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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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At least 109 records · Page 6

Hydrous Nickel–Iron Turnbull’s Blue as a High-Rate and Low-Temperature Proton Electrode

Proton batteries are emerging as a promising solution for energy storage; however, their development has been hindered by the lack of suitable cathode materials. Herein, a hydrous Turnbull’s blue analogue (TBA) of Ni[Fe(CN) 6 ] 2/3 ·4H 2 O has been investigated as a viable proton cathode. Particularly, it shows an extremely high rate performance up to 6000 C (390 A g –1 ) at room temperature and delivers good capacity values at a low temperature of -40 °C in an aqueous electrolyte. The excellent rate capability is also amenable to high mass loadings of 10 mg cm –2 . Such fast and low-temperature rate behavior likely stems from the fast proton conduction that is afforded by the Grotthuss mechanism inside the TBA structure. Furthermore, advanced characterization, including in operando synchrotron X-ray diffraction (XRD), and X-ray absorption near-edge structure (XANES) were employed to understand the changes of crystal structures and the oxidation-states of metal elements of the electrodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NREL 25-cm2 High-Pressure Low-Temperature Electrolysis Cell Hardware (Open Source)

This data resource describes an open-source cell hardware that enables low temperature electrolysis (LTE) testing at elevated pressures. Existing commercial options have several downsides when it comes to R&D testing. They are often not designed for repeated reassembly, may not be able to accommodate porous transport layers with different thicknesses, and do not give state-of-the-art performance. Therefore, this hardware was developed specifically with LTE R&D in mind and its design is being made available to the global LTE community. This work was planned and funded by the U.S. Department of Energy's H2NEW consortium (https://h2new.energy.gov/). The hardware design package (.zip file) details the drawings, auxiliary materials, and procedures required to fabricate, assemble, and operate the National Renewable Energy Laboratory's (NREL's) high-pressure low-temperature electrolysis cells. While the hardware itself—end plates, current collectors, flow fields, bolts and washers, tube fittings—is always the same, the assembly and operating procedures may change depending on the active materials being tested, especially for the membrane. Material-specific assembly and operating procedures will be posted to the H2NEW website as they are developed and validated. Disclaimer: The documents and drawings included in this download package describe a design for a low temperature electrolysis hardware that is intended to comply with leak testing according to ASME B31.1. Safe operation at ambient and elevated pressures is the sole responsibility of the end user, which should be evaluated on a case-by-case basis for each individual cell. Factors affecting the sealing capability may depend on, for example, machining quality, cell assembly components, operating conditions, and operating history. Operation at pressure should only be performed on qualified test stands by qualified operators. NREL/ALLIANCE FOR SUSTAINABLE ENERGY, LLC/DOE DISCLAIM ALL WARRANTIES, EXPRESS OR IMPLIED, INCLUDING THE WARRANTIES OF MERCHANTABILITY OR FITNESS FOR A PARTICULAR PURPOSE, AND MAKES NO WARRANTY AS TO THE ACCURACY, COMPLETENESS, OR USEFULNESS OF ANY INFORMATION PROVIDED HEREIN. USE OF THIS PACKAGE IS AT THE USER’S OWN RISK.

08 HYDROGEN↗

Low-Temperature Annealing of CdZnTeSe under Bias

We performed a gradual low-temperature annealing up to 360 K on a CdZnTeSe radiation detector equipped with gold and indium electrodes under bias at both polarities. We observed significant changes in the detector’s resistance and space-charge accumulation. This could potentially lead to the control and improvement of the electronic properties of the detector because the changes are accompanied with the reduction in the bulk dark current and surface leakage current. In this article, we present the results of a detailed study of the internal electric field and conductivity changes in CdZnTeSe detector for various annealing steps under bias taking into account different polarities during annealing and subsequent characterization. We observed that low-temperature annealing results in an increase in the barrier height at the contacts that, in general, reduces the dark current and decreases the positive space charge present in the sample compared to the pre-annealed condition.

