bluuebunny/crossref_metadata_2025_split huggingface dataset:
Phosphorus-Containing Electrolytes - Expansion to Include Phosphoranimines for Li-Ion Batteries
Authors: Dufek Eric J. , Klaehn John R. , McNally Josh S. , Rollins Harry W. 
Published: February 2020

The use of organic carbonates as the principle solvent component in electrolytes for Li-ion batteries (LIBs) has been well established. For low to medium voltage applications these compounds are effective, yet for high voltage applications, issues arise. Other problems, associated with the overall safety and stability of carbonate-based electrolytes, have also been observed. Small and highly oxygenated carbonates are both volatile and combustible. This combination is ill-suited for applications where a high level of safety is desired, such as in electric vehicles. To improve battery safety there has been significant interest in phosphorus-containing electrolytes due to their inherent non-flammability. Included in this broad class of electrolyte components are phosphazenes which contain a phosphorus-nitrogen (P=N) bond. Previous work in the energy storage arena has looked at the use of poly-phosphazenes as electrolyte additives, polymeric electrolytes and as electrode components.
As electrolyte components, poly-phosphazenes, including cyclotriphosphazenes, have been shown effective at mitigating safety issues and in enhancing electrolyte stability.1 While successful, these compounds possess limitations related to total loading capacity in the electrolyte and also experience decreased performance at intermediate cycling rates. In order to alleviate some of the issues associated with the larger cyclotriphosphazenes, recent research has shifted to the investigation of linear phosphoranimines which contain a single P=N unit. These compounds which have lower molecular weight than other poly-phosphazenes, show promise in negating some of the limitations associated with the larger molecules. The initial electrochemical, chemical and physical characterization of phosphoranimines will be presented.

H. W. Rollins, M. K. Harrup, E. J. Dufek, D. K. Jamison, S. V. Sazhin, K. L. Gering, et al., J. Power Sources, 263 (2014) 66-74
Non-aqueous Redox Flow Batteries for Grid Storage
Authors: Brushett Fikile R. 
Published: February 2020

Energy storage is an increasingly valuable asset for electric grids composed of high fractions of intermittent sources, such as solar or wind-generated power, or, in developing economies, unreliable generation and transmission services. Electrochemical technologies offer a pathway to high performance low cost storage but present state-of-the-art systems are too expensive for widespread deployment [1]. This motivates the search for new energy storage concepts with transformational potential. To this end, the Joint Center for Energy Storage Research (JCESR) pursues discovery, design, prototyping, and commercialization of next generation beyond Li-ion batteries [2]. JCESR is targeting electrochemical energy storage at a cost of $100/kWh while achieving a 20-year calendar life of up to 7000 cycles at C/5, and having safety standards comparable to a natural gas turbine. To deliver on these aggressive performance targets, a cohort of JCESR researchers have aligned their R&D activities under the umbrella of the Grid-arc covering the spectrum from discovery to manufacturing. This presentation aims to provide an overview of these activities while highlighting key advances in the pursuit of JCESR’s three Legacies: (1) to advance the library of fundamental knowledge of materials and phenomena of energy storage, (2) to deliver a prototype capable of meeting JCESR’s performance targets, and (3) to establish a new paradigm for battery R&D.

References

[1] R.M. Darling, K.G. Gallagher, J.A. Kowalski, S. Ha, F.R. Brushett, “Pathways to low-cost electrochemical energy storage: a comparison of aqueous and nonaqueous flow batteries”, Energy Environ. Sci., 2014, 7, 3459-3477.
[2] G. Crabtree, “The Joint Center for Energy Storage Research: A New Paradigm for Battery Research and Development”, AIP Conf. Proc., 2015, 1652, 112-128.
Structures, Devices, and Architectures for Nanoscale Solutions in Electrical Energy Storage
Authors: Rubloff Gary W , Lee Sang Bok 
Published: February 2020

