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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Quantized thermoelectric Hall effect induces giant power factor in a topological semimetal

Abstract Thermoelectrics are promising by directly generating electricity from waste heat. However, (sub-)room-temperature thermoelectrics have been a long-standing challenge due to vanishing electronic entropy at low temperatures. Topological materials offer a new avenue for energy harvesting applications. Recent theories predicted that topological semimetals at the quantum limit can lead to a large, non-saturating thermopower and a quantized thermoelectric Hall conductivity approaching a universal value. Here, we experimentally demonstrate the non-saturating thermopower and quantized thermoelectric Hall effect in the topological Weyl semimetal (WSM) tantalum phosphide (TaP). An ultrahigh longitudinal thermopower $$S_{xx} \sim 1.1 \times 10^3 \, \mu \, {\mathrm{V}} \, {\mathrm{K}}^{ - 1}$$ S x x ~ 1.1 × 1 0 3 μ V K − 1 and giant power factor $$\sim 525 \, \mu \, {\mathrm{W}} \, {\mathrm{cm}}^{ - 1} \, {\mathrm{K}}^{ - 2}$$ ~ 525 μ W cm − 1 K − 2 are observed at ~40 K, which is largely attributed to the quantized thermoelectric Hall effect. Our work highlights the unique quantized thermoelectric Hall effect realized in a WSM toward low-temperature energy harvesting applications.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Coordination Polymer Electrocatalysts Enable Efficient CO‐to‐Acetate Conversion

Abstract Upgrading carbon dioxide/monoxide to multi‐carbon C 2+ products using renewable electricity offers one route to more sustainable fuel and chemical production. One of the most appealing products is acetate, the profitable electrosynthesis of which demands a catalyst with higher efficiency. Here, a coordination polymer (CP) catalyst is reported that consists of Cu(I) and benzimidazole units linked via Cu(I)‐imidazole coordination bonds, which enables selective reduction of CO to acetate with a 61% Faradaic efficiency at −0.59 volts versus the reversible hydrogen electrode at a current density of 400 mA cm −2 in flow cells. The catalyst is integrated in a cation exchange membrane‐based membrane electrode assembly that enables stable acetate electrosynthesis for 190 h, while achieving direct collection of concentrated acetate (3.3 molar) from the cathodic liquid stream, an average single‐pass utilization of 50% toward CO‐to‐acetate conversion, and an average acetate full‐cell energy efficiency of 15% at a current density of 250 mA cm −2 .

Luo, Mingchuan↗
DOE OSTI2025

High-current-density electrosynthesis of formate from captured CO 2 solution by MOF-derived bismuth nanosheets

Greenhouse gas emissions present a significant challenge to humanity, and utilizing renewable electricity to convert emitted CO 2 into value-added products offers a promising solution; however, traditional CO 2 capture and regeneration processes remain energy-intensive, restricting the overall system efficiency and decarbonization efficacy. In this study, an advanced direct reduction of captured CO 2 with large current densities for formate electrosynthesis was demonstrated without the need for CO 2 regeneration or compression. The bismuth nanosheet (DRM-BiNS) was synthesized by direct reduction of a Bi-based MOF, representing a new class of catalytic materials with a large surface area and interconnected pores, suitable for the direct reduction of captured CO 2 . By seamlessly combining experimentation and simulation, insights into the structure-parameter-performance relation were acquired in a flow cell setting, including critical membrane-electrode distance, cell orientation, and pumping flow rate. Important flow-cell components, such as catholyte volume, electrode substrate, membrane choice, and ionomer type, were also carefully examined to enhance the cell performance. In sharp contrast to prior studies limited to current densities below 20 mA/cm 2 in bicarbonate-based captured CO 2 solutions, this work demonstrates a remarkable current density of 300 mA/cm 2 with an FE to formate comparable to the case with gas-fed CO 2 reduction. Moreover, the process sustained an FE above 50% at a high current density of 500 mA/cm 2 . The DRM-BiNS catalyst exhibited outstanding selectivity, activity, and stability, significantly outperforming oxide-derived bismuth nanosheets (OD-BiNS) in captured CO 2 reduction. Furthermore, these findings offer critical insights into the development of sustainable and scalable CO 2 utilization technologies.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2023

Surface Lattice-Embedded Pt Single-Atom Catalyst on Ceria-Zirconia with Superior Catalytic Performance for Propane Oxidation

