bluuebunny/crossref_metadata_2025_split huggingface dataset:
Synthesis of TiOx Nanotubular Arrays with Oxygen Defects As High-Performance Anodes for Lithium Ion Batteries
Authors: Chi Shang-Sen , Fan Li-Zhen 
Published: February 2020

As a promising safe electrode material for high-power lithium ion batteries, the specific capacity of TiO2 anode up to date is still limited. In this work, we have demonstrated a facile electrochemical anodization for TiOx
nanotubular arrays of oxygen defects in the nitrogen atmosphere. In comparison with those fabricated in air condition, the as-prepared nanotubular arrays present much reduced impedance with oxygen defects, which allow fast electronic and ionic transport in the TiOx
nanotubular arrays. The binder-free anode based on the as-prepared TiOx
nanotubular exhibited the record-setting capacities (395, 325, and 235 mAh g-1 at 0.2 C, 1 C and 10 C, respectively) achieved in the TiO2-based anode materials, therefore approaching state-of-the-art for TiO2 electrodes in the lithium ion batteries.
Reference
[1] Li-Zhen Fan, Shang-Sen Chi, Lu-Ning Wang, Wei-Li Song, Min He, Lin Gu. Synthesis of TiOx Nanotubular Arrays with Oxygen Defects as High-Performance Anodes for Lithium-Ion Batteries. ChemElectroChem, 2015, 2(3): 421-426.

Figure 1
Operando Mössbauer Spectroscopy for Li- and Na-Ion Batteries Investigations
Authors: Sougrati Moulay-Tahar , Jumas Jean-Claude , Stievano Lorenzo 
Published: February 2020

In the last decade, a growing number of Mössbauer papers dealing with Li-ion batteries have been published.[1] As for other Material Science branches, this technique is first used in each of the steps leading to the synthesis of innovative materials. Moreover, Mössbauer spectroscopy is almost routinely used for ex situ and in situ investigations of the electrochemical behavior of electrode materials containing the common Mössbauer isotopes 121Sb[2]
119Sn[3] and more frequently 57Fe[4].
In this presentation, we will see how Mössbauer spectroscopy has became indispensable for optimizing the synthesis routes as well as the performances of functional materials. Through examples from our group and other published work, we will illustrate the importance of this technique for batteries study.
Many iron compounds will be presented (LiFe1-xMnxSO4F, LiFe1-xMnxPO4, FeOF etc). Among them, the newest cathode material LiFeSO4F can be given as a pedagogic example showing the role that can be played by Mössbauer spectroscopy in the preparation of this phase, its characterization, and the fabrication of polymeric electrode[5] (figure 1).
Tin containing phases for negative electrode have been intensively studied by Mössbauer spectroscopy. We will browse briefly the published work and finish with the detailed example of TiSnSb (figure 2).
The complementarity of Mössbauer spectroscopy and X-ray diffraction will be illustrated via the examples of the layered oxide Li4FeSbO6
[6] and the mixed valence borophosphate (NH4)0.75Fe(H2O)2 [BP2O8]•0.25H2O[7].
Finally, the 1st examples of the use of synchrotron radiation (SMS, NFS) for batteries investigation will be presented.
References:
[1] J. C. Jumas and P. E. Lippens, Mössbauer Effect Reference and Data Journal 2010, 33.
[2] C. Villevieille, C. M. Ionica-Bousquet, J. C. Jumas, and L. Monconduit, Hyperfine Interactions 2008, 187, 71.
[3] F. Robert, P. E. Lippens, J. Olivier-Fourcade, J. C. Jumas, F. Gillot, M. Morcrette, and J. M. Tarascon, Journal of Solid State Chemistry 2010, 180, 339.
[4] Ou Mao, R. A. Dunlap, I. A. Courtney, and J. R. Dahn, Journal of The Electrochemical Society 1998, 145, 4195.
[5] M. Ati, Moulay T. Sougrati, N. Recham, P. Barpanda, J. B. Leriche, M. Courty, M. Armand, J. C. Jumas, and J. M. Tarascon, Journal of The Electrochemical Society 2010, 157, A1007.
[6] E. McCalla, A. Abakumov, G. Rousse, M. Reynaud, M. T. Sougrati, B. Budic, A. Mahmoud, R. Dominko, G. Van Tendeloo and R. P. Hermann, Chemistry of Materials
2015, JUST ACCEPTED.
[7] L. Tao, G. Rousse, M. T. Sougrati, J.-N. Chotard and C. Masquelier, The Journal of Physical Chemistry C
2015, 119, 4540–

