Novel Pre-lithiation Technology for High Energy Density Electric Vehicle Batteries
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25 ENERGY STORAGE↗
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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
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Designing high energy density flow batteries by tuning active-material thermodynamics
With the cost of renewable energy near parity with fossil fuels, energy storage is paramount. We report a breakthrough on a bioinspired NRFB active-material, with greatly improved solubility, and place it in a predictive theoretical framework.
25 ENERGY STORAGE↗
A flexible proton beam imaging energy spectrometer (PROBIES) for high repetition rate or single-shot high energy density (HED) experiments (invited)
The PROBIES diagnostic is a new, highly flexible, imaging and energy spectrometer designed for laser-accelerated protons. The diagnostic can detect low-mode spatial variations in the proton beam profile while resolving multiple energies on a single detector or more. When a radiochromic film stack is employed for “single-shot mode,” the energy resolution of the stack can be greatly increased while reducing the need for large numbers of films; for example, a recently deployed version allowed for 180 unique energy measurements spanning ~3 to 75 MeV with <0.4 MeV resolution using just 20 films vs 180 for a comparable traditional film and filter stack. When utilized with a scintillator, the diagnostic can be run in high-rep-rate (>Hz rate) mode to recover nine proton energy bins. Here, we also demonstrate a deep learning-based method to analyze data from synthetic PROBIES images with greater than 95% accuracy on sub-millisecond timescales and retrained with experimental data to analyze real-world images on sub-millisecond time-scales with comparable accuracy.
3D printing↗
Fully thermal meta-GGA exchange correlation free-energy density functional
The application of density functional theory to materials in the warm dense matter regime has motivated the development of exchange-correlation functionals which incorporate proper, explicit temperature dependence. Previous work has yielded fully-thermal exchange-correlation free energy functionals at the local density approximation (LDA) and generalized gradient approximation (GGA) levels of refinement. Recently an additive thermal correction scheme was utilized to construct a meta-GGA exchange-correlation (XC) functional in which thermal effects are treated at the GGA level. Here, the f TSCAN free-energy XC functional presented here includes thermal effects through the meta-GGA level in the context of the SCAN (strongly constrained and appropriately normed) ground-state functional. The f TSCAN functional provides generality while achieving similar performance to a thermal GGA functional at high temperatures, e.g. pressures within 1% of path integral Monte Carlo simulations of warm dense hydrogen, and a significant improvement over ground-state functionals. At low temperatures, f TSCAN demonstrates improvements in accuracy relative to lower-level and deorbitalized functionals, indicating that calculations using f TSCAN may be expected to perform well across experimentally relevant densities and pressures.
36 MATERIALS SCIENCE↗
Development of an All-Aqueous Thermally Regenerative Redox Flow Battery to Support Fossil Fuel Assets
Low-temperature thermal energy, a largely untapped resource, holds significant promise for large-scale electrical power generation globally. Various stationary sources, including industrial entities and thermal power plants, emit considerable low-temperature heat that currently remains unutilized. This energy is often overlooked because its low temperature renders it unsuitable for efficient power generation using conventional methods. However, current research is exploring diverse technologies capable of converting low-temperature heat into grid-scale power, aiming to enhance grid efficiency, further decarbonization initiatives, and facilitate a shift toward more decentralized power systems. One such innovative technology is the thermally regenerative battery (TRB), noted for its high power and energy densities compared to similar technologies, positioning it as a potential game-changer in power generation. TRBs integrate two scalable and well-established unit operations: a redox flow battery and a distillation column. This integration suggests that once an effective TRB chemistry is established, the pathway to commercialization could be expedited. The copper-based thermally regenerative ammonia battery (Cu aq -TRAB) stands out as the first TRB that circumvents electrodeposition/dissolution reactions, stabilizing Cu(I) and Cu(II) within the electrolyte and maintaining stability of all electroactive species in an aqueous phase. This stabilization has led to improvements in coulombic efficiency, open circuit potential, and copper solubility, thereby enhancing power density, energy density, and overall energy efficiency. Preliminary tests were conducted to determine the effects of various electrolyte species on the performance metrics of the battery, both theoretically and experimentally. These tests revealed that the solubility of copper in the Cu aq -TRAB electrolyte was constrained by the Cu(I)-NH 3 complex. Adjusting the background electrolyte to 5 M NH4Br and the ligand concentration to 4 M NH 3 enabled the copper concentration to reach a maximum of 0.6 M. This modification led to an estimated theoretical maximum energy density of 9.5 Wh L -1 for the Cu aq -TRAB. Additionally, full cell testing indicated a tradeoff between peak power and energy density with varying copper and ammonia concentrations. Increasing the applied current density during discharge linearly raised the average power output, with a minimal reduction in energy density due to a balance between higher ohmic overpotential and reduced time for undesirable ammonia crossover. Furthermore, a comprehensive numerical sensitivity analysis of the complete Cu aq -TRAB system was performed. This analysis aimed to assess how the battery and the distillation column responded to changes in system input parameters, providing insights into optimal research directions for enhancing system performance. The analysis revealed that at room temperature, battery power was significantly more sensitive to ohmic losses than to mass transfer, with reaction rates having minimal impact. This trend continued even at higher temperatures. Also, the thermal energy required for ammonia separation was studied, showing that increased temperatures generally reduced energy requirements, except in low-pressure scenarios above 65 °C. An investigation into membrane performance in the Cu aq -TRAB was undertaken, given the significant impact of ammonia transport control and ohmic losses on system performance. Various membranes were evaluated to identify key performance metrics. Among the tested membranes, Selemion CMVN exhibited the highest performance, with a peak power density of 84 mW cm -2 and average values of 26 ± 6.8 mW cm -2 for power density and 2.9 Wh L -1 for energy density at an applied current density of 50 mA cm -2 . An economic assessment indicated a levelized cost of storage at $410 per MWh under optimal conditions, highlighting the commercial potential of the Cu aq -TRAB when utilizing cost-effective, readily available materials.
