bluuebunny/crossref_metadata_2025_split huggingface dataset:
Investigation of High Energy Density Anode Materials Based on Sio-Sncoc in Full Cell Configuration
Authors: Abouimrane Ali , Liu Bo , Amine Khalil 
Published: February 2020

State-of-the-art lithium ion battery technology is being developed for large scale applications such as electric vehicles (EVs) and hybrid electric vehicles (HEVs). For this purpose, lithium ion batteries must have long term cycling performance with high capacity. The graphite which is currently used as an anode material has a capacity of about 372 mAhg-1 where lithium forms graphite intercalation compounds LiC6 with excellent reversibility. Ongoing research efforts have focused on utilizing various materials (oxides, alloys, tin, silicon) to increase battery capacity, cycle life, and charge-discharge rates. Attention has been recently given to the potential of metal oxide anodes for lithium-ion batteries because of their low price and their high theoretical capacities (more than 600 mAhg-1). However, these anode materials suffer from their poor cycleability due to the volume expansion of the lithiated material. New materials based on the mixture of MaOb oxides (M: Si, Sn, Mo, Ge) and SnxCoyCz alloys were prepared and tested as anodes for lithium batteries. In the MaOb - SnxCoyCz composite, SnxCoyCz will play the role of buffer for MaOb anode and improve its cyleability and MaOb will provide more capacity. In full cell configuration, this study will focus on the cheapest SiO- SnxCoyCz system. We used ultra-high energy ball milling (UHEM) methods to prepare SiO-Sn30Co30C40 anode materials. This anode material is tested in full cell configuration using the 5V LiNi0.5Mn1.5O4 spinel, NMC and ANL-NMC materials. The results of these investigations will be presented.
The submitted abstract 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.
Optimization of the Cathode Microstructure in Lithium Air Batteries through Multiscale Physical Modeling
Authors: Xue Kan-Hao , Franco Alejandro A. 
Published: February 2020

The performance of lithium air battery depends not only on the proper choice of cathode and electrolyte materials [1], but also on the geometric and microstructural optimization of the cathode. Physical modeling and numerical simulation afford straightforward ways to investigate possible schemes for performance improvement [2]. Here we report the galvanostatic discharge simulation results of several techniques: (i) a bi-layer cathode consisting of a high specific surface area porous material (e.g. Ketjen black carbon) and a large average pore radius porous material (e.g. Super P carbon); (ii) gradient of porosity across the cathode thickness, where the porosity varies linearly from the separator to the air inlet. In case (i), either the high specific surface material or the large pore radius material is arranged near the air inlet. The performance of the cell mainly depends on the cathode material near the air inlet. In case (ii), allocating larger porosity near the air inlet leads to both a higher cell voltage and a larger discharge capacity. Finally, we propose to insert a porous polymer "oxygen diffusion channel" into the active cathode materials. This channel is free of pore choking, since it is inactive in oxygen reduction reaction due to the absence of conduction electrons. Hence, a compromise may be reached between high surface area and smooth oxygen flow. The possible benefits and drawbacks of this scheme are discussed.
[1] M. M. O. Thotiyl, S. A. Freunberger, Z. Peng, Y. Chen, Z. Liu, and P. G. Bruce, Nat. Mater. 12(11), 1050 (2013).
[2] A. A. Franco and K.-H. Xue, ECS J. Solid State Sci. Technol. 2(10), M3084 (2013).
Fe Incorporated Near-Amorphous Mn Oxide for Mg Rechargeable Batteries
Authors: Chang Won-seok , Kim Jusik , Lee Jaemyung , Lee Seoksoo , Ryu Young-gyoon , Doo Seokgwang 
Published: February 2020

The researches toward more efficient, cost-effective and environmentally benign energy materials have been accelerated with successful utilization of Li ion battery technology to consumer electronics. Mg has been suggested as one of strong candidates due to several reasons. It is more abundant on Earth and safer than Li since it does not form the dendrites. Since the reversible behavior of Mg in the Grignard agents was revealed by Aurbach et. al..1 Many research groups have reported studies with various cathode materials with specific crystal structure such as Chevrel structure.2,3

