bluuebunny/crossref_metadata_2025_split huggingface dataset:
Electrolyte-Electrode Interactions and Interphases
Authors: Russell Selena M. , Cresce Arthur v. , Xu Kang 
Published: February 2020

As batteries evolve toward higher cell voltage and capacity, developing detailed knowledge of the electrolyte-electrode interface is critically important. The chemical composition and morphology of interphases dictate not only the reversibility (cycle or calendar life), but also the kinetics of the cell chemistry (power density), and it has been well-recognized that the complicated interplay among electrolyte components (solvent, salt anion, additive) and electrode surfaces affect interphasial properties. Our efforts focus on designing new electrolytes to increase the electrochemical stability window. One way to reach that goal is to modify the SEI through electrolyte composition. To advance these efforts and understand the underlying chemistry at electrolyte-electrode interfaces, we perform in operando EC-AFM and in situ confocal Raman experiments, often supported by XPS and DFT studies. With these techniques we investigate the dependence on electrolyte composition on SEI formation, composition, and morphology on graphitic anodes and the elusive interphase on graphitic and thin film LNMO cathodes. The results of such investigations aid in the design of electrolytes that advance lithium ion battery technology and expand beyond traditional lithium ion chemistry to emerging energy storage types such as sodium ion and aqueous systems, which interfaces we have begun to study. This presentation will provide an overview of electrolyte-electrode interactions we have studied and their influence on interphases.
Rigid Pyromellitic Diimide Triangles for Organic Rechargeable Batteries
Authors: Kim Dong Jun , Hermann Keith , Prokofjevs Aleksandrs , Pezzato Cristian , Otley Michael Thomas , Stoddart J.Fraser 
Published: February 2020

Employing energy from renewable sources, such as solar and wind, will become increasingly important for sustainable development.1 Organic rechargeable batteries (ORBs) have been receiving a significant amount of attention in the literature for their versatile molecular structure design, sustainability, flexibility and availability from abundant natural sources.2 These attributes will aid in the design of more sustainable technologies.
While recent studies have shown significantly improved electrochemical performances, most of the ORBs are not appropriate for practical applications on account of two reasons. The first is the low cycle life observed for organic electrodes, resulting from dissolution or side reactions with the electrolyte. In order to overcome the dissolution of active materials in the electrolyte, a number of investigations have been directed towards conjugating redox-active molecules with polymers or by incorporating them into gel-polymer electrolytes.3 Secondly, and more importantly, very few electrode candidates show the single well-defined plateau voltage profile which is essential for maximizing the energy density of the full-cell. When we compare conventional transition-metal based electrodes to organic ones, the redox-active organic molecules possess numerous redox states, often having multiple well-defined plateaus. Although several studies have shown that functional group substitution induces overall redox voltage shifts, obtaining a single well-defined plateau using multiple redox-states of organic molecules remains a major challenge.
Herein, we report a new strategic direction. By introducing pyromellitic diimide (PMDI) into a molecular triangle, cyclic through-space electron-sharing occurs. This property results in increased cycle life and, more importantly, a single well-defined output voltage. The PMDI triangle exhibits a single well-defined voltage at 2.2 V, compared to two peaks at 2.2 and 1.7 V, or 2 and 2.7 V, for reduction and oxidation, respectively of PMDI monomeric analogues. Our results suggest that an efficient delocalization of electrons within the triangle is important for obtaining a singly well-defined plateau, and hopefully can be extended to other redox-active organic materials.
1. Armand, M.; Tarascon, J. M. Building Better Batteries. Nature
2008
451
,652–657.
2. Morita, Y.; Nishida, S.; Murata, T.; Moriguchi, M.; Ueda, A.; Satoh, M.; Takui, T. Organic Tailored Batteries Materials Using Stable Open-Shell Molecules With Degenerate Frontier Orbitals. Nat Mater.
2008, 10, 947–951.
3. Liang, Y.; Tao, Z.; Chen, J. Organic Electrode Materials for Rechargeable Lithium Batteries. Adv. Energy Mater.
2012, 2
, 742–769.

