible capacity, lower cost, and less toxicity [1–4] are currently in the focus of research for lithium ion batteries. The relevant electrochemical performance of NMC type cathode materials (LiNixMnyCo1−x−yO2) has been widely discussed in literature. Al, Mg and Cr seem to be promising candidates for the partial substitution of Co in these materials [5-9] in order to further improve the electrochemical performance by decreasing the cation mixing in the structure.
The current study discusses three NMC type materials obtained by cationic substitution of cobalt with aluminum and/or iron in the starting material LiNi0.6Mn0.2Co0.2O2. The three compounds with the following compositions LiNi0.6Mn0.2Co0.15Al0.5O2 (NMCA), LiNi0.6Mn0.2Co0.15Fe0.5O2 (NMCF) and LiNi0.6Mn0.2Co0.15Al0.025Fe0.025O2 (NMCAF) were synthesized by the self-combustion method using sucrose as fuel. These materials belong to α-NaFeO2-type structure (space group R-3m) with hexagonal ordering. Rietveld refinement analysis of the XRD patterns revealed a very low cationic mixing for the double substituted material NMCAF (5%) compared to the non-substituted material (13%) suggesting a higher structural stabilization for the double substituted compound. Galvanostatic cycling measurements indicate improved electrochemical performance, good cycling stability and higher reversible capacity preferentially for NMCAF (190 mAh.g-1), NMCF (167 mAh.g-1), NMCA (145 mAh.g-1) then NMC (140 mAh.g-1).

References:

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[8] Idemoto Y, Kitamura N, Ueki K, Vogel SC, Uchimoto Y, J. Electrochem. Soc. 159 (2012) A673.
[9] Luo W, Zhou F, Zhao X, Lu Z, Li X, Dahn JR, Chem. Mater. 22 (2009) 1164.
Design of Solid Electrolyte Interphase to Improve Li-Ion Battery Cycle Efficiency
Authors: Lu Peng , Kim Jung-Hyun , Xiao Xingcheng , Harris Stephen J 
Published: February 2020

Among the many challenges to enable large scale commercialization of Li-ion batteries in plug-in hybrid electric vehicles (PHEVs) and full electric vehicles (EVs), formation of high quality solid electrolyte interphase (SEI) is one critical issue to achieve long term battery durability and safety. As a nano-meter scale thin film which natively forms on the negative electrode due to electrolyte reduction, SEI is a complex system composed of various lithium salts and organic reduction products. Most published works have focused on identifying the SEI composition, but the understanding of correlation between SEI properties and battery performance is still lacking.
Previously, we have identified that SEI impedance is closely related with its composition. Briefly, the inorganic components (e.g. Li2O and Li2CO3,
etc) constitute a low impedance and less porous part of SEI, while the organic reduction products tend to be more porous and resistive.1 In this talk, we will advance the findings and evaluate characteristic Li salts using isotope exchange method. Typical SEI components, e.g. Li2CO3, LiF, etc. are found to behave differently in passing Li. With these understandings, we will also demonstrate that the SEI composition can be modified by surface functionalization and coating on graphite electrode. By designing the SEI chemistry, the electrode/electrolyte interface is more stable and the cycling efficiency can be improved.

Figure. Isotope profiles of three Li salt thin films after soaked in 1M 6LiClO4 (DMC) solution for 30s. The natural abundance of 6Li:7Li is ~0.08. The different isotope ratios in the films indicate that SEI components may behave differently in passing Li.
Reference 1. Lu, P., Li, C., Schneider, E. W., Harris, S. J., J. Phys. Chem. C, 2014, 118, 896-903
Improvement of Electrochemical Performance of Li-Rich Cathode Material with Specific Morphology for Lithium Ion Batteries
Authors: He Xin , Wang Jun , Li Jie 
Published: February 2020