47 OTHER INSTRUMENTATION↗

High-pressure neutron diffraction at ultra-low temperature

Neutron diffraction is a powerful tool in the study of quantum materials and associated emergent phenomena as it allows for direct detection of magnetic structure even at ultra-low temperatures. As pressure can drive systems across quantum critical points and tune emergent behaviors at the quantum scale, coupling neutron diffraction with extreme conditions of high pressure at (ultra-)low temperatures has been a key research target over decades. This has proven challenging as magnetic neutron diffraction typically requires large sample volumes due to flux limitations, whereas high-pressure studies require small sample volumes due to pressure limitations. Combining these two contradictory requirements poses many difficulties, but also brings opportunities in research and development. Here, we address these shortcomings through the use of a diamond anvil cell equipped with polycrystalline anvils with relatively large sample volumes coupled with the high neutron flux made available by the high-pressure diffractometer of the Spallation Neutron Source. This particular diamond anvil cell configuration has previously proven useful for single-crystal samples and is here coupled with the ultra-low temperatures of a dilution refrigerator for the first time. Our study on a single crystal of Yb 2 ⁢O 3 successfully collected magnetic neutron diffraction data at 5.3 GPa below 200 mK inside a dilution refrigerator. We have performed a detailed analysis of the magnetic diffraction data to investigate the magnetic structure under pressure and observed a subtle shift in the transition temperature. This development will open the door for future studies on magnetic materials with these much-desired coupled extremes of high pressure and ultra-low temperatures.

Wu, Yan [Oak Ridge National Laboratory (ORNL), Oak↗

Probing the Electronic and Opto-Electronic Properties of Multilayer MoS 2 Field-Effect Transistors at Low Temperatures

Transition metal dichalcogenides (TMDs)-based field-effect transistors (FETs) are being investigated vigorously for their promising applications in optoelectronics. Despite the high optical response reported in the literature, most of them are studied at room temperature. To extend the application of these materials in a photodetector, particularly at a low temperature, detailed understanding of the photo response behavior of these materials at low temperatures is crucial. Here we present a systematic investigation of temperature-dependent electronic and optoelectronic properties of few-layers MoS 2 FETs, synthesized using the mechanical exfoliation of bulk MoS 2 crystal, on the Si/SiO 2 substrate. Our MoS 2 FET show a room-temperature field-effect mobility μ FE ~40 cm 2 ·V -1 ·s -1 , which increases with decreasing temperature, stabilizing at 80 cm 2 ·V -1 ·s -1 below 100 K. The temperature-dependent (50 K < T < 300 K) photoconductivity measurements were investigated using a continuous laser source λ = 658 nm (E = 1.88 eV) over a broad range of effective illuminating laser intensity, P eff (0.02 μW < P eff < 0.6 μW). Photoconductivity measurements indicate a fractional power dependence of the steady-state photocurrent. The room-temperature photoresponsivity (R) obtained in these samples was found to be ~2 AW -1 , and it increases as a function of decreasing temperature, reaching a maximum at T = 75 K. The optoelectronic properties of MoS 2 at a low temperature give an insight into photocurrent generation mechanisms, which will help in altering/improving the performance of TMD-based devices for various applications.

2D materials↗

Geothermal Play Fairway Analysis for Low-Temperature Resources in the Denver Basin

