bluuebunny/crossref_metadata_2025_split huggingface dataset:
Design of Metal Oxide Anode Materials for Lithium-Ion Batteries
Authors: Palmieri Alessandro , Ng Benjamin , Mustain William E. 
Published: February 2020

Li-ion batteries (LIBs) have been the leading technology in the portable electronics market since their discovery by Sony in the 1990s. At the anode, graphite has remained ubiquitous for commercial Li-ion batteries since its discovery as a reversible intercalation material over 30 years ago, leading to a typical specific energy density of ca. 150 Wh/kg. However, due to both rising consumer demand for enhanced capabilities of portable electronics and the emerging application of Li-ion batteries to larger systems (such as electric vehicles and even grid-scale energy storage), it has become clear that existing cell components will not be sufficient. Therefore, it is important to develop new active materials and electrolytes that allow Li-ion battery energy and power density to be doubled in the near future.
One of the most promising classes of anode materials are conversion transition metal oxides (MOs). These MOs rely on chemical transformations with more than one electron transfer step to store and deliver energy, which results in theoretical capacities 2-3 times higher than graphite. In addition, they have a safer lithiation potential that eliminates the possibility for problematic lithium plating during charging. Lastly, MOs are naturally abundant and typically environmentally friendly. However, the use of metal oxides in their raw state has been limited by their low electronic conductivity – which promotes phase separation and large domain sizes from the metal and Li2O phases that form during charging. It is this nanoscale phenomena that limits MO cycle life to graphite compared to graphite [1]. To circumvent these challenges, our group has focused on methods that increase the intra-particle and inter-particle electronic conductivity of the anode electrode [2-4]. In this talk, we will discuss the efficacy of several approaches to improve conductivity and capacity retention in NiO, Co3O4 and MnO chemistries, including supporting the MOs onto advanced carbons, creating metal-metal oxide composites and transition metal doping. There will be a specific focus on material families that have been engineered, through fundamental scientific discoveries, to achieve stable anode electrodes over several hundred cycles. We will also discuss opportunities and challenges when pairing these MO anode materials with traditional cathodes in full cells.
References.
1. N. Spinner, L. Zhang, W. Mustain, Journal of Materials Chemistry A, 2 (2014) 16278.
2. N. Spinner, A. Palmieri, N. Beauregard, L. Zhang, J. Campanella and W. E. Mustain, Journal of Power Sources, 276 (2015) 46.
3. Y. Liu, A. Palmieri, J. He, Y. Meng, N. Beauregard, S.L. Suib and W.E. Mustain, Scientific Reports, 6 (2016) 25860.
4. A. Palmieri, R. Kashfi-Sadabad, S. Yazdani, M. Pettes, W. E. Mustain, Electrochimica Acta, 213 (2016) 620.
Towards Better Utilization Ratios of Active Materials in Redox Flow Batteries
Authors: Duan Wentao , Li Bin , Lu Dongping , Wei Xiaoliang , Nie Zimin , Murugesan Vijayakumar , Kizewski James , Hollas Aaron , Reed David , Sprenkle Vincent , Wang Wei 
Published: February 2020

Redox flow batteries, as promising candidates for grid-scale energy storage, have recently attracted a great wealth of research interests. Capital costs, however, are still hindering large-scale commercialization of redox flow batteries, within which chemical cost plays an important role. To reduce chemical costs, the promotion of utilization ratios of active materials (chemical fuels) in current redox flow batteries is a possible solution, which could potentially further lower the cost of the whole system.
In this presentation, we report such efforts from our lab on two redox flow batteries: the all vanadium and zinc iodide systems. Through optimizations of electrolyte components and re-design of flow chemistry, utilization ratios of active materials, as well as specific volumetric capacities, are significantly enhanced in these systems.
Aqueous Organic Redox Flow Batteries (AORFBs) for Sustainable and Safe Renewable Energy Storage
Authors: Hu Bo , DeBruler Camden , Liu Tianbiao 
Published: February 2020

