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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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Iron( iii ) hydroxide phosphate hydrate Fe 1.13 (PO 4 )(OH) 0.39 (H 2 O) 0.61 is investigated for the first time as a Na-ion battery cathode. The material exhibits similar storage capacities for Na- and Li-ions at relatively low current rates ( i.e. C/10).
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Enabling the lithium metal anode has been the holy grail for improving the energy density for the next generation advanced batteries. Developing electrolytes that will suppress Li dendrite growth and provide sufficient ionic conductivity remains a major challenge in this field. In this study, we develop a polymer–ceramic composite electrolyte for lithium metal batteries. The polymer matrix is a vinyl ethylene carbonate (VEC) based single-ion-conducting polymer electrolyte. The ceramic filler is a Li 7 La 3 Zr 0.5 Nb 0.5 Ta 0.5 Hf 0.5 O 12 high-entropy Li-garnet (HE Li-garnet) ceramic, which is less prone to surface Li 2 CO 3 formation compared to Al-doped Li garnets. The addition of HE Li-garnet leads to a 7-fold increase in the ionic conductivity (8.6 × 10 −5 S cm −1 at 30 °C) compared to the pure polymer, while maintaining a high Li + transference of 0.73. Proton nuclear magnetic resonance and thermogravimetric analysis results suggest that the addition of HE Li-garnet results in a lower degree of polymerization of VEC, leaving more unpolymerized VEC monomers in the matrix, serving as the governing mechanism for conductivity enhancement. The favorable interactions between HE Li-garnet particles and the polymer matrix lead to a stable and well-mixed composite with 2-fold enhancement of storage modulus at 40 °C. The simultaneous ion transport and mechanical property enhancement significantly improves the composite electrolyte's dendrite resistance and cycle life in Li symmetric cells. This work highlights the positive role HE Li-garnet can play in improving polymer electrolytes to enable lithium metal anodes.
The Argonne Tandem Linac Accelerator System (ATLAS) at Argonne National Laboratory (ANL) paused production of carbon-14 ion beams with the removal of the Tandem Van de Graaff in 2013. Installation of ECR3, an Electron Cyclotron Resonance Ion Source, returned that production capability to ATLAS, with the first C-14 beam delivered in December 2020. Information is presented on C-14 beam current, gas consumption and N-14 filtering techniques using stripping foils at different sections of ATLAS. ECR3 also fulfilled the operational goal of adding flexibility to ATLAS stable beam production capabilities. Beneficial impacts to ATLAS operation, beam development and experimental programs are discussed.
The deconfined quark-gluon plasma (QGP) created in relativistic heavy-ion collisions enables the exploration of the fundamental properties of matter under extreme conditions. Noncentral collisions can produce strong magnetic fields on the order of 10 18 G , which offers a probe into the electrical conductivity of the QGP. In particular, quarks and antiquarks carry opposite charges and receive contrary electromagnetic forces that alter their momenta. This phenomenon can be manifested in the collective motion of final-state particles, specifically in the rapidity-odd directed flow, denoted as v 1 ( y ) . Here, we present the charge-dependent measurements of d v 1 / d y near midrapidities for π ± , K ± , and p ( p ¯ ) in Au + Au and isobar ( Ru 44 96 + Ru 44 96 and Zr 40 96 + Zr 40 96 ) collisions at s NN = 200 GeV , and in Au + Au collisions at 27 GeV, recorded by the STAR detector at the Relativistic Heavy Ion Collider. The combined dependence of the v 1 signal on collision system, particle species, and collision centrality can be qualitatively and semiquantitatively understood as several effects on constituent quarks. While the results in central events can be explained by the u and d quarks transported from initial-state nuclei, those in peripheral events reveal the impacts of the electromagnetic field on the QGP. Our data put valuable constraints on the electrical conductivity of the QGP in theoretical calculations. Published by the American Physical Society 2024
A lepidocrocite-structured sodium titanate prepared by ion-exchange of a Cs-containing precursor shows promise as an anode material for sodium ion batteries, with a discharge capacity of up to 229 mAh g -1 at an average potential of about 0.6 V vs. Na + /Na. Titanium vacancies in the metal oxide layers provide additional sites for sodium intercalation in addition to interlayer sites, which accounts for the higher capacity compared to other previously reported lepidocrocite-structured titanates. By screening a series of electrolyte formulations and binders, we were able to improve the first-cycle coulombic efficiency to 81.8% and 94.7% respectively using CMC/SBR-based and binder-free electrodes in ether electrolytes. Finally, the electrochemical consequences of short-term air-exposure on the electrodes are also discussed.