Nano science and technology promise enhancement to batteries and capacitors through higher power at given energy, accompanied by new possibilities for better capacity retention and safety. Among the challenges to realize this promise are (1) the design of higher performance electrode and electrolyte materials and (2) the rational design of structures in which these materials are arranged. In Nanostructures for Electrical Energy Storage (NEES, www.efrc.umd.edu), we have focused on the latter, seeking to understand how the structure of components and the architecture in which they are arranged determine the multifunctionality required for electrical energy storage: ion transport and storage, electron transport, and structural stability during charge/discharge cycling.
Precision multistep synthesis has enabled the creation of heterogeneous nanostructures, involving multiple materials to confer the needed multifunctionality and to understand how design influences electrochemical behavior at the nanoscale and storage performance of nanostructures. This is illustrated by several such structures which address fundamental phenomena important at the nanoscale and the mesoscale, including: (1) nanowire and nanotube structures with integrated electron transport components that achieve robust Li cycling despite large volume changes; (2) nanopore battery configurations to assess fundamental limits on ion transport in highly confined environments; (3) solid state electrolyte and battery configurations for scaling safe materials to the nanoscale; and (4) 3D nanostructure forests, both regular and pseudo-random, to analyze mesoscale architectures and new scientific challenges emerging at the mesoscale. These experimental advances have been accompanied by significant modeling and simulation insights, from DFT to continuum levels, and at the same time they pose formidable, important challenges for theory, particularly at the mesoscale.
This work has been supported by Nanostructures for Electrical Energy Storage (NEES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Award Number DESC0001160.

Figure 1
The Role of Ultrathin Coatings on the Interfacial Reactions at LiMn2O4 Surfaces
Authors: Elam Jeffrey W , Amine Khalil , Thackeray Michael M. , Curtiss Larry , Hersam Mark C. , Dravid Vinayak , Wolverton Chris , Gewirth Andrew A. 
Published: February 2020

The spinel lithium manganese oxide (LiMn2O4, or LMO) is an established cathode technology for lithium ion batteries that suffers from a well-known phenomenon whereby Mn dissolves from the surface through the disproportionation reaction of Mn(III), and the subsequent deposition of Mn(II) on the anode. LMO can serve as a model system for exploring various mitigation strategies that will enrich our understanding of electrochemical corrosion at charged interfaces in general and may ultimately lead to better batteries. Consequently, the Center for Electrical Energy Science: Tailored Interfaces (CEES, a DOE-funded Energy Frontier Research Center), is exploring the influence of ultrathin coatings and surface treatments on the interfacial reactivity during lithiation reactions in LMO by combining advanced synthesis, in situ probes, and theory. As part of this effort, we have applied single-layer graphene coatings to LMO films, and discovered that these coatings improve capacity retention following electrochemical cycling. X-ray photoelectron spectroscopy (XPS) depth profiling, reveals that the graphene coating inhibits manganese depletion in the LMO film. Additionally, cross-sectional TEM demonstrates that a stable solid-electrolyte interphase layer is formed on the graphene coating, which screens the LMO from direct contact with the electrolyte, thereby inhibiting dissolution. Density functional theory (DFT) calculations have provided plausible mechanisms for this behavior. In a different effort, we have examined inert metal layers to prevent Mn dissolution. We found that 3-nm-thick Au shells prepared by electroless deposition could reduce Mn dissolution by up to 88%. Similarly, LiAlO2 thin films deposited on LiNi0.5Mn1.5O4 surfaces by atomic layer deposition can improve the electrochemical stability. The LiAlO2 films are 100x more ionically conducting compared to Al2O3, and, consequently, provide a higher discharge capacity compared to Al2O3 and allow for higher rates. Finally, we have explored the role of coherent coatings of a few nm-thick surface LiMn2-xTixO4, deposited on LMO. This approach protects the bulk LMO from acid corrosion but is also electrochemically active and, therefore, maintains the ion and charge transport channels on the surface. The surface-doped LMO has >2-fold improvement in electrochemical performance with respect to uncoated LMO in terms of cyclability and capacity at elevated temperature. In this presentation I will survey these ongoing research efforts into understanding the role of ultrathin coatings on interfacial reactions at LMO surfaces.