Tuning the metal–support interaction and coordination environment of single-atom catalysts can help achieve satisfactory catalytic performance for targeted reactions. Herein, via the facile control of calcination temperatures for Pt catalysts on pre-stabilized Ce 0.9 Zr 0.1 O 2 (CZO) support, Pt single atoms (Pt 1 ) with different strengths of Pt–CeO 2 interaction and coordination environment were successfully constructed. With the increase in calcination temperature from 350 to 750 °C, a stronger Pt–CeO 2 interaction and higher Pt-O-Ce coordination number were achieved due to the reaction between PtO x and surface Ce 3+ species as well as the migration of Pt 1 into the surface lattice of CZO. The Pt/CZO catalyst calcined at 750 °C (Pt/CZO-750) exhibited a surprisingly higher C 3 H 8 oxidation activity than that calcined at 550 °C (Pt/CZO-550). Here, through systematic characterizations and reaction mechanism study, it was revealed that the higher concentration of surface Ce 3+ species/oxygen vacancies and the stronger Pt–CeO 2 interaction on Pt/CZO-750 could better facilitate the activation of oxygen to oxidize C 3 H 8 into reactive carbonate/carboxyl species and further promote the transformation of these intermediates into gaseous CO 2 . The Pt/CZO-750 catalyst can be a potential candidate for the catalytic removal of hydrocarbons from vehicle exhaust.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Superstructured NiMoO 4 @CoMoO 4 core-shell nanofibers for supercapacitors with ultrahigh areal capacitance

High areal capacitance for a practical supercapacitor electrode requires both large mass loading and high utilization efficiency of electroactive materials, which presents a great challenge. Herein, we demonstrated the unprecedented synthesis of superstructured NiMoO 4 @CoMoO 4 core-shell nanofiber arrays (NFAs) on a Mo-transition-layer-modified nickel foam (NF) current collector as a new material, achieving the synergistic combination of highly conductive CoMoO 4 and electrochemical active NiMoO 4 . Moreover, this superstructured material exhibited a large gravimetric capacitance of 1,282.2 F/g in 2 M KOH with a mass loading of 7.8 mg/cm 2 , leading to an ultrahigh areal capacitance of 10.0 F/cm 2 that is larger than any reported values of CoMoO 4 and NiMoO 4 electrodes. In conclusion, this work provides a strategic insight for rational design of electrodes with high areal capacitances for supercapacitors.

42 ENGINEERING↗
DOE OSTI2024

Linking NH$^+_4$ motion to magnetism in molecular multiferroic (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)]: A neutron vibrational spectroscopy study

Here, we present a neutron vibrational spectroscopy study to investigate the influence of NH$^+_4$ motion on the magnetism in [(NH 4 ) 1–x K x ] 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)]. The parent compounds, (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)] (x = 0) and K 2 ⁡[FeCl 5 ⁢(H 2 ⁢O)]⁢(x = 1) are isostructural at room temperature, yet displaying drastically different magnetic and multiferroic behavior. K 2 ⁡[FeCl 5 ⁢(H 2 ⁢O)] is nonmultiferroic with type-A collinear antiferromagnetic structure below T N ≈ 14.06 K, whereas (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)] is a type-II multiferroic with incommensurate cycloidal spin structure below T FE ≈ 6.8 K. A recent study of the dielectric, structure, and magnetic properties in the mixed [(NH 4 ) 1–x ⁢K x ] 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)] shows that a small amount of potassium substitution to replace NH$^+_4$ transforms the spin structure from incommensurate cycloidal (x ≤ 0.06) into commensurate collinear antiferromagnetic (x ≥ 0.15), indicating NH$^+_4$ is essential to the emergent phenomena observed in this molecular multiferroic compound. Our vibrational spectroscopy study reveals that NH$^+_4$ libration and torsion motion exhibit substantial temperature dependence at low temperatures. The intensity of NH$^+_4$ libration and torsion modes increases slightly at 5 K in comparison with data at 25 K behaving like a magnon, indicating that they are coupled to the magnetism in (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)]. Comparing data of x=0, 0.06, 0.09, and 0.15 samples further illustrates that the strength of the increased signal in NH$^+_4$ libration mode is very sensitive to potassium concentration. The signal diminishes quickly with increasing potassium concentration and vanishes in the x = 0.15 sample corresponding to the magnetic structure change for x ≥ 0.15. The results directly link the anomalous behavior in NH$^+_4$ libration motion to the magnetism in [(NH 4 ) 1–x ⁢K x ] 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)], providing new insights into the crucial role NH$^+_4$ plays in the coupled phenomena in (NH 4 ) 2 ⁢[FeCl 5 ⁢(H 2 ⁢O)]. The unique information opens a new door to go through in searching for new multifunctional materials by incorporation of NH 4 via a material-by-design approach.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Super Flexible Transparent Conducting Oxide-Free Organic–Inorganic Hybrid Perovskite Solar Cells with 19.01% Efficiency (Active Area=1 cm 2 )