This dataset is part of an effort to highlight the advantages of incorporating low-temperature (< 150 C) geothermal resource evaluation into the implementation of combined heat and power (CHP), and geothermal direct use (GDU) technologies (e.g., space heating and/or cooling). For this Denver Basin example, resource favorability maps were created to identify potentially favorable areas for further geothermal exploration and are provided here. Favorability was based on three types of data: (1) geologic, (2) economic, and (3) risk. This raw data is also provided below. Geologic data include bottom-hole temperatures (BHT) from oil and gas wells, water co-production volumes from oil and gas wells, well groundwater levels, hot spring locations, temperatures, and chemistries, faults, and earthquakes. Economic feasibility data include population, thermal energy demand, infrastructure, and roads. Risk data (which includes data on excluded areas) include flood plains, protected lands (e.g. wildlife conservation areas, national parks). The included report describes this project in detail, covering workflows, relevant datasets, Python code, and both common and composite maps used to create low-temperature geothermal resource favorability maps for the Denver Basin, which extends across Colorado, Nebraska, and Wyoming. The figures in this report include: maps of the original datasets; maps of transformed data and derived parameters (such as the geothermal gradient or thermal conductivity); results of uncertainty analyses; results of data completeness (using the GeoRePORT tool); examples of the data combination and processing (using the geoPFA Python library, which is introduced in the attached report); favorability maps for each criteria; and a final combined favorability map. This project is designed to facilitate future deployment of CHP and GDU by providing data, tools, and a workflow applicable to low-temperature geothermal resources in sedimentary basins.

15 GEOTHERMAL ENERGY↗

HEU Systems at Low Temperatures [Slides]

This project is sponsored by the Nuclear Criticality Safety Program (NCSP) in collaboration with Lawrence Livermore National Laboratory (LLNL) with a novel interest surrounding the transportation of fissile material: there is a concern regarding the inadvertent introduction of the material in a low-temperature environment. The low-temperature environment will be bounded down to temperatures not below -40 ºC, since this is the limit allotted for packages containing general radioactive material exposed to air. Eventually, the goal of the project is to conduct experiments spanning multiple fission energies at these low temperatures, concluding in an International Criticality Safety Benchmark Evaluation Project (ICSBEP) benchmark.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Kinetics of low-temperature methane activation on IrO 2 (1 1 0): Role of local surface hydroxide species

The ability of the IrO 2 (1 1 0) surface to promote CH 4 activation at low temperatures (~150 K) suggests possibilities for developing IrO 2 -based catalysts to selectively convert light alkanes to high-value chemicals. In this study, we present experimental results and microkinetic simulations, based on density functional theory (DFT) calculations, of temperature programmed reaction spectra (TPRS) obtained for CH 4 σ-complexes adsorbed on IrO 2 (1 1 0), and focus on clarifying how surface OH groups modify the branching between CH 4 desorption, activation and subsequent reactions during TPRS. Our DFT results predict that surface OH groups strongly destabilize CH 4 σ-complexes on IrO 2 (1 1 0) in addition to deactivating surface O-atoms that are needed to achieve CH 4 activation at low temperature. We demonstrate that a microkinetic model that incorporates the influence of surface OH groups on the CH 4 binding and reactivity reproduces experimental TPRS results which show that adsorbed CH 4 σ-complexes preferentially dissociate at low CH 4 coverage, but that an increasing fraction of the adsorbed CH 4 desorbs at low temperature (~120 K) with increasing initial CH 4 or H coverage. The simulations reveal that low-temperature CH4 desorption during TPRS arises primarily from CH 4 σ-complexes that are kinetically-trapped between adjacent surface OH groups, and are thus destabilized and unable to access reactive O-atoms. In addition, when the effect of adjacent OH groups is incorporated we find that the PBE-D3 functional incorporating dispersion provides CH 4 binding energies that agree more closely with that obtained from the TPRS experiments. Overall, our results demonstrate that the local effect of adjacent OH groups must be incorporated into any microkinetic models to properly capture the selectivity between extensive and partial oxidation in alkane conversion on IrO 2 (1 1 0) under reaction conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Trace LiBF 4 Enabling Robust LiF-Rich Interphase for Durable Low-Temperature Lithium-Ion Pouch Cells