In this study, Fe incorporated Mn oxide was synthesized via simple cost-effective co-precipitation method. Unlike the preceded studies, crystalline nature of the obtained material was near-amorphous. As given in Figure 1(a), every sample synthesized via co-precipitation method exhibited an amorphous nature. For optimization of electrochemical performance, Fe addition amount was controlled from 0.1 M to 0.3 M. Each sample was galvanostatically cycled from 1 V to 4 V vs. Mg in 0.5 M Mg(ClO4)2in propylene carbonate.
Figure 1(b) shows the voltage profile at 1st cycle of no Fe contained, 0.1 M, 0.2 M and 0.3 M added sample. The capacity of 0.3 M added Fe (Best result) increased 33% with 91% coulombic efficiency compared to no Fe added oxide. Also, the charging potential showed a difference of 0.23V between no Fe added and 0.3 M Fe added sample. It is attributed to the pillar effect4 which supports the oxide structure during cycling.

References

1. D. Aurbach, Z. Lu, A. Schechter, Y. Gofer, H.
Gizbar, R. Turgeman, Y. Cohen, M. Moshkovich
and E. Levi, Nature
407, 724-727 (2000)
2. E. Levi, G. Gershinsky, D. Aurbach, O. Isnard and G. Ceder, Chem. Mater.
21, 1390-1399 (2009)
3. Eli Lancry, E. Levi, Y. Gofer, M. D. Levi, D. Aurbach, J. Solid State Electrochem.
9, 259-266 (2005)
4. H. Liu, Q. Cao, L. J. Fu, C. Li, Y. P. Wu, H. Q. Wu, Electrochem. Comm.
8, 1553-1557 (2006)
Model Based Optimal Control Strategies for Lithium-Ion Batteries -Theoretical Analysis of Performance Gains
Authors: Suthar Bharatkumar , Northrop Paul W. C. , Santhanagopalan Shriram , Subramanian Venkat R. 
Published: February 2020

Battery Management Systems (BMS) monitor and control the energy flow of a battery in such a way that the energy is used optimally, while preventing damage and ensuring overall safety (1). For the BMS to function efficiently it is necessary to have knowledge of the internal states of the battery, which can be described by: the State-of-Charge (SoC), the State-of-Health (SoH) and the remaining runtime (tr). The accurate determination of these above mentioned parameters are critical for the optimal use of batteries and helps avoid over-engineered batteries.
Physics-based models (2, 3) that incorporate most of the transport and kinetic phenomena affecting the internal states of a lithium ion battery are in the form of coupled nonlinear partial differential equations (PDEs). While these models are accurate in terms of prediction capability, they cannot be employed for online control and monitoring purposes due to their huge computational expense. The reformulated model (4) is capable of predicting the internal states of battery with simulation times in the order of milliseconds without compromising on accuracy for the entire discharge period. This talk will demonstrate the use of the reformulated model for control-relevant real-time applications. Experiments will be performed at wide range of temperature (-170 C to +300 C) to obtain thermal dependence of transport and kinetics parameters. An experimentally validated, reformulated pseudo two dimensional model (4) will be used to derive optimal charging profiles at different temperatures.
Control strategies based on both (1) charging current alone with temperature as a constraint and (2) charging current and temperature/heat flux as a control will be analyzed aiming to quantify performance gains from the model based control strategies.

Acknowledgements

The work presented herein was funded in part by the Advanced Research Projects Agency – Energy (ARPA-E), U.S. Department of Energy, under Award Number DE-AR0000275.

References

1. V. Pop, H. J. Bergveld, D. Danilov, P. P. L. Regtien and P. H. L. Notten, Battery management systems: accurate state-of-charge indication for battery powered applications, Springer Verlag (2008).
2. M. Doyle, T. F. Fuller and J. Newman, J. Electrochem. Soc., 140, 1526 (1993).
3. T. F. Fuller, M. Doyle and J. Newman, J. Electrochem. Soc., 141, 1 (1994).
4. P. W. C. Northrop, V. Ramadesigan, S. De and V. R. Subramanian, J. Electrochem. Soc., 158, A1461 (2011).
Fundamental Limitations on Fast Charging of Li-Ion Batteries
Authors: Ji Yan , Wang Chao-Yang 
Published: February 2020