Li-rich cathode materials (Li2MnO3-LiMO2) have been reported as promising cathode materials since they can deliver high specific capacity and perform with a very good rate capability [1]. Considering the relatively high content of Mn and low content of Ni and Co, Li[Li0.2Mn0.56Ni0.16Co0.08]O2which is a solid solution between Li2MnO3 and LiMn0.4Ni0.4Co0.2O2 with mole ratio of 5:5, fulfills the requirements of a next-generation cathode material very well: low cost, higher energy density and safe. However, high cut-off voltages of up to 4.6-4.8 V are required during charge to obtain high specific capacity as well as high energy.
The morphology of a material has obvious influence to its electrochemical properties, especially for nanostructure materials. In this work, the specific morphology of Li[Li0.2Mn0.56Ni0.16Co0.08]O2, has been successfully synthesized by high temperature annealing assisted by molten salt. XRD characterization proved that it belongs to the R-3m layered structure with the monoclinic Li2MnO3-like (C2/m) super lattice. The electrochemical experiments proved that the specific structure like spherical (Figure 1A) or porous (Figure 1B) could increase the rate capability and improve the cycle performance [2]. The morphology control during synthesis is a significant way to improve the performance of Li-rich cathode in lithium-ion batteries, and is a promising candidate for the realization of high voltage lithium and lithium-ion batteries.
Reference
[1] J. Li, R. Klöpsch, M. C. Stan, S. Nowak, M. Kunze, M. Winter, and S. Passerini. J. Power Sources, 196 (2011) 4821
[2] X. He, J. Wang, R. Klöpsch, S. Krueger, H. Jia, H. Liu, B. Vortmann, and J. Li. Nano Research, 7 (2014) 110.
[3] J. Wang, X. He, R. Klöpsch, S. Wang, B. Hoffmann, S. Jeong, Y. Yong and J. Li. Energy Technology, 2 (2014) 188
Degradation Diagnosis of Aged Li4Ti5O12/LiFePO4 Batteries
Authors: Castaing Rémi , Reynier Yvan , Dupré Nicolas , Schleich Donald , Jouanneau Séverine , Guyomard Dominique , Moreau Philippe 
Published: February 2020

Lithium-ion batteries longevity is of major concern for electric transportation applications. It is therefore necessary to understand the performance decay of a battery subject to aging conditions. Degradation mechanisms of the electrodes are generally divided into three families: (i) irreversible loss of active material, (ii) parasitic reactions leading to a loss of cyclable lithium or electrons, (iii) increase in resistance due to passive films formation and loss of contact [1, 2].
Lab-scale Li4Ti5O12/LiFePO4cells were submitted to accelerated aging during 4 to 5 months. All the cells exhibit capacity fade whose extent is not correlated with the aging condition. In order to understand aging phenomena, cells were disassembled at the end of cycle life and the recovered electrodes were analyzed using electrochemistry, electron microscopy, XRD and MAS-NMR. Positive and negative electrodes show no loss in active material and no change in electrochemical activity, active material structure and composite electrode structure. This rules out any irreversible electrode degradation. Lithium stoichiometry estimated by both XRD and electrochemistry is unexpectedly low in the positive electrode when the aging is stopped at full discharge. That indicates a loss of cyclable lithium or electrons leading to cell balancing evolution [3]. That loss has been caused by parasitic reactions occurring at both electrodes, in accordance with their rich surface chemistry evidenced by MAS-NMR.
This surface chemistry is fully characterized by MAS-NMR both qualitatively and quantitatively, using an original calibration method (see Fig. 1) [4]. Correlations are drawn between the quantity of diamagnetic lithiated species deposited on the surface of both electrodes (mainly LiF) and the loss of cyclable lithium or electrons undergone by the cell. This study attempts to develop a parasitic reaction pathway that explains the loss of cyclable lithium or electrons encountered under these aging conditions.

References:

[1] J. Vetter, P. Novák, M. Wagner, C. Veit, K.-C. Möller, J. Besenhard, M. Winter, M. Wohlfahrt-Mehrens, C. Vogler, A. Hammouche, Journal of Power Sources 147 (2005) 269.
[2] A. Barré, B. Deguilhem, S. Grolleau, M. Gérard, F. Suard, D. Riu, Journal of Power Sources 241 (2013) 680.
[3] M. Kassem, C. Delacourt, Journal of Power Sources 235 (2013) 159.
[4] M. Cuisinier, J. F. Martin, P. Moreau, T. Epicier, R. Kanno, D. Guyomard, N. Dupré, Solid State Nuclear Magnetic Resonance 42 (2012) 51–61.

Figure 1: Calibration of NMR-MAS 19F signal with LiF-electrode mixtures.
Structural and Spectroscopic Studies on Electrolytes Containing Novel Salts Dedicated to Lithium-Ion Batteries
Authors: Jurkowska Barbara , Szablowska Aneta , Jankowski Piotr , Gajewska Agnieszka , Poterala Marcin , Kalita Michal Jan , Dranka Maciej , Zukowska Grazyna Zofia , Zachara Janusz 
Published: February 2020