Lithium-ion batteries (LIBs) with electrolytes containing lithium tetrafluoroborate (LiBF 4 ) can achieve large capacity retention under low temperature, but the accompanying rapid capacity decay inhibits commercialization. Here, in this study, the impact of LiBF 4 as a supplemental salt to LiPF 6 is systematically investigated using low ethylene carbonate (EC)-content electrolytes, along with a low-melting-point cosolvent. It is found that rational adjustment of the amount of LiBF 4 could not only regulate the interactions of anions and solvents in Li + solvation sheaths but also tune the composition and morphology of solid electrolyte interphase (SEI). It is worth noting that electrolytes with trace amount of LiBF 4 (0.05 M) show synergetic interaction between PF 6 - and Li + and decreased interaction between EC and Li + , achieving a dense and LiF-rich SEI, which enables a 200 mAh pouch cell with less gas generation, long-lived cycling, and higher low-temperature capacity, simultaneously. This work provides new insight into utilizing trace LiBF 4 for stable interface construction of durable low-temperature LIBs.

25 ENERGY STORAGE↗

The passivity of low-temperature carburized austenitic stainless steel AISI-316L in a simulated boiling-water-reactor environment

The passive film on low-temperature-carburized AISI-316L austenitic stainless steel was studied in an oxygenated, simulated boiling-water-reactor environment with normal water chemistry. The microstructure was studied using scanning electron microscopy, grazing-incidence X-ray diffractometry, Auger electron spectroscopy, X-ray energy-dispersive spectroscopy, and transmission electron microscopy. For non-surface engineered AISI-316L, three distinct layers were observed after exposure: an outer layer of larger nickel-oxide enriched particles with the spinel structure, an intermediate layer of small Cr-oxide-enriched hematite particles, and a compact inner layer of Cr-enriched oxide also having the spinel structure. Exposure of low-temperature-carburized AISI-316L, in contrast, resulted in only two distinct layers. These layers did not include a compact Cr-rich inner layer. Instead, the innermost layer consisted of an oxide with the spinel structure that was a mixture of Fe, Cr and Ni oxide. The outer layer on the low-temperature-carburized specimen consisted of large loosely stacked particles with the spinel structure of mixed composition. In addition to passive-film characterization, the corrosion rate was studied by monitoring mass loss. Finally, after 500 h of immersion, the mass changes measured were relatively low for all specimens indicating good adhesion and low oxidation rates.

36 MATERIALS SCIENCE↗

IER-479: Final Design of Low-Temperature TEX Experiments [Slides]

This presentation discusses the final design of low-temperature Thermal Epithermal eXperiments (TEX) experiments. Designed to validate low temperature cross sections and crit safety analyses. The presentation includes discussion on Low-Temp TEX Chamber a Cryostat Chamber capable of cooling between room temp and -40c. Finally, the presentation touches on reactivity via separation where the need to know how the system will behave approaching critical as lifted into annular reflector is analyzed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Ultrasmall Pd Clusters in FER Zeolite Alleviate CO Poisoning for Effective Low-Temperature Carbon Monoxide Oxidation

Ultra small Pd 4 clusters form in the micropores of FER zeolite during low temperature treatment (100 °C) in the presence of humid CO gas. They effectively catalyze CO oxidation below 100°C, whereas Pd nanoparticles are not active as they are poisoned by CO. Using catalytic measurements, infrared (IR) spectroscopy, X-ray absorption spectroscopy (EXAFS), microscopy, and density functional theory calculations we provide the molecular level insight into this previously unreported phenomenon. Pd nanoparticles get covered with CO at low temperatures which effectively blocks O 2 activation until CO desorption occurs. Small Pd clusters in zeolites, in contrast, demonstrate fluxional behavior in the presence of CO, which significantly increases their affinity for binding O 2 . In conclusion, our study shows a pathway for achieving low temperature CO oxidation activity on the basis of well-defined Pd/zeolite system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Develop low-temperature diffusional moisture outgassing model for silica-filled silicones

A universal outgassing model for all silica-filled silicones would allow researchers to make moisture outgassing predictions for many different silica-filled silicones using the same sets of kinetic parameters (but with different intensities for the outgassing constituents). In FY 2020, we succeeded in developing such a model for outgassing in a vacuum/dry environment after ~ 1-2 hours of room temperature vacuum pump. That means the FY2020 model does not account for the low temperature diffusional moisture outgassing during the first few hours under vacuum pump. In FY 2021, we have used the experimental technique of dynamic vapor sorption together with the modified Page diffusion model to measure and quantify the low temperature (i. e. room temperature) diffusional moisture release to complete our universal moisture outgassing model for silica-filled silicones from low temperatures to high temperatures.