Figure 1
Approaching High-Performance Li-Sulfur Batteries By Surface Modification Using Atomic Layer Deposition
Authors: Meng Xiangbo , Liu Yuzi , Libera Joseph A. , Zavadil Kevin R , Elam Jeffrey W 
Published: February 2020

Approaching High-Performance Li-Sulfur Batteries by Surface Modification Using Atomic Layer Deposition

Xiangbo Meng†#, Yuzi Liu‡, Joseph A. Libera†, Kevin R. Zavadil§ and Jeffrey W. Elam†*
† Energy Systems Division, ‡ Center for Nanoscale Materials, Argonne National Laboratory, 9700 S. Cass Ave., Argonne, IL, USA 60439
§ Materials Science and Engineering, Sandia National Laboratories, Albuquerque, NM, USA 87185
# Presenting author: xmeng@anl.gov; * Corresponding author: jelam@anl.gov
Electrical energy storage (EES) is critical for the widescale implementation of renewable clean energies. With the commercialization of lithium-ion batteries (LIBs) in portable electronics, new battery technologies are being intensively investigated in order to provide higher energy density for other applications such as electrical vehicles. Lithium-sulfur (Li-S) batteries are very intriguing, given their high theoretical specific energy density of 2567 Wh/kg. However, Li-S batteries suffer from a number of major hurdles in practice, such as the insulating S and Li2S, soluble polysufides (Li2Sx, x≥4), and lithium dendrite growth. Although a huge amount of research effort has been invested to date, a lack of viable technologies exists to create high performance for practical applications. In our recent studies, both S cathodes and lithium metal anodes were modified via atomic layer deposition (ALD). Our research disclosed that uniform and conformal ALD coatings are very beneficial for Li-S batteries to approach high performance. Specifically, effects of ALD coating were exhibited in: (1) depressing the shuttle effect of polysulfides and (2) inhibiting lithium dendrite growth. As a result, the ALD-modified Li-S batteries showed improved Coulombic efficiency, much longer cycling lifetime, and enhanced safety. In our studies, different ALD coatings were investigated, including Al2O3 and LixAlyS. This work was supported as part of the Joint Center for Energy Storage Research (JCESR), an Energy Innovation Hub funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences (BES). Electron microscopy was performed at Center for Nanoscale Materials at Argonne National Laboratory.
Ultrasonic Synthesis and Multi-Scale Model of a Carbon Compartment & Sulfur Composite
Authors: Dysart Arthur D , Burgos Juan Carlos , Mistry Aashutosh , Chen Chien-Fan , Liu Zhixiao , Hong Chulgi , Balbuena Perla B , Mukherjee Partha P. , Pol Vilas G. 
Published: February 2020

In the field of battery technology, the lithium-sulfur battery has been widely pursued due to high energy density and high theoretical capacity that can satisfy viability thresholds for electric vehicles. However, this elusive technology remains in the research sector due to a wealth of engineering challenges resulting from the complex chalcogenide electrochemistry. The most infamous challenge remains the polysulfide shuttle effect, in which lithium polysulfide intermediates are produced as elemental sulfur (S8) is reduced to lithium sulfide (Li2S) during the discharge cycle. Since the higher order polysulfides are soluble in organic electrolyte, battery cycling can result in dissolution of the cathode, dendrite formation upon a lithium metal anode, and introduce impedance via electrode passivation. This can ultimately cause rapid capacity fade and unstable Coulombic efficiency.
This work presents a novel carbon-sulfur composite, utilizing a cost-effective, bimodal-porosity carbon substrate and a sonochemical sulfur loading technique to improve mono-dispersity in sulfur distribution. The cavity-rich carbon substrate, appropriately named carbon compartments, is synthesized through a single step heating process of commercial wheat flour. The surface area and bi-modal porosity of the carbon compartments enable high sulfur loading (ca. 70 %-wt.). Optimization of a novel fluorinated-electrolyte demonstrates radical improvement in columbic efficiency and cycling stability of the carbon-sulfur composite. The demonstrated Li-S cathode has shown stable half-cell performance (ca. 750 mAh g-1) and columbic efficiency (> 96 %) for all cycles at a current density of 28 mA g-1.
Further analysis using in-depth multi-scale modeling describes the electrochemical performance of the composite. Density functional theory and ab initio molecular dynamics characterize the development and behavior of sulfur-containing compounds at the electrolyte-composite surface. Stochastic modeling of the composite microstructure describes electrochemical and physical consequences of polysulfide precipitation. This multi-scale model provides fundamental insight into the mechanisms concerning the role of carbon morphology in the polysulfide shuttle phenomenon.
Silver Nanowires for Li-O2 Batteries
Authors: Kwak Won-Jin , Jung Hun-Gi , Aurbach Doron , Sun Yang-Kook 
Published: February 2020