This work was supported as part of the Center for Electrical Energy Storage: Tailored Interfaces, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences.
Electrochemical Evolution of the Surface and Subsurface Properties of Layered Nickel-Rich Oxide Cathodes
Authors: Piper Louis F.J. , Sallis Shawn , Pereira Nathalie , Mukherjee Pinaki , Cosandey Frederic , Huang Yiqing , Quackenbush Nicholas F. , Whittingham M. Stanley , Amatucci Glenn G 
Published: February 2020

The limitation and degradation of the ionic and electronic transport across the positive electrode/electrolyte interface can potentially reduce the achievable capacity of Li-ion batteries. This is evident for the layered oxides such as those based on nickel that operate outside the stability of today’s organic electrolytes. The rise in impedance and capacity fade with cycling has been identified as a result of loss of electrical contact originating from the instability of electrode surface and decomposition of the electrolyte. In this talk, we will discuss the surface and subsurface properties of LiNi0.8Co0.15Al0.05O2 (NCA). NCA provides a model system for correlating capacity fade with the formation and evolution of the cathode electrolyte interface with cycling. Our studies directly compare x-ray spectroscopy, electron spectromicroscopy, and high-resolution electrochemical characterization of the same NCA electrodes as a function of both initial charging and extended cycling. This research is supported by the Northeast Center for Chemical Energy Storage (NECCESS), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0001294.
Domain Modeling of Lithium-Rich Manganese Nickel Oxide By Reverse Monte Carlo Method
Authors: Kitamura Naoto , Kubo Yusuke , Ishida Naoya , Idemoto Yasushi 
Published: February 2020

INTRODUCTION

Lithium manganese nickel oxides with layered structures have been investigated actively in the last decade. Especially, materials with lithium-rich compositions, such as Li1.2Mn0.6Ni0.2O2, are regarded as promising candidates for a cathode active material of the lithium-ion battery, due to higher energy densities, lower costs than typical commercialized cathodes like LiCoO2-based materials. It is well-known that their electrochemical properties are affected by cation distributions in the crystals, such as a LiMn6domain in a transition-metal layer and a Ni-O domain due to a cation mixing of Li and Ni. Therefore, the domain structures have been studied recently by TEM, NMR, extended X-ray absorption fine structure (EXAFS) and so on.
For deeper understanding of domain structures, we have focused on the Reverse Monte Carlo (RMC) modeling on crystals using the Bragg reflections and total scatterings simultaneously. In this work, we applied the RMC to lithium manganese nickel oxides with layered structures and then determined local (non-periodic) domain structures in intermediate range up to ca.10 Å in addition to average (periodic) host structures.

EXPERIMENTAL

Lithium transition-metal oxides, such as Li1.2Mn0.6Ni0.2O2, were synthesized by a coprecipitation method. Phase identifications of the samples were carried out laboratorial X-ray diffraction measurements, and the metal compositions were investigated by the inductively-coupled plasma (ICP) technique. For the reverse Monte Carlo modeling on crystals, synchrotron X-ray diffraction/total scattering patterns were measured by BL02B2 and BL04B2 installed at SPring-8, Japan. By using both the Bragg profile and structure factors S
box(Q) which were degraded taking simulation-box sizes into account, we performed the RMC simulation with RMCProfile, and then analyzed domain structures of the specimens.

RESULTS AND DISCUSSION

X-ray diffraction and ICP measurements confirmed that the Li1.2Mn0.6Ni0.2O2 had a single phase of the Li2MnO3-type layered structure and the analytical metal composition was almost equal to the nominal value.
For the purpose of a domain modeling in the crystal, we measured both the Bragg profile with high reciprocal-space resolution and the total scattering pattern with wide Q range. By using both the Bragg data and the convolved S
box(Q), the RMC simulation was carried out. Figure 1 shows results of the RMC for Li1.2Mn0.6Ni0.2O2. It is demonstrated that the RMC modeling can be performed successfully. From the simulated atomic configuration, we obtained pair distribution functions g(r) and then analyzed them. As a result, it is found that there is a correlation around 4 Å in g
Ni-Ni(r). This indicates that a Ni-O domain is formed in the crystal.

Figure 1
Electrochemical Properties of Ordered, Two-Dimensional, Double Transition Metals Carbides (MXenes)
Authors: Beidaghi Majid , Anasori Babak , Gogotsi Yury , Barsoum Michel W. 
Published: February 2020