Figure 1
X-Ray Diffraction and Absorption Spectroscopy Investigations of Lithium Excess Cathode Material
Authors: Murphy Michael J. , O'Hanlon Daniel C. , Croy Jason R. , Balasubramanian Mahalingam 
Published: February 2020

Li-excess oxides are promising Li-ion battery cathodes, which when charged to high voltages, can display capacities in excess of the theoretical contribution of the redox active transition metal components. This behaviour has previously been attributed to the partial oxidation of the oxygen sublattice upon Li removal, leading to the release of O2 gas and often accompanied by structural transformations, low coulombic efficiency and poor cycling. Recently, new materials displaying reversible redox behaviour of the oxygen sublattice have been reported, leading to Li-rich cathodes with improved structural stability and alternate charge compensation mechanisms.[1-3]
This study investigates the charge compensation mechanisms and degradation pathways related to oxygen redox activity and oxygen loss in Li-excess cathodes at varying states of delithiation. In order to effectively study the materials in varying states of delithiation, bulk samples free from carbon, binder and electrolyte have been prepared using a range of chemical oxidants and characterised by high-resolution X-ray diffraction, X-ray absorption spectroscopy and electrochemistry techniques.
[1] Yabuuchi, Naoaki, et al. "High-capacity electrode materials for rechargeable lithium batteries: Li3NbO4-based system with cation-disordered rocksalt structure." Proceedings of the National Academy of Sciences 112.25 (2015): 7650-7655.
[2] McCalla, Eric, et al. "Visualization of OO peroxo-like dimers in high-capacity layered oxides for Li-ion batteries." Science 350.6267 (2015): 1516-1521.
[3] Urban, Alexander, and Gerbrand Ceder. "A disordered rock-salt Li-excess cathode material with high capacity and substantial oxygen redox activity: Li1.25Nb0.25Mn0.5O2." Electrochemistry Communications 60 (2015): 70-73.

Acknowledgment

Support for this work from the Office of Vehicle Technologies of the U.S. Department of Energy, in particular, David Howell and Peter Faguy, is gratefully acknowledged. Sector 20 facilities at the Advanced Photon Source of Argonne National Laboratory, and research at these facilities, are supported by the U.S. DOE, Basic Energy Sciences, and National Sciences and Engineering Research Council of Canada and its founding institutions. 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. 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.
Keeping Cool with Hot Stuff: Safe Collection, Transport and Recycling of Lithium Batteries
Authors: Kross Sebastian 
Published: February 2020

With advanced development, e.g. in the field of information technology, telecommunication and e-mobility, the use of lithium batteries is constantly growing and will continue to grow even more during the years to come. Due to their chemical composition and their high energy content, lithium batteries must be handled safely in order to avoid possible hazards. In the context of extended producer responsibility and the taking back of waste lithium batteries this poses a particular challenge for storage, transport and recycling processes.
Objective:
The strict regulatory framework in Europe sets high standards for the transport (ADR) and recycling (European Battery Directive) of waste lithium batteries. As Europe’s leading service provider for the taking back of used batteries GRS Batterien’s mission is to provide practical end-to-end solutions to its 170,000 collection points and to numerous business partners for logistic and recycling services. The aim is to sustain and further improve the proper, safe and compliant battery collection.
Results:
GRS Batterien has developed and implemented innovative processes and products to address the needs of all actors in the reverse supply chain for the taking back of used lithium batteries. As the first player in the market GRS Batterien introduced a special transport packaging and obtained the required approval from competent authorities, allowing the safe and compliant transport of damaged lithium batteries with a gross mass exceeding 500 g, independently of their type or chemistry. A proprietary calculation model is utilized to simulate the energetic and chemical impact of a thermal runaway based on a worst case scenario. Specially trained and equipped 3PL service providers are acting as qualified carriers for damaged and defective lithium batteries, applying a sophisticated quality control process. As a result, GRS Batterien is able to safely collect, ship and recycle lithium batteries of various types - from small portable batteries via batteries from e-bikes or gardening tools through to industrial batteries from electric vehicles or smart energy storage systems.
Conclusions:
During the recent few years GRS Batterien's innovations have significantly improved the collection, the transport and the recycling of lithium batteries. However, additional work will be necessary to further simplify the handling of used lithium batteries. GRS Batterien continues to facilitate improvements, e.g. with R&D activities to develop more efficient recycling technologies or with additional services in related areas.
Reduced Graphene Oxide Wrapped TiNb2O7 Microsphere Anode Piled up with Nanocrystalline Neatly for High Rate Performance and Cycle Stability in Lithium Ion Batteries
Authors: Noh Hana , Lee Yongho , Mun Junyoung , Choi Wonchang 
Published: February 2020