36 MATERIALS SCIENCE↗

Revealing the roles of the solid–electrolyte interphase in designing stable, fast-charging, low-temperature Li-ion batteries

Designing the solid–electrolyte interphase (SEI) is critical for stable, fast-charging, low-temperature Li-ion batteries. Fostering a “fluorinated interphase,” SEI enriched with LiF, has become a popular design strategy. Although LiF possesses low Li-ion conductivity, many studies have reported favorable battery performance with fluorinated SEIs. Such a contradiction suggests that optimizing SEI must extend beyond chemical composition design to consider spatial distributions of different chemical species. In this work, we demonstrate that the impact of a fluorinated SEI on battery performance should be evaluated on a case-by-case basis. Sufficiently passivating the anode surface without impeding Li-ion transport is key. We reveal that a fluorinated SEI containing excessive and dense LiF severely impedes Li-ion transport. In contrast, a fluorinated SEI with well-dispersed LiF (i.e., small LiF aggregates well mixed with other SEI components) is advantageous, presumably due to the enhanced Li-ion transport across heterointerfaces between LiF and other SEI components. An electrolyte, 1 M LiPF 6 in 2-methyl tetrahydrofuran (2MeTHF), yields a fluorinated SEI with dispersed LiF. This electrolyte allows anodes of graphite, μSi/graphite composite, and pure Si to all deliver a stable Coulombic efficiency of 99.9% and excellent rate capability at low temperatures. Pouch cells containing layered cathodes also demonstrate impressive cycling stability over 1,000 cycles and exceptional rate capability down to −20 °C. Through experiments and theoretical modeling, we have identified a balanced SEI-based approach that achieves stable, fast-charging, low-temperature Li-ion batteries.

25 ENERGY STORAGE↗

Probing intrinsic magnetization dynamics of the Y 3⁢ Fe 5 ⁢O 12 /Bi 2 ⁢Te 3 interface at low temperature

Topological insulator–magnetic insulator (TI–MI) heterostructures hold significant promise in the field of spintronics, offering the potential for manipulating magnetization through topological surface state–enabled spin-orbit torque. However, many TI–MI interfaces are plagued by issues such as contamination within the magnetic insulator layer and the presence of a low-density transitional region of the topological insulator. These interfacial challenges often obscure the intrinsic behavior of the TI–MI system. In this study, we addressed these challenges by depositing sputtered Bi 2 ⁢Te 3 on liquid phase epitaxy grown Y 3 ⁢Fe 5 ⁢O 12 /Gd 3 ⁢Ga 5 ⁢O 12 . The liquid phase epitaxy grown Y 3 ⁢Fe 5 ⁢O 12 has been previously shown to have exceptional interface quality, without an extended transient layer derived from interdiffusion processes of the substrate or impurity ions, thereby eliminating rare-earth impurity-related losses in the MI at low temperatures. At the TI–MI interface, high-resolution depth-sensitive polarized neutron reflectometry confirmed the absence of a low-density transitional growth region of the TI. By overcoming these undesirable interfacial effects, we isolate and probe the intrinsic low-temperature magnetization dynamics and transport properties of the TI–MI interface. In conclusion, our findings revealed strong spin pumping at low temperatures, accompanied by an additional in-plane anisotropy. The enhanced spin pumping at low temperatures is correlated with the observed suppression of bulk conduction and the weak antilocalization in the TI film, highlighting the interplay between the transport and spin pumping behavior in the TI–MI system.

