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At least 1,315 records · Page 73
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

SnS Homojunction Solar Cell with n-Type Single Crystal and p-Type Thin Film

Herein, a pn homojunction SnS solar cell is fabricated for the first time by the deposition of p-type SnS polycrystalline thin films on the recently reported large n-type SnS single crystals. The p-type thin films consist of columnar grains that grow along the <100> direction, which is the same orientation as the n-type single crystal. In addition, the interface of the pn homojunctions is void-free and compositionally sharp. The SnS homojunction solar cell achieves an open-circuit voltage (VOC) of 360 mV, which is as large as the highest VOC of previously reported SnS-based heterojunction solar cells. The built-in potential of the homojunction cell is 0.92 eV, which is close to the bandgap energy of SnS (≈1.1 eV), and larger than reported for heterojunctions (≈0.7 eV). The resulting 1.4% conversion efficiency (n) of the homojunction solar cell is smaller than the record 4–5% in heterojunctions, mainly due to the low short-circuit current density (J SC ) of 7.5 mA cm -2 . Once the device structure of the homojunction cell is optimized to efficiently collect the photogenerated carriers and achieve a comparable J SC as the conventional heterojunction cells (≈25 mA cm -2 ), high n exceeding 4–5% will be realized with improving the VOC.

14 SOLAR ENERGY↗
DOE OSTI2024

Pd-Ru pair on Pt surface for promoting hydrogen oxidation and evolution in alkaline media

Hydrogen oxidation reaction in alkaline media is critical for alkaline fuel cells and electrochemical ammonia compressors. The slow hydrogen oxidation reaction in alkaline electrolytes requires large amounts of scarce and expensive platinum catalysts. While transition metal decoration can enhance Pt catalysts’ activity, it often reduces the electrochemical active surface area, limiting the improvement in Pt mass activity. Here, we enhance Pt catalysts’ activity without losing surface-active sites by using a Pd-Ru pair. Utilizing a mildly catalytic thermal pyrolysis approach, Pd-Ru pairs are decorated on Pt, confirmed by extended X-ray absorption fine structure and high-angle annular dark-field scanning transmission electron microscopy. Density functional theory and ab-initio molecular dynamics simulations indicate preferred Pd and Ru dopant adsorption. The Pd-Ru decorated Pt catalyst exhibits a mass-based exchange current density of 1557 ± 85 A g –1 metal for hydrogen oxidation reaction, demonstrating superior performance in an ammonia compressor.

25 ENERGY STORAGE↗
DOE OSTI2021

Demonstration of reduced neoclassical energy transport in Wendelstein 7-X

Research on magnetic confinement of high-temperature plasmas has the ultimate goal of harnessing nuclear fusion for the production of electricity. Although the tokamak is the leading toroidal magnetic-confinement concept, it is not without shortcomings and the fusion community has therefore also pursued alternative concepts such as the stellarator. Unlike axisymmetric tokamaks, stellarators possess a three-dimensional (3D) magnetic field geometry. The availability of this additional dimension opens up an extensive configuration space for computational optimization of both the field geometry itself and the current-carrying coils that produce it. Such an optimization was undertaken in designing Wendelstein 7-X (W7-X), a large helical-axis advanced stellarator (HELIAS), which began operation in 2015 at Greifswald, Germany. A major drawback of 3D magnetic field geometry, however, is that it introduces a strong temperature dependence into the stellarator’s non-turbulent ‘neoclassical’ energy transport. Indeed, such energy losses will become prohibitive in high-temperature reactor plasmas unless a strong reduction of the geometrical factor associated with this transport can be achieved; such a reduction was therefore a principal goal of the design of W7-X. In spite of the modest heating power currently available, W7-X has already been able to achieve high-temperature plasma conditions during its 2017 and 2018 experimental campaigns, producing record values of the fusion triple product for such stellarator plasmas. The triple product of plasma density, ion temperature and energy confinement time is used in fusion research as a figure of merit, as it must attain a certain threshold value before net-energy-producing operation of a reactor becomes possible. Here we demonstrate that such record values provide evidence for reduced neoclassical energy transport in W7-X, as the plasma profiles that produced these results could not have been obtained in stellarators lacking a comparably high level of neoclassical optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Characterization of Agfa Structurix series D4 and D3sc x-ray films in the 0.7–4.6 keV energy range