Lithium ion battery (LIB) has been interesting in a variety of applications especially for electric vehicles (EV), and hybrid electric vehicles (HEV). Commercialized graphite is used for a representative anode material but has still problems which are the formation of solid electrolyte interphase (SEI) layer and some decomposition in low flat potential. Therefore, SEI is attributed to decrease a capacity of cycle in first few cycle as well as not to transfer lithium ion for high C rate.[1] Due to the lack of potential candidates, TiNb2O7 (TNO) has been investigated as one of the promising next candidates since first proposed as a novel anode material by Goodenough in 2011.[2] TNO anodes display an operational potential larger than 1.0 V (versus Li/Li+), which should avoid the formation of the SEI layer.[2-5] Herein, we reported that wrapping reduced graphene oxide (rGO) around micron sized TiNb2O7 is designed for enhancing the electrochemical properties owing to the greatly conductive material and micro-sized structure. The reduced graphene oxide-wrapped TiNb2O7 microspheres (rGO-TNO MS) have been synthesized by adding formic acid for fabricating microspheres and then wrapped by rGO using cetyltrimethylammonium bromide (CTAB). The formic acid is desirable as an acid catalyst and when tested as an anode material for lithium ion batteries, the rGO-TNO MS shows a high reversible capacity of 242.97 mAh g-1 ­at 0.1C (38.7mAh g-1) and 93.33% of the coulombic efficiency of rGO-TNO MS. Moreover, rGO-TNO MS is specialized for high C rate (100 C) and sustain long cycle stability after 500cycle indicating that is a promising candidates for application in high rate lithium ion storage systems.
References
[1] B. Guo, X. Yu, X.-G. Sun, M. Chi, Z.-A. Qiao, J. Liu, Y.-S. Hu, X.-Q. Yang, J.B. Goodenough, S. Dai, Energ. Environ. Sci., 7 (2014) 2220-2226.
[2] J.-T. Han, Y.-H. Huang, J.B. Goodenough, Chem. Mater., 23 (2011) 2027-2029.
[3] K. Tang, X. Mu, P.A. van Aken, Y. Yu, J. Maier, Adv. Energy Mater., 3 (2013) 49-53.
[4] X. Lu, Z. Jian, Z. Fang, L. Gu, Y.-S. Hu, W. Chen, Z. Wang, L. Chen, Energ. Environ. Sci., 4 (2011) 2638-2644.
[5] L. Fei, Y. Xu, X. Wu, Y. Li, P. Xie, S. Deng, S. Smirnov, H. Luo, Nanoscale, 5 (2013) 11102-11107.
Evaluation of the Durability of a Metal-Organic Framework Catalyst in High-Temperature Proton Exchange Membrane Fuel Cells (HT-PEMFCs)
Authors: Miller Todd , Pavlicek Ryan , Mukerjee Sanjeev 
Published: February 2020