Two dimensional (2D) transition metal carbides (MXenes) are a new family of nanomaterials with a very high potential as electrode materials for batteries and electrochemical capacitors (ECs). These materials are labeled MXene because they are obtained by selectively etching of the A-layers from their 3D layered, parent compounds the Mn+1AXn, or MAX, phases, where M is an early transition metal, A is an A-group element, such as Al or Si, X is carbon and/or nitrogen and n is 1 to 3. The excellent performance of MXenes as electrode materials for ECs was recently reported in the case of Ti3C2.1,2 Here, we report on the synthesis and electrochemical properties of the ordered MXenes, Mo2TiC2 and Mo2TiC3, wherein the Mo atoms are on the surface and the Ti atoms are between the Mo. The volumetric capacitance of freestanding electrodes fabricated by vacuum filtration of 2D Mo2TiC2 sheets, was about 400 F/cm3.
(1) Lukatskaya, M. R.; Mashtalir, O.; Ren, C. E.; Dall’Agnese, Y.; Rozier, P.; Taberna, P. L.; Naguib, M.; Simon, P.; Barsoum, M. W.; Gogotsi, Y. Cation Intercalation and High Volumetric Capacitance of Two-Dimensional Titanium Carbide. Science (80-. ).
2013, 341, 1502–1505.
(2) Ghidiu, M.; Lukatskaya, M. R.; Zhao, M.-Q.; Gogotsi, Y.; Barsoum, M. W. Conductive two-dimensional titanium carbide “clay” with high volumetric capacitance. Nature
2014, 516, 78–81.
Redox-Active Xerogels As Pseudocapacitve Electrodes with Excellent Cycling Performance
Authors: Boota Muhammad , Bécuwe Matthieu , Gogotsi Yury 
Published: February 2020

Electrochemically active organic molecules are emerging materials for small- to large-scale energy storage applications due to their low cost, recyclability, safety, and low toxicity. 1,2 In addition, they are compatible with various conductive substrates and their electrochemical properties can be tuned using established organic chemistry principals. 3,4 However, their poor conductivity and degradation upon cycling hamper the development of redox-active molecules/polymers for supercapacitors. Among all electroactive molecules, quinone-functionality is especially attractive due to its fast 2 e-/2 H+ redox reactions, and its ability to increase the capacitance of the double-layer capacitors. 1,5

Here, we synthesized conductive redox active xerogel by incorporating 2,5-dimethoxy-1,4-benzoquinone (DMQB) on reduced graphene oxide (rGO) sheets via hydrothermal method. The physisorbed DMQB on rGO sheets via π-π stacking interactions was characterized via various spectroscopic and electrochemical methods. DMQB anchored rGO sheets exhibited high gravimetric capacitance of 1100 F/g, which exceeded pristine rGO sheets by the factor of five. Furthermore, DMQB@rGO based electrodes showed negligible IR drop, low ESR values and good columbic efficiency. Most importantly, electrodes showed negligible capacitance loss when cycled up to 25,000 cycles.
1. B. Huskinson et al., Nature, 505, 195–8 (2014).
2. K. B. Hatzell, M. Boota, E. C. Kumbur, and Y. Gogotsi, J. Electrochem. Soc., 162, A5007–A5012 (2015).
3. M. Boota, K. B. Hatzell, E. C. Kumbur, and Y. Gogotsi, ChemSusChem, 8, 835–843 (2015).
4. S. E. Burkhardt et al., Energy Environ. Sci., 5, 7176 (2012).
5. D. Vonlanthen, P. Lazarev, K. a. See, F. Wudl, and A. J. Heeger, Adv. Mater., 26, 5095–5100 (2014).
New Generation High Performance Lithium-Ion Capacitor Laminate Cells
Authors: Cao Wanjun , Chen Xujie 
Published: February 2020