Highly efficient organic-inorganic hybrid perovskite solar cells (OIHP-SCs) are often fabricated on a transparent conducting oxide (TCO) substrate such as indium tin oxide (ITO). However, the presence of TCOs is disadvantageous to the development of flexible OIHP-SCs due to the brittle nature of ITO which is easily breakable during bending. Herein, a flexible TCO-free OIHP-SC is demonstrated by using lithium bis(trifluoromethane)sulfonimide (Li-TFSI) as a codopant for the single-layer graphene transparent conducting electrode and poly(triarylamine) hole-transporting material (HTM) on a flexible polydimethylsiloxane substrate. The optical and electrical properties of the Li-TFSI-doped graphene substrate are measured by controlling the doping amount and the best conditions for charge extraction are established at a doping concentration of 20 mm Li-TFSI, thus optimizing the device photovoltaic performance. As a result, a highest power conversion efficiency of 19.01% is demonstrated by the flexible TCO-free OIHP-SC devices with an active area of 1 cm 2 . In addition, the flexible TCO-free OIHP-SCs exhibit good bending stability after 5000 bending cycles at radii of 6, 4, and 2 mm and excellent light soaking stability under 1 Sun light intensity over 1000 h as opposed to the poor stability when using poly(3,4-ethylenedioxythiophene) polystyrene sulfonate as the HTM.

14 SOLAR ENERGY↗
DOE OSTI2021

Quantum oscillations in the field-induced ferromagnetic state of MnBi 2-x Sb x Te 4

The intrinsic antiferromagnetic topological insulator MnBi2Te4 undergoes a metamagnetic transition in a c-axis magnetic field. It has been predicted that ferromagnetic MnBi2Te4 is an ideal Weyl semimetal with a single pair of Weyl nodes. Here we report measurements of quantum oscillations detected in the field-induced ferromagnetic phase of MnBi 2-x Sb x Te 4 , where Sb substitution tunes the majority carriers from electrons to holes. Single-frequency Shubnikov–de Haas oscillations were observed in a wide range of Sb concentrations (0.54≤x≤1.21). The evolution of the oscillation frequency and the effective mass shows reasonable agreement with the Weyl semimetal band structure of ferromagnetic MnBi 2 Te 4 predicted by density functional calculations. Intriguingly, the quantum oscillation frequency shows a strong temperature dependence, indicating that the electronic structure depends sensitively on magnetism.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Editorial: Edge computation and digital distribution networks

The development of digital technologies is penetrating all areas of energy revolution. Based on the in-depth integration of advanced digital technologies, distribution networks are gradually transforming into digital distribution networks (DDNs) with tremendous changes from the structure to the operation mode. DDNs is the digitalized appearance of the physical distribution network, in which ubiquitous connections and massive data are the basic characteristics (Huo et al., 2022). It is an important task to utilize the massive data and propose novel operation modes to construct more efficient and intelligent distribution networks (Jian et al., 2022). Among the advanced digital technologies in DDNs, edge computing has received wide attention (Zhao et al., 2022). It has superior performance in local sensing and intelligent computation, which can effectively relieve huge communication pressure. However, the limited computing resources and the complex computing tasks at the edge side significantly challenge the collaboration of distribution network regulation and advanced digital technologies (Hu et al., 2022). It is necessary to find out proper methods to utilize advanced digital technology to construct DDNs. This Research Topic is organized to introduce the recent progress in the construction, operation and advanced computational methods for DDNs. Finally, seven papers have been accepted, which can be sorted into the following three categories: 1) Evolution and technical features of DDNs, 2) Intelligent operation control of DDNs, 3) Advanced simulation for large-scale DDNs. The three sections below respectively introduce the major research and contributions of the papers covered in each category.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Chemical upgrade of carbon monoxide to acetate on an atomically dispersed copper catalyst via CO-insertion