The design of the electron-ion collider EIC to be constructed at Brookhaven National Laboratory has been continuously evolving towards a realistic and robust design that meets all the requirements set forth by the nuclear physics community in the White Paper. Over the past year activities have been focused on maturing the design, and on developing alternatives to mitigate risk. These include improvements of the interaction region design as well as modifications of the hadron ring vacuum system to accommodate the high average and peak beam currents. Beam dynamics studies have been performed to determine and optimize the dynamic aperture in the two collider rings and the beam-beam performance. We will present the EIC design with a focus on recent developments.
Efficient realization of the scientific potential of the Electron Ion Collider (EIC) calls for addition of a future second Interaction Region (2nd IR) and a detector in the RHIC IR8 region after the EIC project completion. The second IR and detector are needed to independently cross-check the results of the first detector, and to provide measurements with complementary acceptance. The available space in the existing RHIC IR8 and maximum fields achievable with NbTi superconducting magnet technology impose constraints on the 2nd IR performance. Since commissioning of the 2nd IR is envisioned in a few years after the first IR, such a long time frame allows for more R&D on the Nb₃Sn magnet technology. Thus, it could provide a potential alternative technology choice for the 2nd IR magnets. Presently, we are exploring its potential benefits for the 2nd IR performance, such as improvement of the luminosity and acceptance, and are also assessing the technical risks associated with use of Nb₃Sn magnets. In this paper, we present the current progress of this work.
Understanding short-range correlations between pairs of nucleons in the nucleus is an important nuclear physics topic that can address longstanding mysteries in nuclear physics such as the behavior of dense nuclear systems and the modification of parton distributions. As a collider and with a large acceptance detector, the Jefferson Lab version of the Electron Ion Collider has unique capabilities that are complementary to previous short-range correlation studies, most notably the ability to more fully reconstruct the final state. Optimization of the collider’s detector to maximally exploit these capabilities called for important extensions of existing simulation tools. For this one year laboratory directed research and development project, we upgraded the benchmark electron-nucleon event generator for lepto-production simulation code Benchmark eA Generator for LEptoproduction (BeAGLE) to be able to handle tagged medium-to-heavy nucleons. This included updating the code to correctly handle Fermi motion of nucleons in the nucleus as well as the large momentum caused by short-range correlations. In addition, we also investigated the possibility of improved kinematic reconstruction methods for electron nucleon collisions and looked at pair-spectator tagging of short-range correlations with the Jefferson Lab electron ion collider design. The project progressed very much as planned.
Extensive use of Li-ion batteries in electric vehicles, electronics, and other energy storage applications has resulted in a need to recycle valuable metals Li, Mn, Ni, and Co in these devices. In this work, an aqueous mixture of glycolic and lactic acid is shown as an excellent leaching agent to recover these critical metals from spent Li-ion laptop batteries combined with cathode and anode coatings without adding hydrogen peroxide or other reducing agents. An aqueous acid mixture of 0.15 M in glycolic and 0.35 M in lactic acid showed the highest leaching efficiencies of 100, 100, 100, and 89% for Li, Ni, Mn, and Co, respectively, in an experiment at 120 °C for 6 h. Subsequently, the chelate solution was evaporated to give a mixed metal-hydroxy acid chelate gel. Pyrolysis of the dried chelate gel at 800 °C for 15 h could be used to burn off hydroxy acids, regenerating lithium nickel manganese cobalt oxide, and the novel method presented to avoid the precipitation of metals as hydroxide or carbonates. The Li, Ni, Mn, and Co ratio of regenerated lithium nickel manganese cobalt oxide is comparable to this metal ratio in pyrolyzed electrode coating and showed similar powder X-ray diffractograms, suggesting the suitability of α-hydroxy carboxylic acid mixtures as leaching agents and ligands in regeneration of mixed metal oxide via pyrolysis of the dried chelate gel.
Oxygen non-stoichiometry is a fundamental feature of mixed ion and electron conductors (MIECs). In this work a general electrochemical method for determining non-stoichiometry in thin film MIECs, via measurement of the chemical capacitance, is demonstrated using ceria and ceria-zirconia (Ce 0.8 Zr 0.2 O 2-δ ) as representative materials. A.C. impedance data are collected from both materials at high temperature (750-900 °C) under reducing conditions with oxygen partial pressure (pO 2 ) in the range 10-13 to 10-20 atm. Additional measurements of ceria-zirconia films are made under relatively oxidizing conditions with pO 2 in the range 0.2 to 10 -4 atm and temperatures of 800-900 °C. Under reducing conditions, the impedance spectra are described by a simple circuit in which a resistor is in series with a resistor and capacitor in parallel, and thickness dependent measurements are used to resolve the capacitance into interfacial and chemical terms. Under more oxidizing conditions, the impedance spectra (of Ce 0.8 Zr 0.2 O 2-δ ) reveal an additional diffusional feature, which enables determination of the ionic resistance of the film in addition to the capacitance, and hence the transport properties. A generalized mathematical formalism is presented for recovering the non-stoichiometry from the chemical capacitance, without recourse to defect chemical models. The ceria non-stoichiometry values are in good agreement with literature values determined by thermogravimetric measurements but display considerably less scatter and are collected on considerably shorter timescales. Here, the thermodynamic analysis of Ce 0.8 Zr 0.2 O 2-δ corroborates earlier findings that introduction of Zr into ceria enhances its reducibility.