25 ENERGY STORAGE↗
Microwave-Assisted Fabrication of High Energy Density Binary Metal Sulfides for Enhanced Performance in Battery Applications
Nanomaterials have found use in a number of relevant energy applications. In particular, nanoscale motifs of binary metal sulfides can function as conversion materials, similar to that of analogous metal oxides, nitrides, or phosphides, and are characterized by their high theoretical capacity and correspondingly low cost. This review focuses on structure–composition–property relationships of specific relevance to battery applications, emanating from systematic attempts to either (1) vary and alter the dimension of nanoscale architectures or (2) introduce conductive carbon-based entities, such as carbon nanotubes and graphene-derived species. In this study, we will primarily concern ourselves with probing metal sulfide nanostructures generated by a microwave-mediated synthetic approach, which we have explored extensively in recent years. This particular fabrication protocol represents a relatively facile, flexible, and effective means with which to simultaneously control both chemical composition and physical morphology within these systems to tailor them for energy storage applications.
25 ENERGY STORAGE↗
High‐Energy‐Density Chelated Chromium Flow Battery Electrolyte at Neutral pH
Abstract High‐concentration operation of redox flow batteries (RFBs) is essential for increasing their energy‐storage capacity, but non‐acidic electrolytes struggle to achieve the high concentrations of metal ions dissolved in acid, limiting the development of energy‐dense neutral pH electrolytes. We report neutral pH RFB operation of chromium 1,3‐propylenediaminetetraacetate (CrPDTA) at concentrations of 1.2 M at room temperature and 1.6 M at 40 °C, demonstrating 60% higher negolyte capacity, up to 42.9 Ah L −1 , than previously reported for non‐additive‐utilizing solutions of this promising material. With extended full cell cycling, we demonstrate the importance of buffer selection and pH when using the Fumasep E‐620(K) membrane. Finally, we expand the pH operation range of CrPDTA to pH 7, which when cycled at 100 mA cm −2 against a ferrocyanide posolyte demonstrated excellent coulombic efficiencies >99.7% and energy efficiencies >87%, while operating at almost 700 mV more negative than the thermodynamic hydrogen evolution window.
Chemistry↗
Reversible Iron Oxyfluoride (FeOF)–Graphene Composites as Sustainable Cathodes for High Energy Density Lithium Batteries
Two large barriers are impeding the wide implementation of electric vehicles, namely driving-range and cost, primarily due to the low specific energy and high cost of mono-valence cathodes used in lithium-ion batteries. Iron is the ideal element for cathode materials considering its abundance, low cost and toxicity. However, the poor reversibility of (de)lithiation and low electronic conductivity prevent iron-based high specific energy multi-valence conversion cathodes from practical applications. In this work, a sustainable FeOF nanocomposite is developed with extraordinary performance. The specific capacity and energy reach 621 mAh g –1 and 1124 Wh kg –1 with more than 100 cycles, which triples the specific capacity, and doubles the specific energy of current mono-valence intercalation LiCoO 2 . This is the result of an effective approach, combing the nanostructured FeOF with graphene, realized by making the (de)lithiation reversible by immobilizing FeOF nanoparticles and the discharge products over the graphene surface and providing the interparticle electric conduction. Importantly, it demonstrates that introducing small amount of graphene can create new materials with desired properties, opening a new avenue for altering the (de)lithiation process. Finally, such extraordinary performance represents a significant breakthrough in developing sustainable conversion materials, eventually overcoming the driving range and cost barriers.
25 ENERGY STORAGE↗
Towards accurate orbital-free simulations: A generalized gradient approximation for the noninteracting free energy density functional
For orbital-free ab initio molecular dynamics, especially on systems in extreme thermodynamic conditions, we provide the first pseudo-potential-adapted generalized gradient approximation (GGA) functional for the non-interacting free energy. This is achieved by systematic finite-temperature extension of our recent LKT ground state non-interacting kinetic energy GGA functional (Phys. Rev. B 98, 041111(R) (2018)). We test the performance of the new functional first via static lattice calculations on crystalline aluminum and silicon. Then we compare deuterium equation of state results against both path-integral Monte Carlo and conventional (orbital-dependent) Kohn-Sham results. The new functional, denoted LKTF, outperforms the previous best semi-local free energy functional, VT84F (Phys. Rev. B 88, 161108(R) (2013)), and provides modestly faster simulations. Finally, we discuss subtleties of identification of kinetic and entropic contributions to non-interacting free-energy functionals obtained by extension from ground state orbital-free kinetic energy functionals.