Lithium anode an Li-ion batteries are chemical power sources of high energy and power density. In other words, such batteries can be light, small and relatively efficient. Therefore, they can be used in several power-demanding devices, like laptops, tablets, smartphones as well as cameras. Despite of this commercial success, the scientific works oriented on development of these power sources are still conducted. The most important problem, which still needs to be solved, is stability of the battery and battery life length. This is related to the stability of the electrolyte-electrode interfaces.
Due to this, the importance of the research on novel salts for batteries' electrolytes grew more and more important. The focus was put on looking for novel lithium salts which dissociate well in aprotic solvents and are electrochemically and thermally stable.
In the present study, spectroscopic and structural properties of the solvates of the lithium salts with fluorine-free heteroaromatic anion are researched. The main impact is put on complexes of the salts with dimethyl ethers of ethylene glycol oligomers (glymes) and organic carbonates.
Correlation between crystal structures, obtained from X-ray diffraction experiments on the single crystals with vibrational spectroscopy data (FTir and Raman) should make the prediction of the cation-anion-solvent molecule interactions in the liquid systems possible.
The discovering and understanding of phenomena related to the organization of such systems in the solid state is crucial for the elaboration of novel electrolytes. Gained knowledge will be helpful in the design of novel compounds with defined properties and in optimization of the working systems.
Reverse Monte Carlo Simulation of Lithium Transition Metal Oxide for Cathode Material of Lithium-Ion Battery
Authors: Kitamura Naoto , Ishida Naoya , Idemoto Yasushi 
Published: February 2020

INTRODUCTION

In last few decades, lithium transition-metal oxides with layered structures, such as Li(Ni,Mn)O2 and Li(Mn,Ni,Co)O2, have drawn much attention as a cathode material for the lithium-ion battery. Electrochemical properties of these oxides are supposed to be affected by the local cation configurations in the crystals, and thus the local structures have been studied actively by various methods, like NMR, extended X-ray absorption fine structure (EXAFS) technique and pair distribution function (PDF) fitting.
In this study, we perform the Reverse Monte Carlo (RMC) modelling using the Bragg reflections and total scatterings simultaneously for an analysis on atomic configurations of crystalline lithium transition-metal oxides. Based on the result, we try to determine average (periodic) and local (non-periodic) atomic configurations at the same time.

EXPERIMENTAL

In this work, a lithium transition-metal oxide LiNi0.5Mn0.5O2 was synthesized. The sample was identified preliminarily by laboratorial X-ray diffraction measurement, and the metal composition was evaluated by the inductively-coupled plasma (ICP) technique. Neutron total scattering pattern of the sample was recorded with HIPPO installed at LANSCE, USA. From the pattern, the normalized reciprocal space data, F(Q), and the real space data, G(r), were obtained. By using these data and the neutron Bragg reflections, we performed the RMC modelling with RMCProfile. A rhombohedral simulation box of 2400 atoms, Li600Ni300Mn300O1200, was used in the modelling, and then the atomic configuration was simulated.

RESULTS AND DISCUSSION

From laboratorial X-ray diffractions, it was confirmed that the LiNi0.5Mn0.5O2 had the layered rock-salt structure (space group: R-3m). The ICP analysis demonstrated that the analytical molar ratio of Li and the transition-metal ions was in good agreement with the nominal composition.
For the sample, we measured neutron total scattering pattern and then performed the RMC simulation using the Bragg reflection, F(Q) and G(r). In the analysis, F(Q) was degraded by convolution in order to take the finite cell size into account, which is denoted as F
conv.(Q) in this work. Fig. 1 shows the RMC simulation result for the F
conv.(Q). as an example. This result demonstrates that the RMC simulation was successfully carried out by using the data set mentioned above. Fig. 2 shows partial radial distribution functions, g(r), of Li-O, Ni-O and Mn-O. It is found that average bond distances of Ni-O and Li-O are the same essentially, but that of Mn-O is shorter than the others. This tendency can be explained well by differences in the ionic radii of Li+, Ni2+ and Mn4+ with 6-fold coordination. From distribution of the bond angles, it is suggested that Ni and Mn forms a local ordering in the transition-metal layer.
Electrochemical Properties of Si-Alloy/Graphite/Carbon Nanotubes Blending Electrode for Li-Ion Batteries
Authors: Park Cheol-Ho , Kim Seon-Kyong , Choi Young-Pil , Kim Min-Hyun , Kim Young-Nam , Kim Yoon-Keun 
Published: February 2020

