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At least 235 records · Page 13

Lithium metal electrodes and batteries thereof

The present disclosure is generally related to separators for use in lithium metal batteries, and associated systems and products. Certain embodiments are related to separators that form or are repaired when an electrode is held at a voltage. In some embodiments, an electrochemical cell may comprise an electrolyte that comprises a precursor for the separator.

Chiang, Yet-Ming↗

Lithium metal electrodes and batteries thereof

The present disclosure is generally related to separators for use in lithium metal batteries, and associated systems and products. Certain embodiments are related to separators that form or are repaired when an electrode is held at a voltage. In some embodiments, an electrochemical cell may comprise an electrolyte that comprises a precursor for the separator.

Chiang, Yet-Ming↗

Suppressing electrolyte-lithium metal reactivity via Li + -desolvation in uniform nano-porous separator

Lithium reactivity with electrolytes leads to their continuous consumption and dendrite growth, which constitute major obstacles to harnessing the tremendous energy of lithium-metal anode in a reversible manner. Considerable attention has been focused on inhibiting dendrite via interface and electrolyte engineering, while admitting electrolyte-lithium metal reactivity as a thermodynamic inevitability. Here, we report the effective suppression of such reactivity through a nano-porous separator. Calculation assisted by diversified characterizations reveals that the separator partially desolvates Li + in confinement created by its uniform nanopores, and deactivates solvents for electrochemical reduction before Li 0 -deposition occurs. The consequence of such deactivation is realizing dendrite-free lithium-metal electrode, which even retaining its metallic lustre after long-term cycling in both Li-symmetric cell and high-voltage Li-metal battery with LiNi 0.6 Mn 0.2 Co 0.2 O 2 as cathode. The discovery that a nano-structured separator alters both bulk and interfacial behaviors of electrolytes points us toward a new direction to harness lithium-metal as the most promising anode.

25 ENERGY STORAGE↗

Recent Advances in Corrosion Science Applicable To Disposal of High-Level Nuclear Waste

High level radioactive waste is accumulating at temporary storage locations around the world and will eventually be placed in deep geological repositories. Many different types of geological formation are under consideration, but all will eventually allow water to contact the metallic waste containers considering that the period of performance required to allow sufficient decay of dangerous radionuclides is on the order of 105 – 106 years. Corrosion of the containers and waste forms in the aqueous repository environment is therefore a concern. This review describes the recent advances of the field of materials corrosion based on the work of the Center for Performance and Design of Nuclear Waste Forms and Containers (WastePD) to address the issues associated with the long-term performance assessment and the design of materials with improved performance, where performance is defined as resistance to aqueous corrosion. Glass, crystalline ceramics, and metals are discussed separately, and then the near field interactions of these different materials classes are addressed. Recommendations for future directions are provided.

Frankel, Gerald↗

Chemical Potential Driven Reorganization of Anions between Stern and Diffuse Layers at the Air/Water Interface

We report ion adsorption and transfer at charged interfaces play key roles in various industrial and environmental processes. Molecular scale details of ion-ion, ion-water, and ion-surface interactions are still debated. Complex ions, such as SCN - and SeCN - , are particularly interesting due to their unexpected adsorption trends. Here, we combine vibrational sum frequency generation (VSFG) spectroscopy and surface-sensitive synchrotron X-ray studies to provide a detailed description of SeCN - adsorption at a floating charged monolayer. Polarimetry studies show that the average orientation of SeCN - anions with respect to the surface normal decreases from 45° to 22° with the increasing KSeCN concentration. Interfacial SeCN - coverage saturates at very low bulk concentrations, but their orientational organization, distribution between Stern and diffuse layers, and effects on the hydrogen-bonding network of the interfacial water continue to change with increasing bulk KSeCN concentration. These results show that the increasing chemical potential may lead to further reorganization of the adsorbed ions, even though the total interfacial ion population does not change. The reorganization of the interfacial ions and the water may be very important in chemical separations of heavy metals, where metal-anion complexes drive the selective ion transfer at aqueous interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Excitonic Mott insulator in a Bose-Fermi-Hubbard system of moiré WS 2 /WSe 2 heterobilayer

Understanding the Hubbard model is crucial for investigating various quantum many-body states and its fermionic and bosonic versions have been largely realized separately. Recently, transition metal dichalcogenides heterobilayers have emerged as a promising platform for simulating the rich physics of the Hubbard model. In this work, we explore the interplay between fermionic and bosonic populations, using a WS 2 /WSe 2 heterobilayer device that hosts this hybrid particle density. We independently tune the fermionic and bosonic populations by electronic doping and optical injection of electron-hole pairs, respectively. This enables us to form strongly interacting excitons that are manifested in a large energy gap in the photoluminescence spectrum. The incompressibility of excitons is further corroborated by observing a suppression of exciton diffusion with increasing pump intensity, as opposed to the expected behavior of a weakly interacting gas of bosons, suggesting the formation of a bosonic Mott insulator. We explain our observations using a two-band model including phase space filling. Our system provides a controllable approach to the exploration of quantum many-body effects in the generalized Bose-Fermi-Hubbard model.