Electrochemical conversion of small molecules such as carbon dioxide (CO 2 ) and carbon monoxide (CO) to high-value multi-carbon products (C 2+ ) offers a chemical upgrade approach for fuels and chemical feedstock production using renewable energy, in the possible absence of the petrochemical industry under the new energy system such as hydrogen economy. Identifying robust and efficient electrocatalysts to selectively produce C 2+ products remains a challenge. In this study, we report a synthetic strategy of atomically dispersing copper atoms on nitrogen-rich porous carbon (Cu–N–C) through pyrolysis of a supramolecular assembly. Benefitting from the unsaturated coordination structure, in KOH electrolyte, the Cu–N–C with a Cu content of 6.9 wt% exhibits a maximum acetate Faradaic efficiency (FE) of 30% with an acetate partial current density as high as 48 mA cm –2 in electrochemical CO reduction. Different from the C–C coupling mechanism on metallic copper, we propose a CO insertion mechanism for the acetate production on the single site copper catalyst.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Thermodynamically Driven Formation of Intercalated Cu Carpets from Supported Cu Pyramids on MoS 2

Thermodynamic and kinetic analyses based on our first-principles density functional theory calculations are used to interpret the experimentally observed formation of Cu carpets intercalated under the top layer of a 2H-MoS 2 substrate. Spontaneous Cu transport from Cu pyramids on top of the MoS 2 substrate through surface point defects to the growing Cu carpet is shown to be driven by a slightly lower chemical potential for the Cu carpet. We demonstrate that the competition between a preference for a thicker Cu carpet and the cost of elastic stretching of the top MoS 2 layer results in a selected Cu carpet thickness. Furthermore, we also propose that Cu transport occurs primarily via vacancy-mediated diffusion through constricting point defect portals.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Covalent 2D Cr 2 Te 3 ferromagnet

To broaden the scope of van der Waals 2D magnets, we report the synthesis and magnetism of covalent 2D magnetic Cr 2 Te 3 with a thickness down to one-unit-cell. The 2D Cr 2 Te 3 crystals exhibit robust ferromagnetism with a Curie temperature of 180 K, a large perpendicular anisotropy of 7 × 10 5 J m -3 , and a high coercivity of ~4.6 kG at 20 K. First principles calculations further show a transition from canted to collinear ferromagnetism, a transition from perpendicular to in-plane anisotropy, and emergent half-metallic behavior in atomically-thin Cr 2 Te 3 , suggesting its potential application for injecting carriers with high spin polarization into spintronic devices.

2D magnets↗
DOE OSTI2021

Giant topological Hall effect in centrosymmetric tetragonal Mn 2–x Zn x Sb

Topological magnetism typically appears in noncentrosymmetric compounds or compounds with geometric frustration. Here, we report the effective tuning of magnetism in centrosymmetric tetragonal Mn 2–x Zn x Sb by Zn substitution. The magnetism is found to be closely coupled to the transport properties, giving rise to a very large topological Hall effect with fine-tuning of Zn content, which even persists to high temperature (~250K). The further magnetoentropic analysis suggests that the topological Hall effect is possibly associated with topological magnetism. Furthermore, our finding suggests Mn 2–x Zn x S is a candidate material for a centrosymmetric tetragonal topological magnetic system, offering opportunities for studying and tuning spin textures and developing near room temperature spin-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Foam Fracturing Study for Stimulation Development of Enhanced Geothermal Systems

This is a final technical report for the project: Foam Fracturing Study for Stimulation Development of Enhanced Geothermal Systems (EGS). The goal is to demonstrate the feasibility of foam fracturing in EGS applications. The project, led by Oak Ridge National Laboratory (ORNL), was conducted in collaboration with Temple University. The report describes the research activities with Task 1 at ORNL: foam fracturing testing system development and experimental study on foam fracturing, and Task 2 at Temple University: foam testing and foam characterization. Main findings are: 1. A foam fracturing test system has been developed at ORNL, which can be used to perform foam fracturing under pressure up to 6,000 psi. The system monitors foam density during fracturing online and is capable of testing materials in both monotonic and cyclic (up to 50 Hz) injections. 2. Foam fracturing tests were carried out on Charcoal black granite specimens with a blind borehole to the middle length. Two diameters of blind borehole were tested; G2 series: 9.53 mm and G3 series: 4.76 mm. N2-in-water foam was used with AOS as a surfactant. 3. There was a hole-size effect on fracture initiation pressure. The effect is smaller in the case of foam, which was influenced by the high penetrability of gas in foam. Breakdown pressure showed a behavior just as that of fracture pressure; namely an increased value for small hole samples, while the effect in water fracture was more impressive than in foam fracture. 4. Water mass was reduced in foam fracturing within similar range of breakdown pressures. In G2 series, it was decreased from 10.44 g for water fracturing to 5.17 g, representing more than 50% water reduction. Therefore, there is the potential to reduce water use in EGS stimulation through foam fracturing. 5. Use of cyclic injection has the potential to reduce the breakdown pressure and seismicity in EGS application. Experiments using 4-s cycle period found that specimens can be fractured with a low number of cycles. The fatigue pressure was approximately 64 - 77% of monotonic breakdown pressure for water fracturing and 58 - 94% of the breakdown pressure for foam fracturing. 6. A foam stability testing system has been developed that can test foam at 220 Deg C to 2,000 psi. Tested components of candidate foams included two gases: N2 and CO2; 4 surfactants: AOS, SDS, NP-40 and CTAC; 5 stabilizing agents: guar, bentonite clay, borate salt, silica NPs, and GO. 7. N2 and AOS provided the most stable performance over the tested ranges. Furthermore, the AOS foam with stabilizing agents of guar and borate salt (crosslinker) offered the highest half-life of 20 minutes at 200 Deg C and 1,000 psi. 8. Arrhenius equation and modified power law have been demonstrated to fit well the half-time vs. temperature and pressure data, respectively. These relations can be useful to provide the suggestion for future foam stability study. This submission contains the supporting data developed during the project: 1) A final technical report 2) Granite fracturing data in monotonic and cyclic injections with water and N2 foam Foam performance data in various temperatures and pressures, including half-time, is submitted separately.