X-ray films remain a key asset for high-resolution x-ray spectral imaging in high-energy-density experiments conducted at the National Ignition Facility (NIF). The soft x-ray Opacity Spectrometer (OpSpec) fielded at the NIF has an elliptically shaped crystal design that measures x rays in the 900–2100 eV range and currently uses an image plate as the detecting medium. However, Agfa D4 and D3sc x-ray films’ higher spatial resolution provides increased spectral resolution to the data over the IP-TR image plates, driving the desire for regular use of x-ray film as a detecting medium. The calibration of Agfa D4 x-ray film for use in the OpSpec is communicated here. These calibration efforts are vital to the accuracy of the NIF opacity measurements and are conducted in a previously un-studied x-ray energy range under a new film development protocol required by NIF. The absolute response of Agfa D4 x-ray film from 705 to 4620 eV has been measured using the Nevada National Security Site Manson x-ray source. A broader range of energies was selected to compare results with previously published data. The measurements were taken using selected anodes, filters, and applied voltages to produce well-defined energy lines.

Dutra, E. C. (ORCID:0000000167649195)↗
DOE OSTI2025

Spin-informed universal graph neural networks for simulating magnetic ordering

The screening and discovery of magnetic materials are hindered by the computational cost of first-principles density-functional theory (DFT) calculations required to find the ground state magnetic ordering. Although universal machine-learning interatomic potentials (uMLIPs), also known as atomistic foundation models, offer high-fidelity models of many atomistic systems with significant speedup, they currently lack the inputs required for predicting magnetic ordering. In this work, we present a data-efficient, spin-informed graph neural network framework that incorporates spin degrees of freedom as inputs and preserves physical symmetries, extending the functionality of uMLIPs to simulate magnetic orderings. This framework speeds up DFT calculations through better initial guesses for magnetic moments, determines the ground-state ordering of bulk materials and even generalizes to magnetic ordering in surfaces. Furthermore, we implement a closed-loop anomaly detection approach that effectively addresses the classic "chicken-and-egg" problem of creating a high-quality dataset while developing a uMLIP, unearthing anomalies in large benchmark datasets and boosting model accuracy.

Xu, Wenbin↗
DOE OSTI2023

DEEPEN 3D PFA Index Models for Exploration Datasets at Newberry Volcano

DEEPEN stands for DE-risking Exploration of geothermal Plays in magmatic ENvironments. As part of the development of the DEEPEN 3D play fairway analysis (PFA) methodology for magmatic plays (conventional hydrothermal, superhot EGS, and supercritical), index models needed to be developed to map values in geoscientific exploration datasets to favorability index values. This GDR submission includes those index models. Index models were created by binning values in exploration datasets into chunks based on their favorability, and then applying a number between 0 and 5 to each chunk, where 0 represents very unfavorable data values and 5 represents very favorable data values. To account for differences in how exploration methods are used to detect each play component, separate index models are produced for each exploration method for each component of each play type. Index models were created using histograms of the distributions of each exploration dataset in combination with literature and input from experts about what combinations of geophysical, geological, and geochemical signatures are considered favorable at Newberry. This is in attempt to create similar sized bins based on the current understanding of how different anomalies map to favorable areas for the different types of geothermal plays (i.e., conventional hydrothermal, superhot EGS, and supercritical). For example, an area of partial melt would likely appear as an area of low density, high conductivity, low vp, and high vp/vs. This means that these target anomalies would be given high (4 or 5) index values for the purpose of imaging the heat source. To account for differences in how exploration methods are used to detect each play component, separate index models are produced for each exploration method for each component of each play type. Index models were produced for the following datasets: - Geologic model - Alteration model - vp/vs - vp - vs - Temperature model - Seismicity (density*magnitude) - Density - Resistivity - Fault distance - Earthquake cutoff depth model

15 GEOTHERMAL ENERGY↗
DOE OSTI2024

Enhancing Resource Recovery through Electro-Assisted Regeneration of an Ammonia-Selective Cation Exchange Resin

Ammonia-selective adsorbents can manage reactive nitrogen in the environment and promote a circular nutrient economy. Weak acid cation exchangers loaded with zinc exhibit high ammonia selectivity but face two implementation barriers: the stability of the zinc–carboxylate bond in complex wastewaters and energy- and logistics-intensive adsorbent regeneration with acidic solutions. In this paper, we examined the stability of zinc–carboxylate bonds in varying solutions (pure ammonium solution, synthetic urine, and real urine) and during electro-assisted regeneration. For electrochemical regeneration, both electrolyte concentration and current density influenced the trade-off between ammonia regeneration and zinc elution. Using 10 mM K 2 SO 4 anolyte at a 0.08 mA/cm 2 current density, we achieved 4% zinc elution and 61% ammonia regeneration. In contrast, using 100 mM K 2 SO 4 at 4.96 mA/cm 2 improved the regeneration efficiency to 97% but eluted 60% of zinc. We found that electrolyte concentration was the key factor influencing the regeneration efficiency of the NH 3 -selective adsorbents. Due to prevalent zinc elution, we designed an in situ procedure for reforming the zinc–carboxylate bond and achieved similar adsorption densities between pre- and post-regenerated resins, thus enabling multiple cycle resin use. Ultimately, this study advances understanding of ammonia-selective resins that can facilitate high-purity, selective, and durable recovery of nutrients from waste streams.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Editorial: Using high energy density plasmas for nuclear experiments relevant to nuclear astrophysics