36 MATERIALS SCIENCE↗

Static and dynamic spin properties in the quantum triangular lattice antiferromagnet Ag 2 CoO 2

In Ag 2 CoO 2 , Co forms triangular lattice layers, which are separated by the metallic (Ag 2 ) block. The magnetic susceptibility and heat capacity measurements show that this material exhibits an antiferromagnetic transition at T N =17.5 K and the Weiss temperature (T Θ ) and the effective moment are -274 K and 1.62μ B , respectively, indicating that the Co ion carries spin (S) 1/2 and has a strongly frustrated state with T Θ /T N =15.7. A density functional theory calculation confirmed that the valence state of the Co ions is 2+ and the low-spin state with S=1/2 is realized at reduced on-site Coulomb interaction on Co. We performed elastic and inelastic neutron scattering experiments in a powder sample of Ag 2 CoO 2 . Although no noticeable magnetic Bragg peaks were observed below T N , distinct magnetic excitations were observed in the inelastic neutron scattering experiments. The excitations are consistent with those expected for the S=1/2 Heisenberg triangular lattice antiferromagnet. These results suggest that the ordered moment is reduced due to the quantum effect, which explains the absence of the magnetic Bragg peaks. Our results thus suggest that Ag 2 CoO 2 is a good candidate to realize a quantum Heisenberg triangular lattice antiferromagnet.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Nuclear Weapons Production – Materials Cycle [Slides]

Presentation Overview: This presentation will familiarize participants with the production of plutonium, its separation, conversion to metal, casting, machining, and assembly of special nuclear materials common to nuclear weapons, and the disposal of nuclear waste. Focus in this talk is plutonium (in future briefings we will broaden to include other materials).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Cooperative Research and Development Agreement between National Energy Technology Laboratory and The Pennsylvania State University (Final Report)

The goal of this research was to investigate the production of carbon products from methane using carbon allotrope seeds. If successful, this would have eliminated the need for a metal catalyst and separation of said catalyst from the carbon product. There was also interest in alternate energy input technologies that could drive this reaction, in particular microwave irradiation. NETL was to provide the expertise and facilities to investigate the potential of microwave irradiation to aid in the conversion process. Unfortunately, protocols put in place to mitigate the COVID-19 pandemic precluded on-site research by PSU scientists and made it impossible to execute the research outlined in this CRADA.

03 NATURAL GAS↗

Soft Coiled Pneumatic Actuator with Integrated Length-Sensing Function for Feedback Control

SPIRA Coil actuators are formed from thin sheets of PET plastic laminated into a coil shape that unfurls like a “party horn” when inflated, while many soft actuators require large pressures to create only modest strains, SPIRA Coils can easily be designed and fabricated to extend over dramatic distances with relatively low working pressures. Internal metalized PET strips separate in the extended portion of the actuator, creating an electrical circuit with a resistance that corresponds to the actuator length. This paper presents and experimentally validates easy-to-use design models for the actuators’ self-retracting spring stiffness, its pneumatic extension force, and its internal length-sensing electrical resistance. Testing of the self-sensing capabilities demonstrates that the embedded sensor can be used to determine the actuator length with virtually no hysteresis. Feedback control with the resistance-based sensing resulted in length-control errors within 5% of the extended actuator length (i.e., 3 cm of 60 cm).

Greenwood, Jacob R. (ORCID:0000000310897854)↗

Rechargeable lithium-hydroxide based non-aqueous lithium oxygen batteries

An electrochemical device includes an air cathode; a lithium-containing anode metal; a porous separator; and a non-aqueous electrolyte comprising a lithium salt, a sodium salt, and a solvent; wherein the electrochemical device is a lithium-air battery. A total concentration of the lithium salt and the sodium salt in the non-aqueous electrolyte may be from about 0.001 M to about 7 M.

25 ENERGY STORAGE↗

Photogenerated Charge Separation in a CdSe Nanocluster Encapsulated in a Metal–Organic Framework for Improved Photocatalysis

Nanoclusters encapsulated in a metal–organic framework (MOF) are the subject of intense interest because of their high promise for photocatalysis. We show computationally that a CdSe nanocluster incorporated into NU-1000 (Cd 6 Se 6 @NU-1000) allows electron transfer from a visible-light photo-excited organic linker to the lowest unoccupied crystal orbital of the inorganic cluster, which can lead to charge separation. Substituents on the linker can be used to tune the band position and the band gap of the whole composite (Cd 6 Se 6 @NU-1000), and this makes it possible to perform the water splitting reaction under visible light. Here, the achievement of charge separation within the MOF leads to longer life of the excited states, and as a result, it can enhance the photocatalytic activity of the system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Electrolytes for lithium metal electrodes and rechargeable batteries using same

The present invention is generally related to separators for use in lithium metal batteries, and associated systems and products. Certain embodiments are related to separators that form or are repaired when an electrode is held at a voltage. In some embodiments, an electrochemical cell may comprise an electrolyte that comprises a precursor for the separator.