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Causality Extraction from Nuclear Licensee Event Reports Using a Hybrid Framework

In this paper, we proposed a hybrid framework for causality detection and extraction in LER documents. The main contributions are summarized below. We 1) built an LER corpus with 20,129 text samples for causality analysis, 2) developed an interactive tool was developed for labeling cause-effect pairs, 3) built a deep learning-based approach for causal relation detection, and 4) built a knowledge-based cause-effect extraction approach.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1973

Time-resolved spectroscopic measurements behind incident and reflected shock waves in air and xenon

Time-resolved spectra have been obtained behind incident and reflected shock waves in air and xenon at initial pressures of 0.1 and 1.0 torr using a rotating drum spectrograph and the OSU (The Ohio State University) arc-driven shock tube. These spectra were used to determine the qualitative nature of the flow as well as for making estimates of the available test time. The (n+1,n) and (n,n) band spectra of N2(+) (1st negative) were observed in the test gas behind incident shock waves in air at p1=1.0 torr and Us=9-10 km/sec. Behind reflected shock waves in air, the continuum of spectra appeared to cover almost the entire wavelength of 2,500-7,000 A for the shock-heated test gas. For xenon, the spectra for the incident shock wave cases for p1=0.1 torr show an interesting structure in which two intensely bright regions are witnessed in the time direction. The spectra obtained behind reflected shock waves in xenon were also dominated by continuum radiation but included strong absorption spectra due to FeI and FeII from the moment the reflected shock passed and on.

Yoshinaga, T.↗
DOE OSTI2024

Beyond Conventional Charge Density Wave for Strongly Enhanced 2D Superconductivity in 1H‐TaS 2 Superlattices

Noncentrosymmetric transition metal dichalcogenide (TMD) monolayers offer a fertile platform for exploring unconventional Ising superconductivity (SC) and charge density waves (CDWs). However, the vulnerability of isolated monolayers to structural disorder and environmental oxidation often degrade their electronic coherence. Herein, an alternative approach is reported for fabricating stable and intrinsic monolayers of 1H-TaS2 sandwiched between SnS blocks in a (SnS) 1.15 TaS 2 van der Waals (vdW) superlattice. The SnS block layers not only decouple individual 1H-TaS 2 sublayers to endow them with monolayer-like electronic characteristics, but also protect the 1H-TaS 2 layers from electronic degradation. The results reveal the characteristic 3 × 3 CDW order in 1H-TaS 2 sublayers associated with electronic rearrangement in the low-lying sulfur p band, which uncovers a previously undiscovered CDW mechanism rather than the conventional Fermi surface-related framework. Additionally, the (SnS) 1.15 TaS 2 superlattice exhibits a strongly enhanced Ising-like SC with a layer-independent T c of ≈3.0 K, comparable to that of the isolated monolayer 1H-TaS 2 sample, presumably attributed to their monolayer-like characteristics and retained Fermi states. These results provide new insights into the long-debated CDW order and enhanced SC of monolayer 1H-TaS 2 , establishing bulk vdW superlattices as promising platforms for investigating exotic collective quantum phases in the 2D limit.

2D superconductivity↗