Si-based alloy[1] is one of the most promising anode materials for substituting graphite due to its excellent characteristics such as high gravimetric capacity exceeding 1000mAh/g, high safety, good electrochemical stability and low production cost, etc. Currently, graphite anode material is widely used with water-based SBR binder in commercial Li-Ion Batteries and its electrode capacity is about 350mAh/g. In order to increase the energy density of anode electrode there have been many attempts of blending small (less than 10%) quantity of Si-based anode materials with graphite without changing water-based SBR binder system.
In this study, we made Si-alloy/Graphite/Single-walled Carbon nanotubes(SWCNTs) blending electrode and evaluate the electrochemical properties. In case of 8% of Si-alloy / 89% of Graphite / 0% SWCNT / 2% of SBR /1% of CMC electrode, the initial discharge capacity is 387mAh/g, initial the coulombic efficiency is 86.2% and the capacity retention after 50th cycle is 80.7%. In case of 8% of Si-alloy/89.7% of Graphite/ 0.3% SWCNT/ 2% of SBR /1% of CMC electrode, the initial discharge capacity is 393.5mAh/g, the initial coulombic efficiency is 88.4% and the discharge capacity retention after 50cycle is 99.2%.
This improvement in the electrochemical properties of the SWCNT added electrode was mainly attributed to the good electric contact between Si-alloy particles and graphite particles during cycles. In other words, the main cause of initial capacity lose in Si-alloy/Graphite blending electrode is to lose electric contact due to the volume change of Si-alloy. This result gives many hints to improve Si-based anode materials.
[1] M. Kim et al. Journal of Electroanalytical Chemistry 687 (2012) 84-88
Lithium Powder Electrode As Anode in Lithium-Oxygen Batteries
Authors: Hwang Sunwoo , Cho Sung Man , Koo Bon Seok , Yoon Woo Young 
Published: February 2020

The rechargeable non-aqueous lithium-air (O2) battery system is a promising to apply the large scale storage system such as electric vehicle. It can store much higher theoretical energy density than regular Li-ion batteries. Nevertheless this advantage, Li-O2 cell has the problems such as polarization of the oxygen reduction reaction (ORR), decomposition of the organic electrolyte and dendrite growth on the Li metal anode. Li dendrite can make dead Li which significantly drop the cycle retention. Also Li dendrite growth can occurs the unstable solid electrolyte interface (SEI) layer, it is promote the electrolyte decompose. In this study we use Li powder electrode (LPE) instead of the Li metal anode.
The Li powder was made by droplet emulsion technique (D.E.T) (the diameter of lithium powder is 10μm). A Li powder was revealed effective to reduce dendrite growing by the previous study of our group. To make the LPE, we loaded 20mg Li powder on the 15 Φ Sus-mesh and pressed 20kgcm-2. To compose the O2 cathode, Poly (vinylidene fluoride) (PVdF), Ketjen black (KB) carbon and MnO2 catalysts were mixed by 2: 4: 4 wt. %. The current collector of O2cathode was Ni foam and punched 14 Φ. The electrolyte was used by a 1M LiTFSI in TEGDME. The morphology of electrode was pictured by field emission scanning electron microscope (FE-SEM).
To estimate the galvanostatically electrochemical properties we analyze the impedance data, voltage profile and cycle data. The rate of current is 100mAg-1 and limited the time at 10 hours in charge and discharge respectively. In voltage profile we check there a stable cycle process until 40cycles. Li powder has much stable interface reaction than Li metal, it can possible to reduce the over potential at the charge/discharge and make good cycle ability. To analyze the morphology and chemical reaction after cycle was estimated by the FE-SEM, TEM, XPS and FT-IR.
Reference to a journal publication
[1] G. Girishkumar, B. McCloskey, A. C. Luntz, S. Swanson and W. Wilcke, J. Phys. Chem. Lett.1 2193-2203. (2010)
[2] S. A. Freunberger, Y. Chen, N. E. Drewett, L. J. Hardwick, F. Barde and P. G. Bruce, Angew. Chem. 50, 8609-8613. (2011)
[3] J. G. Zhang, D. Wang, W. Xu, J. Xiao and R. E. Williford, Journal of Power Sources 195, 4332-4337. (2010)
[4] S.K Kong, B.K. Kim and W.Y. Yoon, Journal of the Electrochemical Society 159, A1551-A1553. (2012)
Model-Based Analysis of a 12V Dual-Battery System for Design Optimization of Microhybrid Vehicles
Authors: Zhang Zhenli , Rick Anthony , Sisk Brian C 
Published: February 2020

12V microhybrid (MHEV) technology has potential to deliver 5-10% fuel economy improvement over traditional gasoline vehicles without adding excessive cost to the consumer. Parallelizing the traditional lead acid battery with a high-power lithium ion battery has the potential to enable critical microhybrid function such as regenerative braking. Enabling a low-cost passive connection between the lead-acid and lithium-ion batteries requires compatibility between the two batteries, including design factors such as battery size, resistance, and open-circuit voltage (OCV).
In this work we have developed a dual-battery model that couples an electrochemical model of a lithium ion battery and an equivalent circuit model of a lead acid battery in order to perform design optimization of a passively-connected dual-battery MHEV system. We analyzed the dynamic responses of the two batteries upon high power charge and discharge pulses, with and without simulated vehicle accessory loads. The current split between the two batteries is explored in detail as a function of pulse characteristics, operating voltage, and accessory load. Finally, a simulated vehicle regulatory drive cycle, specifically the New European Driving Cycle (NEDC), is implemented for analysis of contributions of two batteries.