Thermonuclear reaction rates and nuclear processes have traditionally been explored by means of accelerator experiments, which are difficult to execute at conditions relevant to nucleosynthesis. High energy density (HED) plasmas generated using lasers, such as the inertial confinement fusion (ICF) platform, more closely mimic astrophysical environments in several ways, including with thermal distributions of reacting ions as opposed to mono-energetic ions impinging on a cold target; stellar-relevant plasma temperatures and densities; and neutron flux densities not found anywhere else on earth. The most extreme conditions can currently be achieved at the National Ignition Facility (NIF) laser in the US, where densities of 10 3 g/cm 3 and neutron fluxes up to 5∙10 27 neutrons/cm/s have been demonstrated over a time period of a few tens of picoseconds. The HED platform is emerging as an interesting complement to accelerator experiments.

charged-particle-induced reactions↗
DOE OSTI2021

Phase‐Change‐Memory Process at the Limit: A Proposal for Utilizing Monolayer Sb 2 Te 3

Abstract One central task of developing nonvolatile phase change memory (PCM) is to improve its scalability for high‐density data integration. In this work, by first‐principles molecular dynamics, to date the thinnest PCM material possible (0.8 nm), namely, a monolayer Sb 2 Te 3 , is proposed. Importantly, its SET (crystallization) process is a fast one‐step transition from amorphous to hexagonal phase without the usual intermediate cubic phase. An increased spatial localization of electrons due to geometrical confinement is found to be beneficial for keeping the data nonvolatile in the amorphous phase at the 2D limit. The substrate and superstrate can be utilized to control the phase change behavior: e.g., with passivated SiO 2 (001) surfaces or hexagonal Boron Nitride, the monolayer Sb 2 Te 3 can reach SET recrystallization in 0.54 ns or even as fast as 0.12 ns, but with unpassivated SiO 2 (001), this would not be possible. Besides, working with small volume PCM materials is also a natural way to lower power consumption. Therefore, the proposed PCM working process at the 2D limit will be an important potential strategy of scaling the current PCM materials for ultrahigh‐density data storage.

2D limit↗
DOE OSTI2022

Proton-Conducting Ceramic Electrolyzers for High-Temperature Water Splitting

This project is centered on an exciting new class of proton-conducting ceramic materials that are emerging from the laboratory to play important roles in the commercial sector. While proton-conducting ceramics have been studied since the early 1980s, the unique properties of these materials are only now being harnessed to address societal challenges. The objective of this project is to develop advanced high-temperature water splitting (HTWS) systems for production of hydrogen at a cost less than $2 / kg H2. The specific objectives include development of efficient and durable electrolytic cells and stacks using innovative proton-conducting ceramic materials and operating at a temperature ≥ 500°C. The technical performance targets for the electrolysis stack include: specific resistance of ≤ 0.30 Ω cm 2 , stack electrical efficiency > 95% LHV H2 with current density > 1 A / cm 2 , and a projected stack lifetime of ≥ 7 years. In this program, FuelCell Energy (FCE) teamed with Colorado School of Mines (CSM) to deliver a novel protonic-ceramic electrolysis cell (PCEC) stack capable of producing over 1 kg H2 / day. These targets were demonstrated in an HTWS stack with a capacity for producing ≥1 kg H2 / day.

08 HYDROGEN↗
DOE OSTI2022

Achieving SEI preformed graphite in flow cell to mitigate initial lithium loss

The irreversible lithium loss due to the formation of solid electrolyte interphase (SEI) in the initial cycle on the graphite anode greatly reduces the overall cell energy density of lithium ion batteries, that is, the lost Li ions from forming SEI lead to the decrease of Li ions for the intercalation. The method of cathode prelithiation has been widely explored to compensate this lithium loss. However, these cathode additives with high lithium contents inevitably lower the loading of the cathode active materials. In this work, we report a novel approach to solve this challenge, a facile graphite prelithiation method by preforming SEI layers on the surface of graphite powders (Pre-SEI graphite) utilizing a specially designed flow cell. The Li accommodation in the graphite anode can be controlled by the operating time and current density in the flow cell for the electrochemical SEI formation. As a result, we demonstrate a 10% initial Columbic efficiency increase of the LiFePO 4 electrode in a full cell configuration using the Pre-SEI graphite, compared with the pristine graphite anode. The electrochemical preformation of SEI on the graphite powders offers a complete solution to offset initial lithium loss without a sacrifice of active cathode material loading.