In Li-O2 battery system, precipitation of Li2O2 passivate the cathode’s surface during charging, what terminates electrochemical reaction and limit the cell capacity.1,2 In the charging process, oxidation of the non-conductive Li peroxide precipitants requires high over-potentials, in which solution species may be readily oxidized. In order to address these shortcomings, many researchers3,4 tried to modify the morphology, size, and crystallinity of Li2O2 during its generation by electro-catalysis and the use of composite cathodes comprising nano-materials.
Efforts have been made to decrease the overpotential at the formation and decomposition of Li2O2, by identifying catalysts that can control the morphology of Li2O2. Morphological control makes Li2O2 easier to decompose on oxygen evolution reaction (OER). Herein, we show that silver nanowires as cathode materials for Li–oxygen batteries. AgNW greatly reduce the charging over-potential needed for OER at the solution/electrode interface and are more effective than silver nanoparticles (AgNP). AgNW deliver reversible Li2O2 formation/decomposition on discharge/charge with an average charging potential of ∼3.4 V without electrolyte solution decomposition after 50 cycles. We confirmed that unique Li2O2 structure can promote the decomposition at low charge potential upon oxygen evolution reaction leading to high electrical efficiently of Li-air batteries up to 83.4%.

References

(1) Kraytsberg, A.; Ein-Eli, Y. J. Power Sources
2011, 196, 886–893.
(2) Viswanathan, V.; Thygesen, K. S.; Hummelshoj, J. S.; Norskov, J. K.; Girishkumar, G.; McCloskey, B. D.; Luntz, A. C. J. Chem. Phys.
2011, 135, 214704 (1–10).
(3) Mitchell, R. R.; Gallant, B. M.; Shao-Horn, Y.; Thompson, C. V. J. Phys. Chem. Lett.
2013, 4, 1060–1064.
(4) Adams, B. D.; Radtke, C.; Black, R.; Trudeau, M. L.; Zaghib, K.; Nazar, L. F. Energy Environ. Sci.
2013, 6, 1772–1778.
The Effect of Mechanical Property on the Life Cycle Ability of Batteries
Authors: Asayesh-Ardakani Hasti , Nie Anmin , Yuan Yifei , Shahbazian-Yassar Reza 
Published: February 2020

Hasti Asayesh-Ardakani1, 3, Anmin Nie1
, 3, Yifei Yuan2, 3 and Reza Shahbazian-Yassar1, 2,
3

1Department of Mechanical Engineering-Engineering Mechanics, Michigan Technological University, Houghton, MI 49933-1295, USA

2Department of Material Science and Engineering, Michigan Technological University, Houghton, MI 49933-1295, USA

3Department of Mechanical and Industrial Engineering, University of Illinois at Chicago, Chicago, IL60607-7059, USA
Using sodium as a potential charge carrier ion for rechargeable batteries has attracted attention of many researchers since Na-ion batteries are more eco-friendly and affordable due to much more abundance of sodium over lithium on earth. Another considerable issues are performance and cyclability of batteries. The anode materials usually experience large volume changes through the ion insertion and extraction. This volume change and lithium embrittlement causes cracks and loss of contact in the anode material, which ultimately causes the failure of battery. Here, we investigated and compared the structural and mechanical changes of ZnO nanowires during sodiation and lithiation by using in situ transmission electron microscopy. The cracks were created upon the first lithiation process of single crystalline ZnO nanowire. The lithiated ZnO nanowire shows multiple glassy domains, which has low strength and ductility. This results in poor cyclability of battery. On the other hand, ZnO nanowire after sodiation show dislocations on the surface of nanowire that results in more ductility of sodiated nanowire rather than lithiated one. This direct comparison demonstrates the critical role of anode material’s mechanical properties on failure mechanism and cyclability of Li/Na-ion batteries.
When Is a Battery Starting to Operate Environmentally Positive? Comparison of Storage with Pb-Acid and Li-Ion Technology: Life Cycle Analysis, CO2 Footprint and Balance, and Overall Sustainability
Authors: Pettinger Karl-Heinz , Dong Winny 
Published: February 2020