Long charging time has been a major hurdle of battery-powered electric vehicles (EV). Compared to traditional combustion engine vehicles whose fuel tank can be filled up in less than 5 minutes, EV requires hours to get a full recharge.
A few attempts on reducing charging time of Li-ion batteries have been made in the literature. Notten et al.1 suggested that batteries be charged with very high currents for a short period of time, followed by CC-CV protocol. Purushothaman and Landau2 used pulse-charging sequences. Both their works end up with reduced charging time. However, it is still not clear as to, what the fundamental principles underlying fast charging are, what the fastest charging protocol should be, what the fundamental limits on charging time are, and what the most effective optimizations in cell design and material selection are to enable fast charging.
This study aims to shed light on the above questions as well as to reduce the charging time of Li-ion batteries by means of: (1) charging protocol development, (2) cell design and material optimization. Li-ion cell behaviors are simulated by using a one-dimensional electrochemical-thermal (ECT) model, which has been validated against 18650 cells over a wide range of rates and temperatures.3

A new protocol CC-CS (const current – const stoich) has been proposed based on analysis of experimental data. Large charging current is employed during CC period until graphite particle surface stoich reaches a threshold level, above which permanent capacity loss might be induced. The fastest charging protocol is to maintain the surface stoich at that threshold level without incurring lithium plating. As shown in Figure 1, the CC-CS protocol takes less time than the traditional CC-CV method, and also avoids Li plating.
On cell design and material optimization, the rate-limiting mechanisms for fast charging are identified by both theoretical analysis and modeling parameter studies. It is found that solid phase diffusion and electrode transport are the two limitations. More importantly, this study also illustrates how these limitations are related to cell design parameters and material transport properties quantitatively. By alleviating these limitations, charging can be reduced to within 5 minutes, comparable to the time of refilling a fuel tank in gasoline vehicles.

Acknowledgements

Support of this work by DOE CAEBAT project awarded to EC Power and industrial collaborators of ECEC is greatly acknowledged.

References

1. P. H. L. Notten, J. H. G. O. H. Veld and J. R. G. van Beek, J Power Sources, 145, 89 (2005).
2. B. K. Purushothaman and U. Landau, J Electrochem Soc, 153, A533 (2006).
3. Y. Ji, Y. C. Zhang and C. Y. Wang, J Electrochem Soc, 160, A636 (2013).
Simulating Electrochemical Impedance Spectroscopy of Graphite/LiNi0.8Co0.15Al0.05O2 Cathode Cells
Authors: Jaini Rajiv , Fuller Thomas F. 
Published: February 2020

Electrochemical systems have been studied extensively by electrochemical impedance spectroscopy (EIS). Most often, EIS spectra are analyzed with equivalent electrical circuit models. These models combine a preexisting set of electrical components (resistors, capacitors, and constant phase elements) in series and parallel arrangements. It is generally possible to get a good fit between the model and experimental data, but the correspondence between the physical processes in the cell and the circuit elements is sometimes unconvincing.
In this work, we apply a physics-based numerical approach that mimics the process used in some frequency response analyzers (FRA). This FRA method is applied to the dual insertion cell model of Fuller et al.’s [1, 2] and incorporates expressions that describe the solid electrolyte interphase (SEI). A schematic of the FRA implementation is shown in Figure 1.
The model can be used to simulate electrochemical impedance spectroscopy (EIS) by applying a sinusoidal current waveform of frequency, f, and integrating the potential response over an integer number of cycles, N. Impedance can be calculated from the attached equations [3].
EIS data were experimentally measured for LiNi0.8Co0.15Al0.05O2(NCA), half cells and full cells, at different states of charge (SOC). A representative Nyquist plot is shown for an NCA half cell at 25 °C in Figure 2.
Simulation results are compared to experimentally obtained spectra and elucidate the physical processes that lead to distinct semicircles in the EIS spectra. The model proves to be useful in gaining insight on battery life by relating capacity fade, cycling, and state of charge at open circuit voltage conditions.
REFERENCES
[1] Fuller TF, Doyle M, Newman J. Simulation and optimization of the dual lithium ion insertion cell. Journal of the Electrochemical Society. 1994;141:1-10.
[2] Spotnitz R. Simulation of capacity fade in lithium-ion batteries. Journal of Power Sources. 2003;113:72-80.
[3] Setzler BP, Fuller TF. Investigation of Transport Phenomena in PEMFC Through 1-D Macro-Homogeneous Model. ECS Transactions. 2013;58:95-107.
Advanced Planar Li/S Batteries Based on Solid Electrolyte Separators
Authors: Zhao Feng 
Published: February 2020