36 MATERIALS SCIENCE↗

Low‐Temperature Synthesis of Stable CaZn 2 P 2 Zintl Phosphide Thin Films as Candidate Top Absorbers

Abstract The development of tandem photovoltaics and photoelectrochemical solar cells requires new absorber materials with bandgaps in the range of ≈1.5–2.3 eV, for use in the top cell paired with a narrower‐gap bottom cell. An outstanding challenge is finding materials with suitable optoelectronic and defect properties, good operational stability, and synthesis conditions that preserve underlying device layers. This study demonstrates the Zintl phosphide compound CaZn 2 P 2 as a compelling candidate semiconductor for these applications. Phase‐pure, ≈500 nm‐thick CaZn 2 P 2 thin films are prepared using a scalable reactive sputter deposition process at growth temperatures as low as 100 °C, which is desirable for device integration. Ultraviolet‐visible spectroscopy shows that CaZn 2 P 2 films exhibit an optical absorptivity of ≈10 4 cm −1 at ≈1.95 eV direct bandgap. Room‐temperature photoluminescence (PL) measurements show near‐band‐edge optical emission, and time‐resolved microwave conductivity (TRMC) measurements indicate a photoexcited carrier lifetime of ≈30 ns. CaZn 2 P 2 is highly stable in both ambient conditions and moisture, as evidenced by PL and TRMC measurements. Experimental data are supported by first‐principles calculations, which indicate the absence of low‐formation‐energy, deep intrinsic defects. Overall, this study shall motivate future work integrating this potential top cell absorber material into tandem solar cells.

14 SOLAR ENERGY↗

Selective catalytic reduction of NOx with NH 3 over Ce-Mn oxide and Cu-SSZ-13 composite catalysts – Low temperature enhancement

A composite catalyst comprised of ceria-manganese oxide and Cu-SSZ-13 components represents a potential solution for improving selective catalytic reduction (SCR) of NOx by ammonia. Here, clarity is provided to the pathway of promotion on these catalysts at low temperatures (< 200 °C), and it is shown that improved performance comes solely from interaction of the oxide phase with Brønsted acid bound NH 3 . We demonstrate that at low temperatures, the catalytic components interact via oxide-derived nitrites/nitrite-precursors (e.g., HONO, N 2 O 3 ) reacting with Brønsted acid bound NH3 from the zeolite. Then, only at elevated temperatures is the influence of the oxide phase on Cu redox in the Cu-SSZ-13 observed. Furthermore, we show how the oxide component has the great potential to circumvent NH 4 NO 3 inhibition on Cu-SSZ-13 in the composite catalysts at low temperatures by bypassing the formation of nitrates from NO 2 disproportionation, thus providing a practical solution to improving low temperature SCR reactivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

A Carbonyl and Azo-Based Polymer Cathode for Low-Temperature Na-Ion Batteries

Due to flexible structure tunability and abundant structure diversity, redox-active polymers are promising cathode materials for developing affordable and sustainable Na-ion batteries (NIBs). However, polymer cathodes still suffer from low capacity, poor cycle life, and sluggish reaction kinetics. Herein, we designed and synthesized a polymer cathode material bearing carbonyl and azo groups as well as extended conjugation structures in the repeating units. The polymer cathode exhibited exceptional electrochemical performance in NIBs in terms of high capacity, long lifetime, and fast kinetics. When coupled with a low-concentration electrolyte, it shows superior performance at low temperatures down to -50 °C, demonstrating great promise for low-temperature battery applications. Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and scanning electron microscopy (SEM) were employed to study the reaction mechanism, interphase structure, and morphological evolution, confirming reversible redox reactions between azo/carbonyl groups in the polymer and Na + /electrons, a NaF-rich interphase, and high structure stability upon cycling. In conclusion, this work provides an effective approach to developing high-performance polymer cathodes for affordable, sustainable, and low-temperature NIBs.

25 ENERGY STORAGE↗