The presentation will cover my group research efforts in developing high performance aqueous organic redox flow batteries (AORFBs) aiming for sustainable and economical large-scale energy storage from solar and wind. We have pioneered the development of novel AORFBs employing water-soluble redox active molecules including viologen, ferrocene, and TEMPO.[1-4] Particularly, the chemistry and battery performance of the FcNCl/MV AORFB will be discussed in detail,[1] where FcNCl is (ferrocenylmethyl)trimethylammonium chloride and MVis methyl viologen dichloride. Challenges and advances in developing AORFBs for practical applications will be discussed. How chemistry plays crucial roles in developing the new generations of redox flow batteries will be emphasized.
References: (1) Hu, B.; DeBruler C., Rhodes, Z.; Liu, T. L.*, J. Amer. Chem. Soc., 2017,139, 1207. (2) Liu, T.;* Wei, X.; Nie, Z.; Vince, S.; Wang, W. Adv. Energy Mat. 2016. (3) Filed US Patents covering applications of water soluble viologen, ferrocene derivatives, and TEMPO for RFBs (4) Group website: www.tianbiaoliu.org
(Invited) Transport Phenomena in Electrochemical Energy-Conversion Technologies
Authors: Weber Adam Z. 
Published: February 2020

The issue of transport phenomena is omnipresent in various electrochemical energy-conversion technologies. There is a need to understand and optimize the various means for products and reactants, whether gas, liquid, or ions to get to and away from the reaction sites. Such transport often results in concentration polarization and ohmic effects in various electrochemical cells. Mathematical modeling and advanced diagnostics are ideally suited to elucidate and explore the impacts of transport phenomena on device performance.
In this talk, we will discuss current research questions and issues related to transport phenomena in various electrochemical energy-conversion technologies including solar fuel generators, polymer-electrolyte fuel cells, and redox flow batteries. These various technologies share very similar architectures of typically ion-conducting polymer membranes sandwiched between thin catalyst layers that are porous electrodes. Specific topics to be discussed include reactant gas transport to the local reaction site in vapor-fed solar-fuel generators, local oxygen transport in polymer-electrolyte fuel cells, and ion transport and selectivity in redox flow batteries.

Acknowledgement

This work was funded by the Department of Energy under contract number DE-AC02-05CH11231.
Understanding Electrolyte Remixing As a Capacity Fade Mitigation Technique for Vanadium Redox Flow Batteries
Authors: Casco Nicholas Houghton , Kourmanopoulos Nicholas , Dennison Christopher R , Kumbur E. Caglan , Agar Ertan 
Published: February 2020

Capacity fade during long-term charge/discharge cycling is considered as one of the key issues that limits the long-term performance and lifetime of vanadium redox flow batteries (VRFBs) [1]. This issue is primarily caused by oxygen and hydrogen gas evolution as well as vanadium crossover and leads to a decrease in battery performance through its lifetime [2]. One potential solution to address the problem of vanadium crossover is remixing the electrolyte, i.e. transferring a portion of electrolyte from one tank to the other (Figure 1a), to balance the total vanadium concentration in both tanks [3]. Although this approach has been widely implemented in recent studies, the literature still lacks a descriptive theoretical framework to accurately assess the connection between electrolyte remixing and VRFB performance both in a specific cycle and during exhaustive cycling. If this relationship could be understood, then more effective strategies to reduce the negative impacts of crossover and related capacity fade could be developed.
In this talk, we will present a modeling study to establish a fundamental understanding of electrolyte remixing as a capacity fade mitigation strategy. The effects of remixing frequency (Figure 1b) and the amount of electrolyte remixed on the long-term performance of these systems will be reported. Additionally, the trade-off between improved capacity fade during long-term cycling and reduced single-cycle performance at which remixing applied will be discussed.

References

[1] Boettcher, P. A., Agar, E., Dennison, C. R., Kumbur, E. C. J. Electrochem. Soc.
2016, 163 (1), A5244-A5252.
[2] Knehr, K. W., Agar, E. Dennison, C. R., Kalidindi, A. R., Kumbur, E. C. J. Electrochem. Soc.
2012, 159 (9), A1446-A1459.
[3] Wang, K., Liu, L., Xi, J., Wu, Z., Qui, X. J. Power Sources, 2017, 338, 17-25.