A non-pgm Metal Organic Framework (MOF) catalyst was evaluated for durability in the high-temperature environment associated with HT-PEMFCs under various conditions. Due to the higher PGM loading typically required for these systems, it is an ideal candidate for research regarding non-PGM catalysts. However, a common issue regarding non-PGM materials is their lack of durability in the low temperature humidified environment of a PEMFC, and until these issues are resolved, it will continue to provide a hindrance towards mass commercialization. Prior work had demonstrated the high performance of this particular catalyst[1], initially in RDE and low temperature fuel cells, and now in HT-PEMFCs. Membrane Electrode Assemblies (MEAs) were tested at 200˚C using a commercial polybenzimidazole (PBI) membrane, and were evaluated under several durability criteria, including constant voltage testing at various potentials (for demonstration of prolonged use), temperature cycling (to mimic startup/shutdown) and corrosion testing to evaluate losses in these primarily carbon-based materials. Early indications demonstrate a highly stable catalyst, as after nearly 40 hours of non-continuous chronoamperometric testing, the fuel cell demonstrated negligible performance losses at 650mV in air at 2.5bar total pressure.

Acknowledgment:
The authors gratefully acknowledge the financial support from the Department of Energy-Energy Efficiency and Renewable Energy, Fuel Cell Technology Office under an Incubator grant (DE-EE0006965). Use of the Stanford Synchrotron Radiation Light source, SLAC National Accelerator Laboratory, is supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Contract No. DE-AC02-76SF00515. Use of Beamline 2-2 at SSRL was partially supported by the National Synchrotron Light Source II, Brookhaven National Laboratory, under U.S. Department of Energy Contract No. DE-SC0012704. Use of the beamline 9-BM in Advanced Photon Source, an Office of Science User Facility operated for the U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory, was supported by the U.S. DOE under Contract No. DE-AC02-06CH11357. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.
References
1. Strickland, K., et al., Highly active oxygen reduction non-platinum group metal electrocatalyst without direct metal-nitrogen coordination. Nat Commun, 2015. 6.

Figure 1
The Effects of Aging on the Tortuosity of Li-Ion Battery Electrodes
Authors: Knight Hannah , Pouraghajan Fezzeh , Wheeler Dean R , Mazzeo Brian A 
Published: February 2020

Li-ion battery performance is greatly affected by how well ions travel through the electrodes, which in turn depends on the microstructure of the porous pathways through the electrodes. During cell formation and cycling, changes in the microstructure therefore lead to changes in ionic transport. Currently what causes these changes and their magnitude is poorly understood. Changes in effective ionic conductivity and diffusivity can measured in terms of tortuosity, a dimensionless geometric factor.
This report focuses on the effect of cell assembly and repeated cycling on tortuosity. Using a method previously developed by our group, namely the polarization-interrupt method [1], as well as AC impedance techniques, we were able to determine electrode tortuosity for various electrode films. There is clear evidence of changes in tortuosity during cell formation and cycling steps. These experiments also suggest that electrolyte wetting is a time-dependent process that changes the measured tortuosity.
Three different stages of electrodes were compared: (1) pristine electrodes which had never been in contact with electrolyte, (2) electrodes harvested from newly assembled batteries, and (3) electrodes harvested from cycled batteries. This was done for both anodes and cathodes. In the case of the harvested electrodes, a careful washing procedure is needed to remove Li salt. To validate our results we used two different experimental methods, namely the polarization-interrupt method and a blocking-electrolyte method recently discussed by Gasteiger and coworkers [2].
This research was funded by the BMR program of the US Department of Energy.

[1] Zacharias et al. , J. Electrochem. Soc. 160, A306 (2013).
[2] Landesfeind et al., J. Electrochem. Soc. 163, A1373, (2016).
Fig. 1 SEM/FIB cross section of Li-ion anode showing tortuous paths created by the pores in between active material.

Figure 1
Determination of Mechanical Properties of Battery Films from Acoustic Measurements
Authors: Dallon Kathryn L , Wray Michael , Wheeler Dean R , Mazzeo Brian A 
Published: February 2020