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Lithium (Li)-rich manganese (Mn)-rich oxide (LMR) cathode materials, despite of the high specific capacity up to 250 mAh g-1 suffer from instability of cathode/electrolyte interfacial layer at high working voltages, causing continuous voltage decay and capacity fading, especially at elevated temperatures. In various battery systems, localized high-concentration electrolytes (LHCEs) have been widely reported as a promising candidate to form effective electrode/electrolyte interphases. Here, an optimized LHCE is studied in graphite (Gr)-based full cells being cycled at 25, 45 and 60 °C with the reference of a conventional LiPF6-based electrolyte. It is revealed that the LHCE can effectively suppress continuous electrolyte decompositions and mitigate the dissolution of Mn ions due to the formation of more protective electrode/electrolyte interphases on both anode and cathode, which, in turn, lead to significantly improved cycling stability and enhanced rate capability under the selected temperatures. The mechanistic understanding on the failure of the conventional LiPF6-containing electrolyte and the function of the LHCE in Gr||LMR cells under high temperatures provides valuable perspectives of electrolyte development for practical application of LMR cathodes in high energy density batteries over a wide temperature range.
We report the synthesis and characterization of a highly conjugated bisferrocenyl pyrrolediimine ligand, Fc 2 PyrDIH (1), and its trinuclear complexes with rare earth ions—(Fc 2 PyrDI)M(N(TMS) 2 ) 2 (2-M, M = Sc, Y, Lu, La). Crystal structures, NMR spectra, and UV/Vis-NIR data are presented. The latter are in good agreement with DFT calculations, illuminating the impact of the rare earth ionic radius on NIR charge transfer excitations. For [2-Sc] + , the charge transfer is at 11500 cm -1 , while for [2-Y] + only a d-d transition at 8000 cm -1 is observed. Lu has an ionic radius in between Sc and Y, and the [2-Lu] + complex exhibits both transitions. From TDDFT analysis we assign the 11500 cm -1 transition as a mixture of MLCT and MMCT, rather than pure metal-to-metal CT, because it has significant ligand character. Typically, the ferrocenes have high rotational freedom in bis-ferrocenyl mixed valent complexes. However, in the present (Fc 2 PyrDI)M(N(TMS) 2 ) 2 complexes, ligand-ligand repulsions lock the rotational freedom, so that rare earth ionic radius-dependent geometric differences increasingly influence orbital overlap as the ionic radius falls. The Marcus-Hush coupling constant HAB trends as: [2-Sc] + >[2-Lu] + >[2-Y] +
The effects of salt-doping on the morphological behavior of block copolymers are well established but remain poorly understood, partially because of the challenge of resolving electrostatics in a heterogeneous medium with low average permittivity. By employing a recently developed field theory, we analyze the phase behavior of polystyrene-b-poly(ethylene oxide) (SEO) copolymers doped with lithium bis(trifluoromethanesulfonyl)imide salts (LiTFSI). Using a single fitting parameter, the ionic solvation radius, we obtain qualitative agreement between our theory and experimental data over a range of polymer molecular weights and copolymer compositions. Such agreement supports and highlights the need of solvation free energy to accurately describe the self-assembly of ion-doped block copolymers and demonstrates that experimentally observed dependence on molecular weight, not present in neutral block copolymers, can be rationalized by solvation effects. Overall, morphological variations are stronger than those predicted by the leading, linear order theory but can be captured by the full model.
Here we present a comprehensive study of cycled high-Ni (LiNi 1–x M x O 2 , M = metals), Li-rich (Li 1+x Mn y M 1–x–y O 2 ), and high-voltage spinel (LiMn 1.5 Ni 0.5 O 4 ) electrodes with time-of-flight secondary ion mass spectrometry (TOF-SIMS) and X-ray photoelectron spectroscopy in conjunction with electrochemical techniques to better understand their evolving cathode–electrolyte interphase structure during cycling. TOF-SIMS provides fragment-specific information regarding the surface film content for each of the electrodes. High-Ni cathodes show thick surface films initially containing Li 2 CO 3 , later developing oxidized organic carbonates throughout cycling. Li-rich electrode surface films develop strong characteristics during their first activation cycles, where released O 2 oxidizes organic carbonates to form polymeric carbons and decomposes LiPF 6 . High-voltage spinel electrodes operate outside the standard electrolyte stability window, generating reactive oxidized electrolyte species that further decompose LiPF 6 . The distribution and concentration of these different chemical fragments measured by TOF-SIMS are finally summarized by color-coded high-resolution images of cycled high-Ni, Li-rich, and high-voltage spinel electrodes.