Figure 1
Effects of Cell Geometry on Rate Performance of Secondary Batteries
Authors: Thorne John S , Greer Julia R 
Published: February 2020

3D geometries for microbattery applications have been explored to increase capacity per footprint area, relevant for small footprint area micro devices [1] [2]. Simulations of interdigitated Li-ion batteries suggest 4 orders of magnitude increase in areal capacity at 330 C-rate from 0.58 Ah/m2in the conventional geometry to 318 Ah/m2 for the 3D geometry [3]. Realization of practical 3D battery designs can potentially decouple their power and energy [4], properties that are historically coupled in conventional battery design, which might have significant implications for high power devices.
Using commonly found commercially available materials and tools, we designed and conducted a simple experiment to elucidate how battery performance can be improved by varying the relative arrangements of the active and inactive components. Examples include using Li/LiCoO2 2032-type coin cells with 1M LiPF6 and carbonate containing electrolytes. The maximum active ion diffusion length required to fully delithiate the LiCoO2 electrodes during cycling was increased by 400-6500 μm compared with standard reference cells, and the effect on rate performance was measured between C/24 and C/3. Results suggest that extending the maximum active ion diffusion path length by >1600 μm still allows for attaining specific capacity that matches that of the reference cell at C/24. We discuss possible new geometries and optimized designs in the framework of battery performance.
[1] C. Liu, E.I. Gillette, X. Chen, A.J. Pearse, A.C. Kozen, M.A. Schroeder, K.E. Gregorczyk, S.B. Lee, G.W. Rubloff. Nature Nanotechnology 9 (2014) 1031-1039. [2] T.S. Arthur, D.J. Bates, N. Cirigliano, D.C. Johnson, P. Malati, J.M. Mosby, E. Perre, M.T. Rawls, A.L. Prieto, B.Dunn. MRS Bulletin 36 (2011) 523-531. [3] D. Miranda, C.M. Costa, A.M. Almeida, S. Lanceros-Méndez. Applied Energy 165 (2016) 318-328. [4] N. Cirigliano, G. Sun, D. Membreno, P. Malati, C.J. Kim, B. Dunn. Energy Technology 2 (2014) 362-369.
Impact of Electrolyte Transference Number on Lithium Dendrite Growth Process
Authors: Barai Pallab , Higa Kenneth , Srinivasan Venkat 
Published: February 2020

Growth of dendritic protrusions leading to short circuits of cells is presently the largest barrier to widespread usage of lithium metal anodes in commercial lithium ion batteries. Dendrite growth becomes more severe at high current density and low temperature operations because of the onset of diffusion limitations. Improving the elastic-plastic mechanical properties of the electrolyte material can significantly suppress the propagation of dendritic protrusions[1]. However, it has also been argued that enhanced electrolyte transport properties can decrease the propensity for dendrite growth. For example, increased diffusivity of the electrolyte at higher temperature leads to stable deposition of lithium[2], as does increasing the cation transference number of the electrolyte[3].
The propensity for growth of dendritic protrusions can be estimated by solving the mechanical equilibrium, mass transport and charge transport equations, coupled with the nonlinear Butler-Volmer relation. Based on this computational approach, a map correlating growth during operation at 75% of the limiting current density to the electrolyte shear modulus and transference number (see Figure 1) has been developed, showing regimes in which prevention of dendritic protrusion is possible. The results are consistent with experimental observations[4] of dendrite growth in liquid and polymer (PEO) based electrolytes (demarcated by the red regions). This phase-map is expected to help in designing new electrolyte materials that promote dendrite-free lithium deposition.
References
1. Monroe, C. and J. Newman, The impact of elastic deformation on deposition kinetics at lithium/polymer interfaces. Journal of the Electrochemical Society, 2005. 152(2): p. A396-A404.
2. Love, C.T., O.A. Baturina, and K.E. Swider-Lyons, Observation of Lithium Dendrites at Ambient Temperature and Below. Ecs Electrochemistry Letters, 2015. 4(2): p. A24-A27.
3. Tikekar, M.D., L.A. Archer, and D.L. Koch, Stability Analysis of Electrodeposition across a Structured Electrolyte with Immobilized Anions. Journal of the Electrochemical Society, 2014. 161(6): p. A847-A855.
4. Brissot, C., et al., Dendritic growth mechanisms in lithium/polymer cells. Journal of Power Sources, 1999. 81: p. 925-929.