Measuring the mechanical properties of lithium-ion battery films, such as thickness and elasticity, is important for predicting and improving homogeneity of the film and performance of the battery. Problems with film heterogeneity could be identified and addressed early on through accurate, non-destructive inspection of the electrode as it is being manufactured. There are several techniques currently used to measure the mechanical characteristics of films, including nanoindentation and laser-induced surface acoustic waves (SAW). However, their use for analyzing battery electrodes is fairly limited.
This research investigates the use of acoustic measurements as an alternative means of non-destructive quality control that could be adapted for on-line use. Mechanical properties of thin films, including elastic modulus and thickness, have been determined using SAW [1,2]. Additionally, acoustic time-of-flight measurements have been taken on complete battery cells to find the state of charge [3]. Here we report on our efforts to measure mechanical properties with SAW. A film under tension is excited to produce a wave. This wave is measured at multiple points along the film to determine the speed of the wave. Because wave dispersion is based on properties such as elasticity and density, we can calculate mechanical properties of the film from the wave speed measurements.
Preliminary results indicate that acoustic tests can demonstrate observable differences between films with different properties, and that changes in the stiffness of the film (such as what happens during the drying process for battery films) can also be detected as a difference in wave speed.

References

[1] Chow et al., Mech. Mater. 91, 333-342 (2015).
[2] Gillinger et al., Appl. Phys. Lett. 108, 231601 (2016).
[3] Hsieh et al., Energy Environ. Sci. 8, 1569-1577 (2015).

Acknowledgements

This work was supported by the U.S. Department of Energy through the BMR program.

Figure: Illustration of apparatus for wave speed measurements of a film.

Figure 1
Predicting the Electrochemical Response of Pseudocapacitor Electrodes Under Realistic Conditions from First Principles
Authors: Keilbart Nathan D. , Okada Yasuaki , Higai Shinichi , Dabo Ismaila 
Published: February 2020

Pseudocapacitors are energy-storage devices characterized by fast and reversible redox reactions that enable them to store large amounts of electrical energy at high rates. We simulate the response of pseudocapacitive electrodes under realistic conditions to identify the factors that determine their performance, focusing on ruthenium dioxide as a prototypical electrode material. Electronic-structure methods are used together with a self-consistent continuum solvation model to build a complete database of free energies as the surface of the charged electrode is gradually covered with protons under applied voltage. The resulting database is exploited to compute hydrogen-adsorption isotherms and charge--voltage responses by means of grand-canonical sampling, finding close agreement with experimental voltammetry. These simulations reveal that small changes in the intrinsic double-layer capacitance on the order of 5 μF/cm2 induce considerable variations of as much as 40 μF/cm2 in the overall interfacial pseudocapacitance.
Engineering Solutions to Dendrite Formation in Lithium Anode Based Batteries
Authors: Jampani Hanumantha Prashanth , Gattu Bharat , Murugavel Shanthi Pavithra , Datta Moni Kanchan , Kumta Prashant N 
Published: February 2020

Dendrite formation, resulting in gradual capacity loss culminating in cell shorting and failure is the primary problem preventing large-scale utilization of lithium anodes in lithium-anode based batteries (LABs) (1). The use of lithium metal anodes (LMA) for battery applications is largely hindered by the massive volumetric change and inhomogeneous nucleation associated with lithium plating/deplating. Dendrite formation in lithium is a major stumbling block halting the progress of high energy battery systems such as lithium-sulfur and lithium-air batteries.
In this work, a unique approach is used to address both dendritic growth and volumetric changes associated with plating/deplating of large volumes of lithium. Using a Li-rich structurally isomorphous alloys (SIA) with alloying elements specifically forming isomorphous alloy states capable of undergoing lithiation/delithiation without loss in phase and/or crystallographic structure is shown to have stable dendrite-free cycling (Figure 1) for over 200 cycles with capacities of >15 mAh/cm2 (~1627 mAh/g). This presentation will outline this highly efficient method of storing and removing lithium with no dendritic growth demonstrating its promise for opening new frontiers in high power lithium-anode based battery research.

Figure caption:

Figure 1: SEM images of the morphology of (a) lithium electrode and (b) Li-SIA electrode cycled at a current density~100 mA/g (125 cycles) (c) Li-SIA electrode cycled at current density~100mA/g (125 cycles). A clear absence of dendritic structures is observed in the Li-SIA electrode.

References

1. J. Steiger, Mechanisms of Dendrite Growth in Lithium Metal Batteries, in, Karlsruhe, Karlsruher Institut für Technologie (KIT), Diss., 2015 (2015).

Figure 1