71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
Beyond energy density: flow battery design driven by safety and location
Using satellite imagery we show that the installation footprint of grid-scale lithium-ion batteries is often comparable to much less energy-dense technologies such as aqueous battery systems.
Reber, David↗
Influence of energy density on the microstructure, growth orientation, and anisotropy of magnetic properties in additively manufactured Fe-3.8wt%Si transformer steels
Fe-3.8wt%Si transformer steels were processed using two different additive manufacturing (AM) techniques, laser powder bed fusion (LPBF) and directed energy deposition (DED). While the LPBF processed samples exhibited a strong <001> orientation of the BCC grains along the build axis, the DED processed samples exhibited a randomized texture along the build axis. DED processed samples showed substantially coarser columnar grains as compared to their LPBF counterparts. Here, the columnar grains exhibited a substantial number of low-angle sub-grain boundaries. All samples exhibited very good soft magnetic properties, with saturation magnetization (M s ) values ranging from 205 - 232 emu/gm, and coercivity (H c ) values ranging from 1.2 – 4.2 Oe. The Coercivity (H c ) values were significantly lower when the magnetic field was applied parallel to the build axis, as compared to being perpendicular, which can be rationalized based on the columnar nature of the grains, resulting in a higher number density of grain boundaries in case of the field applied perpendicular to the build axis.
36 MATERIALS SCIENCE↗
Design and performance characterisation of the HAPG von Hámos Spectrometer at the High Energy Density Instrument of the European XFEL
The von Hámos spectrometer setup at the HED instrument of the European XFEL is described in detail. The spectrometer is designed to be operated primarily between 5 and 15 keV to complement the operating photon energy range of the HED instrument. Four Highly Annealed Pyrolitic Graphite (HAPG) crystals are characterised with thicknesses of 40 μm or 100 μm and radius-of-curvature 50 mm or 80 mm, in conjunction with either an ePix100 or Jungfrau detector. The achieved resolution with the 50 mm crystals, operated between 6.5 and 9 keV, matches that reported previously: ~8 eV for a thickness of 40 μm, whereas, with an 80 mm crystal of thickness 40 μm, the resolution exceeds that expected. Namely, a resolution of 2 eV is demonstrated between 5–6 keV implying a resolving power of 2800. Therefore, we posit that flatter HAPG crystals, with their high reflectivity and improved resolving power, are a powerful tool for hard x-ray scattering and emission experiments allowing unprecedented measurements of collective scattering in a single shot.
47 OTHER INSTRUMENTATION↗
DEVELOPMENT OF NICKEL RICH AND CONCENTRATION GRADIENT CATHODE MATERIALS FOR HIGH ENERGY DENSITY AND LONG CYCLE-LIFE LITHIUM ION BATTERIES USING CONTROLLED MICRO-AEROSOL PYROLYSIS
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25 ENERGY STORAGE↗
Ultrahigh power and energy density in partially ordered lithium-ion cathode materials
There is an intensive search for high-performance cathode materials for rechargeable batteries. In this work the authors report that oxyfluorides with partial spinel-like cation order, made from earth-abundant elements, display both exceptionally high energy and power. The rapid market growth of rechargeable batteries requires electrode materials that combine high power and energy and are made from earth-abundant elements. In this paper we show that combining a partial spinel-like cation order and substantial lithium excess enables both dense and fast energy storage. Cation overstoichiometry and the resulting partial order is used to eliminate the phase transitions typical of ordered spinels and enable a larger practical capacity, while lithium excess is synergistically used with fluorine substitution to create a high lithium mobility. With this strategy, we achieved specific energies greater than 1,100 Wh kg -1 and discharge rates up to 20 A g -1 . Remarkably, the cathode materials thus obtained from inexpensive manganese present a rare case wherein an excellent rate capability coexists with a reversible oxygen redox activity. Our work shows the potential for designing cathode materials in the vast space between fully ordered and disordered compounds.
25 ENERGY STORAGE↗
Thin-Film Electrolytes for High-Energy-Density and Low-Cost Polychalcogenide-Based Redox Flow Batteries
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25 ENERGY STORAGE↗
Cherenkov Gamma Ray Detectors on High-Energy-Density Systems
Cherenkov gamma ray detectors are a valuable diagnostic technique for HED systems. Inertial confinement fusion is working towards high gain ignition. Gamma rays from ICF systems can help inform the degradation mechanisms preventing ignition: Carbon ablator is not being degraded, unlike the DT fuel; carbon γ timing can estimate shell energy during bangtime and may suggest hot spot cooling rate; and Cherenkov detectors are also used for high spatial and temporal resolution ICF mix studies on OMEGA. Cherenkov systems also inform energy spectrum of radiographic sources: ARC laser and Mercury pulsed power machine.
46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