In recent years considerable research has been focused on the development of high energy density EC capacitors. Among all the energy storage systems that have been investigated and developed in the last few years, Lithium-ion Capacitors (LICs) have emerged to be one of the most promising because LICs achieve higher energy density than conventional Electric Double-Layer Capacitors (EDLCs), and better power performance than Li-ion batteries (LIBs) as well being capable of long cycle life which is shown in Fig. 1. LICs contain a pre-lithiated LIB anode electrode and an EDLC cathode electrode. Previously, we have reported a LIC with activated carbon (AC) cathode and hard carbon (HC)/stabilized lithium metal powder (SLMP) anode electrodes with high energy density, high power density and long cycle life1-7. From all the study before, we have achieved a high energy density LIC pouch cell4 with an energy density as high as 30 Wh kg-1 but only with a usable specific power of about 1.0 kW kg-1 and a maximum specific power of 2.0 kW kg-1. Therefore in this paper, we wish to report new generation high performance LIC laminate cells with higher power density and longer cycle life by sacrificing the energy density of the cells. The low temperature performance of the LIC laminate cells is also included in this paper. It can be concluded from the following data figures (from Fig. 2 to Fig. 4) that the specific energy and energy density as high as 20 Wh kg-1 and 38 Wh L-1 have been achieved, respectively. The laminate cells obtained a maximum specific power of 7.8 kW kg-1, respectively. The developed LICs can operate in a temperature as wide as from -40 degree C to +70 degree C. After 50,000 cycles, the LIC laminate cells still have 92% of the initial discharge capacity.
References:
1. J.P. Zheng and W.J. Cao, The 20th International Seminar on Double Layer Capacitors and Similar Energy Storage Devices, Florida Educational Seminars Inc. (2010).
2. W.J. Cao, J.P. Zheng, J. Power Sources, 213, (2012) 180.
3. W.J. Cao and J.P. Zheng, J. Electrochem. Soc. 160, (2013) A1572.
4. W.J. Cao, J. Shih, J.P. Zheng, T. Doung, J. Power Sources, 257, (2014) 388-393.
5. W.J. Cao, Y.X. Li, B. Fitch, J. Shih, J.P. Zheng, J. Power Sources, 268, (2014) 841-847.
6. W.J. Cao, J.S. Zheng, D. Adams, T. Doung and J.P. Zheng, J. Electrochem. Soc., 161(14), (2014) A2087-A2092.
7. W.J. Cao, M. Greenleaf, Y.X. Li, D. Adams, M. Hagen, T. Doung, J.P. Zheng, J. Power Sources, 280, (2015) 600-605.

Figure 1
Ni-Mo Porous Alloy Fabricated as Supporting Component for Metal-Supported Solid Oxide Fuel Cell and Cell Performance
Authors: Yang Sheng-Fu , Chuang Shie Zong Yang , Hwang Chang-Sing , Tsai Chun-Huang , Chang Chun-Liang , Huang Te-Jung , Lee Ruey-Yi 
Published: February 2020

In this study, continuous manufacturing processes including spray drying, compression molding and sintering are developed and constructed to produce molybdenum (Mo)-containing nickel (Ni)-based porous alloy as a supporting component for metal-supported solid oxide fuel cell (SOFC). The porous interconnected networks of Ni-Mo alloy are made of introducing pyrolyzable filler during fabrication processes. The particle size distribution analysis results showed d50 of starting material (E.g., Ni, Mo, pyrolyzable filler and binder) after spray drying is 40.7 um. A compression load of 35 ton is applied to form a specimen with size of 60×60×1.2 mm and then sintered at 1200°C to obtain porous alloy. The anode (Ce0.55La0.45O2-δ -Ni, LDC-Ni), electrolyte (La0.8Sr0.2Ga0.8Mg0.2O3-δ, LSGM) and cathode (Sm0.5Sr0.5CoO3-
δ, SSC) is coated by using an atmospheric plasma spraying (APS) technique. The active electrode area of the cell is 16cm2 and the open circuit voltage (OCV) is higher than 1.0 V under cell performance testing from 600 to 750 °C, indicating that a fully dense layer of LSGM electrolyte is successfully fabricated via APS coating process. The measured maximum output power densities (@0.6V) of this cell have reached 1196, 1012, 716 and 415 mW/cm2 at 750, 700, 650 and 600 °C respectively, by employing H2 as fuel and air as oxidant.
Development of Toho Gas SOFC Cell Stack
Authors: Masuda Soichiro , Ogura Yusuke , Shimano Jun 
Published: February 2020

Toho Gas has developed a planar type of scandia stabilized zirconia (ScSZ) electrolyte supported cell, and has been researching the improvement for the performance of cell stack.
We focused on the seal materials in order to improve the performance of Toho’s ScSZ electrolyte supported cell stack in this study. The existing seal material, powder type, is mixed with the organic solvent, and printed on the cell stack assembly. However, the seal quality varies in some degree in each samples, and the yield rate of printing process is not high enough. Furthermore, we have to design the cell stack with consideration for the seal contraction, because the seal materials crystallize and contract at the high temperature.
In this study, in order to improve the seal performance, we evaluate the seal performance of two types of seal, and the contraction thickness in some conditions.