In this talk the results of a study comparing Pb-acid and Li-ion batteries as power storage buffers for residential applications will be presented. The study is organized as an overall comparison, highlighting many production factors, in addition to the common financial issues. It was conducted in cooperation between the University of Landshut and California State Polytechnic University, Pomona. A cradle-to- grave life-cycle analysis of both the Li-ion and the Pb-acid battery is presented. The energy demands for production of cells in both technologies are analyzed for the single production steps. The energy needed and the CO2 generated in the production of both types of cells and batteries is compared to the energy saved and the reduction of CO2 emitted through the usage of each type of battery. The detailed analysis of these two popular technologies provides critical information as residential solar systems become
more common. They are compared to their real sustainability in a homestorage photovoltaic buffer application.
The storage of electricity generated by photovoltaics battery is performed by battery systems with a typical capacity between 5 and 20 kWh. In this application Lead-Acid an Lithium-Ion batteries are the most common storage technologies. The storage of electricity generated by a 10 kWp PV-generator in combination with a 7,5 kWh battery is analyzed on different levels. The necessary primary energies for

Cell production

Production of the Battery System

Transport to the customer

are compared for Lithium-Ion and Lead-Acid technology. The Energy required for production of one Wh of Battery Capacity on cell level is in
Li-ion-Technology 41 kWh
Pb-acid-technology 14 kWh.
The most energy intensive aspect of Lithium-ion battery production is the coating process. The most energy intensive aspect of Lead-acid battery production is the formation process.
Lithium-ion batteries operate nearly 3-times more “energy efficient” with respect to the demand of primary energy for their production. Although Lead-acid cells require much less energy to produce, when usage and system performance are taken into account Li-ion batteries are the winner of this comparison.
It is shown that the ecological amortization in the mentioned home storage application happens after only a few months of operation. The Li-Ion storage system starts “to work green” after 0.6 years and with the Lead-acid storage system after 1.8 years of operation.

Figure 1
Investigations of Doping and Dissolution in Lithium Transition Metal Oxides Using Density Functional Theory Methods
Authors: Liu Cong , Iddir Hakim , Benedek Roy , Curtiss Larry A 
Published: February 2020

LiMn2O4 (LMO) has become a promising candidate to replace LiCoO2 as a cathode material in high power Li-ion batteries, due to its ease of preparation, low cost and non-toxicity. However, the performance of LiMn2O4 cathode is limited by capacity fade, particularly at high temperatures. It is believed that the capacity fade of LiMn2O4 is driven by the loss of Mn resulting from the disproportionation of surface Mn3+ with the resultant divalent Mn ions dissolving into stray moisture and electrolyte. In this work, we investigate possible candidate LMO dopants that can inhibit or reduce Mn dissolution. Several dopant-selection criteria are considered, and the electronic structure of the doped LMO will be discussed.
Mn3O4/CNT Nanocomposites Derived from Waste Manganese Resources As High Performance Anode Materials for Lithium Ion Batteries
Authors: Zhang Lihua , Wu Sisi , Wan Yi , Huo Yifeng , Luo Yaochong , Lu Zhouguang 
Published: February 2020

It is very important to explore cost-effective, high capacity and stable anode materials for lithium ion batteries from earth-abundant resources. Here we report a facile ball-milling method to prepare Mn3O4/CNT nanocomposites from some waste resources like amorphous manganese oxide from recycled batteries or from electrolytic manganese industry. The obtained Mn3O4/CNT nanocomposites were intensively investigated as anode materials for lithium-ion batteries and supercapacitors. In these Mn3O4/CNTs nanocomposites with a unique bird nest architecture, the CNTs work as electrical wiring branch. This provides electron efficient transport pathway and accommodate a large volume change during the electrochemical reactions. While the ultrafine Mn3O4 nanoparticles grafted onto the CNTs ensure high specific capacity. Therefore, exceptional high capacity (>1000 mAh g-1) and extremely stable cycling were achieved.
Structure Characteristic Evaluation of Triclinic and Orthorhombic LiVOPO4 of Cathode Materials in Lithium Ion Batteries
Authors: Lee Seong-Hun , Ryu Kwang-Sun 
Published: February 2020