Figure 1
(Invited) High Strength and Corrosion Resistant Light Alloys Via High-Energy Ball Milling
Authors: Gupta Rajeev Kumar , Esquivel Javier 
Published: February 2020

The corrosion of metallic materials in a given environment depends on the microstructure stemmed from the concurrent influence of the composition, production route, thermomechanical processing, and service conditions. Microstructures and therefore the properties of the alloys produced via high-energy ball milling are known to be significantly different than that produced via conventional techniques even for the same alloy composition. Grain refinement, extended solid solubilities, formation of metastable phases, unique grain boundaries, super saturation of vacancies, high stored energy, increased diffusivities are some of the principle characteristics of the microstructure produced by the high-energy ball milling process.
It has been shown recently that development of corrosion resistant light alloys (Al alloys and Mg alloys) is possible by high-energy ball milling in combination with the suitable alloying elements. Al- transition metal alloys have been produced by the high-energy ball milling and subsequent consolidation. X-ray diffraction analysis and scanning electron microscopy indicated significantly higher solid solubility of the transition metals in Al and nanoscale grain refinement. The cyclic potentiodynamic polarization tests revealed significant ennoblement of pitting and repassivation potentials of the high-energy ball milled Al -transition metal alloys. The Grain refinement < 100 nm and high solid solubility also increased mechanical strength- compressive yield strength exceeding 1 GPa. High-energy ball milling has been found capable of improving corrosion resistance and strength simultaneously. Mechanisms of the improved corrosion and mechanical properties of the high-energy ball milled alloys will be discussed.
(Invited) In-Situ X-Ray Spectro-Microscopy of Nanoscale Materials Systems
Authors: Goode Angela E , Koronfel Mohamed , Gomez Gonzalez Miguel A , Quinn Paul , Weker Johanna Nelson , Porter Alexandra E , Toney Michael F , Ryan Mary P 
Published: February 2020

The degradation behaviour of nanoscale materials is a key determinant of their potential human and environmental toxicity, and can be chemical or electrochemical in nature. In addition, the environmental transformation of materials released from consumer products determines their end-point eco-toxicity. These processes are a challenge to study as they require high resolution– but statistically meaningful analysis. More generally the stability of nanomaterials is of importance for device lifetime. We are developing tools to study such reactions for a range of relevant materials (e.g. ZnO, Ag, CoCr, CeO2, CNTs).
The development of nanoprobe X-ray systems at synchrotron sources is providing new insights into the behaviour of materials-environment interactions at nanoscale resolution. In this paper we will discuss our recent work on in-situ observation of deposition, localized dissolution and environmental transformation of nanoscale systems: providing both spatial and spectral information. In situ observation of local super-saturation, dealloying and nanoparticle chemical transformation all demonstrate the capabilities and opportunities for this technique. In addition, we will discuss the correlative use of ex-situ electron microscopy and assembly-averaged in-situ studies to develop holistic understanding of these systems.
1st Cut Spent Pot Liner-Modified Epoxy Coatings for C-Steel
Authors: Thekkethottiyil Elizabeth Jacob , Abdullah Aboubakr Moustafa 
Published: February 2020

Aluminum extraction from alumina is conducted in huge electrolytic cells, arranged in ‘pot lines’. These pots have a carbonaceous lining to act as the cathode. After a few years of service, this lining is ‘spent’ and must be replaced. This waste material, called 1stcut Spent Pot Lining (SPL1), is collected in thousands of tons. SPL1 is considered a ‘hazardous’ material by the US Environmental Protection Agency and its European counterpart. Storage, transportation and treatment of SPL1 is a major problem for the aluminum industry. In the most common recycling procedure, SPL1 is treated either thermally or chemically by expensive processes to retrieve the carbon, which is then used as fuel. Alternative uses for this carbon-rich material in other applications are being explored.
Epoxy resin is a thermoset polymer coating material which has wide industry acceptance due to its toughness, adhesion, durability, thermal stability, high chemical resistance, low shrinkage and ease of fabrication. However, epoxy coatings suffer from brittleness, a poor resistance to crack propagation especially in presence of UV radiations. It is expected that addition of carbon-based conductive fillers can decrease the susceptibility of epoxy to aggressive UV radiation and thus increase its corrosion protection properties.
The objective of this work is to explore the use of SPL1 as an additive in fast-cure epoxy coatings on mild steel substrates and study the thermal and electrical properties of the resulting composite at various concentrations of functionalized and unfunctionalized SPL1. The weathering behavior of these coatings under UV radiation were also investigated. The results showed that the electrochemical corrosion behavior of the coating was significantly improved although some microcracks developed on the surface of the coatings after prolonged exposure to UV radiation.