Rechargeable Li/S batteries have been considered as a prime candidate for powering electric vehicles since the high theoretical capacities of sulfur (i.e., 1,672 mAh/g) and lithium (i.e., 3,861 mAh/g) can enable packaged Li/S cells with two or three times higher energy densities than those of Li-ion batteries. However, the sluggish cathode reactions involving resistant sulfur materials and shuttling of dissolved intermediate polysulfides during cycling result in low capacities (< 1,000 mAh/g) and short cycle life (< 300 cycles).To overcome these formidable challenges, we propose to develop a planar Li/S battery, utilizing a Li-ion conducting ceramic membrane, which can eliminate the issues facing current Li/S batteries and achieve an unprecedented level of cell performance for practical applications.
The presentation provides an overview and progress status on the development of Li/S battery technology.
Direct Growth of RuO2 Nano-Architectures on Current Collectors and Their Improved Performance in Lithium-Ion Batteries
Authors: Meda Lamartine , Navulla Anantharamulu 
Published: February 2020

Lithium-ion batteries have application in wide range of portable devices like cell phones, portable computers, camcorders, I-pods, peristaltic pumps, heart assist devices, oil and gas pipeline robots, seismic survey sensors, tactical communication radios and thermal imaging equipment, and satellite power sources.1,2 They are now projected to automotive industry for electric vehicles (EV’s) and hybrid electric vehicles.3 The common electrode materials of conventional lithium ion batteries are graphite (anode), and LiCoO2 or LiFePO4 (cathode). They have certain limitations such as low capacities, safety issues and cost which hinder their applications.2

RuO2 plays an important role in the family of metal oxides because of its interesting properties such as metallic conductivity, high chemical and thermal stability, catalytic activities, electrochemical redox properties, and field emitting behavior.4 It is one of the most successful electrode material for supercapacitors because of its wide potential window of highly reversible redox reactions, remarkably high specific capacitance, and a very long cycle life.5 In this material, conversion reaction using nanoparticles is also possible and high capacity of 1130 mAh g-1, corresponds to the storage of 5.6 moles of Li ions per mole of RuO2 and high coulombic efficiency (98%) has been observed.6But the material can withstand up to only three cycles due to a large volume expansion.
We have improved the cycle life performance of RuO2 by directly depositing the material on stainless steel current collectors via low pressure chemical vapor deposition. RuO2 nano-architectures were characterized by powder x-ray diffraction and field emission scanning electron microscope. Galvanostatic charge-discharge experiments were performed versus lithium metal in the voltage range 4 - 0.1V. As deposited RuO2 nano-architectures were cycled well over 20 cycles at high capacity beyond the theoretical limit of 806 mAh g-1(Fig. 1). The origin of the extra capacity will be discussed.

Acknowledgements:This work was supported by NSF PREM Award Number DMR-0934111 and NSF-EPSCoR Cooperative Agreement No EPS-1003897

References:

[1]. J.-M. Tarascon, M. Armand. Nature
2001, 414, 359-367.
[2]. A. Manthiram. J. Phys. Chem. Lett. 2011, 2, 176–184.
[3]. J.-M. Tarascon, N. Recham, M. Armand, J.-N. Chotard, P. Barpanda, W. Walker, L. Dupont. Chem. Mater. 2010, 22, 724–739.
[4]. X. Wang, R. G. Gordon. Cryst. Growth Des. 2013, 13, 1316−1321 and references therein.
[5]. V. D. Patake, C. D. Lokhande, O.-S. Joo. Applied Surface Science
2009, 255, 4192–4196.
[6] P. Balaya, H. Li, L. Kienle, J. Maier. Adv. Funct. Mater. 2003, 13, 621-625.
Aging Investigations of Various Electrolytes By Means of IC/ESI-MS and CE/ESI-MS
Authors: Pyschik Marcelina , Naber Verena , Passerini Stefano , Winter Martin , Nowak Sascha 
Published: February 2020