LiVOPO4 has the stable structure result from stable PO4 unit, high potential of 4.0 V compare with LiFePO4 (3.5 V), and it has a theoretical capacity of 166 mAh g-1, which is slightly lower than LiFePO4 (170 mAh g-1). In addition to this, it appears the high theoretical energy density (664 Wh/kg) as against the 578 Wh/kg for LiFePO4. Based on the spatial arrangement of VO6 octahedral and PO4 tetrahedral units, which host the lithium ions in the interstitial sites of the framework, LiVOPO4 exists different crystallographic phases such as α-, β-. γ-. δ-. ε-, ω- LiVOPO4. Triclinic α-LiVOPO4 and orthorhombic β-LiVOPO4among them has magnificent electrochemical performance. VO6 octahedral was consisted of four oxygen atoms in the equatorial and two oxygen atoms at the axial vertices of the octahedron. The oxygen at the axial has different bond length.
In this study, we compared the physical properties of triclinic α-LiVOPO4 and orthorhombic β-LiVOPO4., This materials were synthesized by the sol-gel method. The starting materials used vanadium oxide, lithium carbonate, ammonium dihydrogen phosphate. The used precursors measured the DSC (Differential Scanning Calorimeter) to confirm the phase transition temperature. And structure analysis of synthesized LiVOPO4 and impurities formation were confirmed through the XRD measurement. Also, SEM (Scanning Electron Microscopy) and EDS (Energy dispersive X-ray spectroscopy) measured to confirm the particle size of synthesized LiVOPO4 and distribution of atoms. And local structure such as bond length, oxidation state, and parameter of unit cell was confirmed by rietveld refinement and XAFS (X-ray Absorption Fine Structure). The Electrochemical Li ion intercalation performances such as EIS (Electrochemical Impedance spectroscopy), CV (Cyclic Voltammetry), CD (charge-discharge), rate capability also evaluated as the cathodes.
High Energy Lithium Cobalt Oxide for Lithium Ion Batteries
Authors: Lu Wenquan , Su Xin , Li Yangxing , Aguesse Frederic , Bareno Javier , Bloom Ira , Sun Chengjun , Liu Qi , Ren Yang , Ishwait Manar 
Published: February 2020

High energy density batteries are becoming essential to satisfy the demands of fast growing portable electronic and electric vehicle markets. There are great efforts in the battery community to explore new materials with a high energy density. However, the challenge is formidable and even if potential materials can be identified, it still takes years, if not a decade, to commercialize. Therefore, it is reasonable to investigate modifications of existing materials to improve battery energy density.
LiCoO2, the first commercialized material, is still the most used cathode material to-date due to its simple synthesis process, high energy density, and good cycle life. Conventionally, only a limited amount of its capacity was utilized due to the concern of its structural instability. However, with better understanding of this electrode material, more and more energy has been achieved by pushing its cutoff voltage to higher values without sacrificing electrochemical performance. Currently, LiCoO2 is operated as high as 4.4V in full cells, which is equivalent to 4.45V vs. Li, and yields a specific capacity of 180mAh/g. This is close to a 20% capacity increase compared to the early 140 mAh/g capacity. In this study, we investigated the possibility of increasing the LiCoO2 upper cutoff voltage to even higher voltages, such as 4.5V or even 4.6V, with capacities greater than 190 mAh/g.
It has been well understood that LiCoO2 will go through a phase transition when half the lithium is removed from the structure. This phase transition will affect the stability of its structure and lead to poor cycling performance. Doping is a common method to suppress the phase transition. In order to study the doping effect, aluminum doped LiCoO2 (LCO-A) cathode materials were prepared by ShanShan, China. The electrochemical characterization clearly indicates that the phase transition is suppressed for the doped LiCoO2, which demonstrated excellent cycling performance. Following their electrochemical characterization, the LiCoO2 cathode materials were further studied to examine their chemical composition, morphologies, structure, and surface properties. The results shed further light on the development of high energy LiCoO2.
Acknowledgement
Support from David Howell and Peter Faguy of the U.S. Department of Energy’s Office of Vehicle Technologies Program is gratefully acknowledged. This work was performed, in part, at the Electron Microscopy Center for Materials Research, Center for Nanoscale Materials and Advanced Photon Source, Offices of Science, Offices of Basic Energy, and Offices of Sciences User Facility operated for U.S. Department of Energy (DOE) Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357.