Figure 1
Viability of Post-Transition Metal As Anode for Nano-Ionic Resistive Switching Based Devices
Authors: Sonde Sushant Sudam , Chakrabarti Bhaswar , Sasikumar Kiran , Stan Liliana , Sankaranarayanan Subramanian , Guha Supratik 
Published: February 2020

The phenomenon of electric field mediated resistance switching in metal oxides is critical to nanoscale electronic devices ranging from conventional energy efficient MOSFETs to emerging memory devices as well as artificial neuron and synaptic devices. Such resistance transition can be facilitated by two main mechanisms: i) conduction of oxygen ions in non-stoichiometric compounds e .g. HfOx, AlOx. In this case the redox reaction of the oxide itself is manifested by oxygen anion transport, ii) the oxides serve as electrolyte dielectrics to conduct electrochemically active metal cations, such as Ag or Cu, forming the so-called electrochemical metallization memory (ECM) devices.
So far inert and electrochemically active transition metals such as Pt and Cu/Ag respectively have been implemented to demonstrate resistive switching in Metal-Insulator-Metal (MIM) devices for application in steep slope transistors and as non-volatile memory and selector device. However, post transition metal e. g. Sn with lower cohesive energy as well as lower negative heat of formation of metal oxide offers viable alternative to Cu and Ag in ECM type devices.
In this study, we fabricated asymmetric two terminal MIM structures in a cross-bar array with atomic layer deposited HfO2 thin film sandwiched between Pt and post-transition metal (Sn). We demonstrate reversible resistance switching in HfO2. Filamentary conduction by cations beyond a threshold voltage was verified by varying device areas. A recent report demonstrated coexistence of both oxygen anion and metal cation transport being responsible for resistance switching in a single oxide depending on the anode metal. We present a comparative investigation based on current-time (I-t) measurements to distinguish contributions from oxygen anions and metal cations in the resistance switching process.
Using Sn anode we demonstrate bidirectional threshold switching as well as bipolar memory switching. We further evaluate viability of Sn anode in terms of switching speed in comparison with Cu and Ag. Furthermore, we discuss considerations for bidirectional threshold switching and bipolar memory switching with Sn anode substantiated with our ongoing molecular dynamic simulations.
(Invited) Characterization of Advanced Devices: Identifying Performance & Degradation Drivers
Authors: Bersuker Gennadi , Pierce Donald G. , Mason Maribeth S. 
Published: February 2020

The proliferation of complex multi-component gate stack/electrode structures and introduction of new dielectric and semiconductor materials may lead to new degradation mechanisms that complicate characterization and reliability evaluations of advanced CMOS devices. Aggressive scaling of device dimensions, which tends to increase device-to-device variability, further diminishes effectiveness of well-established test methods requiring ever increasing numbers of samples. Charge transfer across nanometer scale layers of different materials is strongly affected by the interface regions, where structure and composition are determined by inter-material interactions, which are influenced by fabrication conditions.
This trend points to a growing need for physics-based degradation models explicitly taking into consideration atomic-level material properties while being relevant to the application conditions and complementary to the widely used phenomenological approaches. The critical task is to link structural and electrical characteristics of multicomponent material stacks in order to identify and eventually control defects affecting charge transfer. Understanding of the degradation mechanism and its structural drivers enables the selection of adequate test conditions, which ensure degradation and lifetime assessments consistent with the use-conditions are obtained. We discuss limitations of the traditional methodology and provide examples of implementations of the microscopic evaluation approach.