Chiang, Yet-Ming↗

Gas transport characteristics of supramolecular networks of metal-coordinated highly branched Poly(ethylene oxide)

Model systems are developed and investigated to better understand the effect of polyether-metal ion interactions on gas separation characteristics. These systems help answer current questions raised by the substantial body of research on metal-organic frameworks (MOFs) dispersed in polyethers to improve gas separation performance, where favorable interactions between the metal centers and polyethers are preferred to improve interfacial compatibility. Specifically, we investigate CO 2 /gas transport properties of supramolecular networks comprising cross-linked poly(ethylene oxide) (XLPEO) and dissociable salts, including LiClO 4 , Ni(BF 4 ) 2 , and Cu(BF 4 ) 2 . Increasing the salt content increases the glass transition temperature (T g ) and generally decreases gas diffusivity and permeability, which can be successfully described using a T g -integrated free volume model with an expression similar to the Vogel-Tammann-Fulcher (VTF) equation. Surprisingly, low loadings of LiClO 4 and Cu(BF 4 ) 2 (2 mass% or less) can increase gas permeability by 30%–70% without affecting the CO 2 /gas selectivity. This increase correlates with polyether-metal ion dynamics as measured by dielectric spectroscopy. Understanding how interaction-mediated dynamics affect gas transport will be instrumental to designing MOF-based mixed matrix materials for gas separations.

36 MATERIALS SCIENCE↗

Preferential Direction of Electron Transfers at a Dye–Metal Oxide Interface with an Insulating Fluorinated Self-Assembled Monolayer and MgO

Slowing non-desirable electron transfer reactions at metal oxide-dye interfaces is important for many technologies. Specifically, after an interfacial photoinduced charge separation event at a metal oxide-dye interface, it is critically important to limit the rate of electron transfer reactions back to sensitizers and to limit electron transfer reactions between the electrolyte and the metal oxide. Ruthenium-based dyes at metal oxide interfaces are widely used in many fields; however, these dyes often have poor surface insulation resulting in fast recombination kinetics with transition metal-based redox shuttles in an electrolyte. This work explores two semiconductor surface modification strategies designed to minimize recombination events of electrons in TiO 2 with oxidized redox shuttles using a fluorinated siloxane insulator (PFTS) and a metal oxide insulator (MgO) with a well-known Ru dye, B11. Additionally, the influence of these treatments on the rate and duration of photoinduced interfacial charge separation at the TiO 2 -dye interface was examined. The TiO 2 -dye-redox shuttle systems were studied via dye-sensitized solar cell current-voltage curve, incident photon-to-current conversion efficiency, small-modulated photovoltage transient, time-correlated single photon counting, and transient absorption spectroscopy measurements. MgO was found to decrease the rate of the electron transfer reaction from the metal oxide to the electrolyte, decrease the rate of the electron transfer reaction to the oxidized dye from TiO 2 , increase the electron transfer reaction rate from a reduced redox shuttle to an oxidized dye, and decrease the electron injection rate from the photoexcited dye to TiO2. Interestingly, PFTS was found to desirably improve on these rates relative to MgO or untreated TiO 2 . Here, a model based on electrostatic interactions is presented to explain the exceptional behavior of PFTS with DFT computational analysis of PFTS supporting this model.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hot Pressing of Reinforced Li-NMC All-Solid State Batteries with Sulfide Glass Electrolyte

The performance of solid-state batteries (SSBs) with sulfide solid-state electrolytes (SSEs) is limited because they are 10 - 30% porous. Porosity limits energy density of the composite cathode and provides a conduit for Li-metal deposits through the separator if operating specifications (e.g. current density, operating temperature, and pressure) are not strictly controlled. This project focused on demonstrating that hot press cell processing and appropriately formulated sulfide glass SSEs can help eliminate porosity to enable SSBs with energy density of ≥ 350 Wh/kg. The objective of the project was to research, develop, and test SSBs capable of achieving program performance metrics by implementing appropriately formulated sulfide glass SSEs and hot press cell processing in a dry room environment. In the composite cathode, hot pressing helps eliminate porosity to increase energy density by enabling thick composite cathodes with high active material loading. In the separator, hot pressing helps eliminate porosity that may otherwise provide a conduit for Li metal deposits to short the cell.

25 ENERGY STORAGE↗

Development of Process Flowsheets for the Recovery of Metals by Solvent Extraction to Recycle Battery Materials: Evaluation of Application of AMUSE Code. Final CRADA Report

RSR Technologies (RSRT) wished to investigate the use of the AMUSE solvent extraction code, housed at Argonne National Laboratory (ANL) to evaluate the recycling of battery cells for the reclamation of metal values. The modeling studies were undertaken by the group at ANL to evaluate several separation schemes for battery metals using solvent extraction. These studies would develop a framework to be experimentally validated at RSRT at its facility in Dallas, TX. The AMUSE code modeling work would speed the development of recovery flowsheets for spent batteries.

25 ENERGY STORAGE↗