Lithium-ion batteries (LIBs) are already state of the art energy sources for portable electronic devices like mobile phones and laptops. The most important disadvantage of LIBs is the aging of the cell constituents, which minimizes the storage and the cycle lifetime. Reduction, oxidation and chemical degradation of solvents, conductive salts and additives, have a major negative influence on capacity and lifetime. [1-3]

In this work, the thermal decomposition products of electrolytes containing the widely used lithium hexafluorophosphate (LiPF6) as a conducting salt are investigated by two different developed separation methods: Ion Chromatography (IC) (see Figure 1) and Capillary Electrophorese (CE). Both separation methods are coupled by Electrospray Ionization Mass Spectrometer (ESI-MS) identifying developed decomposition products. In Figure 1, some decomposition products of LiPF6 are presented: hydrofluoric acid (HF) and difluorophosphate (PO2F2
-) [4]. We introduced the measurement method CE/ESI-MS for electrolytes to confirm the decomposition products of the already developed IC/ESI-MS method. Beyond that, CE has the advantage that only small amounts (nL range) of electrolytes for injection are required and that it is possible to measure cations and anions in the same measurement.
Most commercial available electrolytes in LIBs are based on organic solvents, there they are easily flammable and a safety risk for people and the environment in case of accident. Ionic liquids (ILs) are discussed as future electrolytes in LIBs because of theirs advantageous physical properties like non-flammability and non-volatility.[5]For the application in future LIBs, it is important to gain more information about their thermal stability and the influence of lithium salts to the aging process of ILs.
Therefore, the effect of electrolyte salts like LiPF6 on the thermal decomposition of ILs is measured as well by our developed CE/ESI-MS and the new IC/ESI-MS methods. In Figure 2, the decomposition products of the ILs PYR13FSI and PYR13TFSI mixed with LiPF6 are illustrated. It is obvious that PYR13TFSI did not show any degradation products mixed with LiPF6, while PYR13FSI showed the following decomposition products: SO3F- and H2NO3S-.

References

[1] S.S. Zhang, J. Power Sources
2006
162, 1379-1394.
[2] H.F. Xiang et al., J. Power Sources
2009
191, 575-581.
[3] S.E. Sloop et al., J. Power Sources
2003
119-121, 330-337.
[4] L. Terborg et al., Anal.
Chim. Acta, 2011, 714, 121-126.
[5] G.B. Appetecchi et al., J. Power Sources, 2006, 153, 1685-1691.
Time Resolved Study on Fabrication of Porous Alumina for Further Use to Generate Metallic Nano Catalyst
Authors: Hussain Tajamal , Shah Asma Tufail , Mujahid Adnan , Nisa Zaib un , Shehzad Khurram 
Published: February 2020

Porous anodic alumina (PAA) is one of the important nanostructured materials. This has gained exposure recently for applications in gas separation[1], drug delivery[2], bone fixation [3] and as a template for formation of nanostructures [4]. Anodic porous alumina is formed by the anodization of Aluminum, which is a self-organized material, to get a layer of nanoporous oxide [5]. This porous anodic aluminum (PAA) membrane consists of a ordered hexagonal arrangement of cells with a central pore per cell that elongates from top to bottom of the layer, resembling a honeycomb [6]. These pores are used as template for synthesis of 1dimensional (1D) nanostructure and hence the degree of ordering of these cell arrangements plays an important role in the homogeneity of the resulting nanomaterials.
Present work focuses on study of anodization as function of time, to see the trend in pore size, pore density and degree of ordering of Anodized Aluminum oxide (PAA) membrane. Proper selection of anodization time and phases allow the tuning of self-ordering regime, control of local catastrophic phenomena and achievement of a more uniform growth. Afterward, self-assembled template has been used for the synthesis of novel ID nanostructure of tungsten trioxide by electroless deposition method. Scanning Electron Microscope (SEM) images depict uniform arrangment of tungsten trioxide nanowire. Internal diameter of formed nanowires is around 50 nm similar to porous diameter of PAA templates. Furthermore XRD patterns of nanowire indicate the presence of two crystalline forms of WO3 i.e. monoclinic and orthorhombic.
References
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515 5184 (2007).
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15 1021 (2004).
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2 677 (2002).
5. W.Chen, J.H. Yuan, X.H. Xia, Analytical Chemistry
77 8102 (2005).
6. H. Masuda, K. Fukuda, Science
268 1466 (1995).