25 ENERGY STORAGE↗
DOE OSTI2021

Layer-structured triple-conducting electrocatalyst for water-splitting in protonic ceramic electrolysis cells: Conductivities vs. activity

Electron, proton and oxygen-triple-conducting materials are becoming the dominant steam electrode candidate to break the rate limit on the water-splitting reaction that throttles the performance of protonic ceramic electrolysis cells (PCECs). In this study, based on Pr 2 NiO 4+δ Ruddlesden-Popper phase, we manipulate these conductivities by Pr-site Ba substitution to probe the correlation of each conductivity with the kinetics of the elementary reaction steps. It is found that the proton conductivity is vital to sustain an extended active surface area for faster adsorption of reactants and desorption of products. The effect of oxygen conductivity is surprisingly found insignificant in the water-splitting reaction. On the contrary, surface oxygen removal is discovered as the most rate-limiting process. The electronic conductivity is not a direct limiting factor. However, an electron transfer process between the current collector and the electrode junction could introduce extra resistance that is perceptible at a high operating temperature range. The best water-splitting activity is obtained on a proton conductivity/oxygen surface desorption capability well-balanced sample after Ba substitution. As a result, a water-splitting reaction resistance of 0.022 Ωcm 2 , a current density of 1.96 A/cm 2 at 700 °C is achieved on Pr 1.7 Ba 0.3 NiO 4+δ , one of the best performances for PCECs.

25 ENERGY STORAGE↗
DOE OSTI2023

Highly Oxidized Oxide Surface toward Optimum Oxygen Evolution Reaction by Termination Engineering

The oxygen evolution reaction (OER) is a critical step for sustainable fuel production through electrochemistry process. Maximizing active sites of nanocatalyst with enhanced intrinsic activity, especially the activation of lattice oxygen, is gradually recognized as the primary incentive. Since the surface reconfiguration to oxyhydroxide is unavoidable for oxygen-activated transition metal oxides, developing a surface termination like oxyhydroxide in oxides is highly desirable. In this work, we demonstrate an unusual surface termination of (111)-facet Co 3 O 4 nanosheet that is exclusively containing edge-sharing octahedral Co 3+ similar to CoOOH that can perform at approximately 40 times higher current density at 1.63 V (vs RHE) than commercial RuO 2 . It is found that this surface termination has an oxidized oxygen state in contrast to standard Co-O systems, which can serve as active site independently, breaking the scaling relationship limit. Finally, this work forwards the applications of oxide electrocatalysts in the energy conversion field by surface termination engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

All 2D Material Printed Diodes and Circuits on Paper for Sustainable Electronics

Sustainable electronics aim to reduce environmental impact by using ecofriendly materials, energy-efficient manufacturing, and recyclable components. However, existing approaches rely on complex, resource-intensive methods, rare metals, or nanomaterials with limited stability as well as plastic substrates, raising sustainability issues. Solution-processed two-dimensional (2D) materials offer a promising alternative: water-based and biocompatible conductive, semiconductive, and insulating 2D material inks can be produced with scalable techniques and are suitable for the fabrication of fully printed devices on low-cost and biodegradable paper substrates. However, 2D material only and fully printed diodes on paper have not yet been reported. Here, we demonstrate fully inkjet-printed 2D material-based diodes on paper using metal-insulator-semiconductor and metal-insulator-metal-semiconductor architectures. Water-based graphene and MoS2 inks, prepared by liquid-phase exfoliation, are used for the metallic and insulating films, while electrochemical exfoliation is used to produce the semiconducting MoS2 ink. The highest forward-to-reverse current ratio obtained is 330 (at ±2 V), while the forward current density is 1 mA/cm2 (at 1 V), making the diode performance comparable to the best solution-processed diodes reported so far. However, in contrast to previous works, fabrication occurs entirely at room temperature and ambient pressure, without using high-pressure sputtering, thermal evaporation, and any precious metal ink. The devices maintain stable performance under bending up to strain of 4% over 10,000 cycles. Finally, the diodes are successfully integrated with other 2D-material based electrical components to realize fully printed RC circuits, differentiators, integrators, and AC-to-DC converters onto paper, hence demonstrating the suitability of our approach for sustainable and disposable integrated circuits.

2D materials↗
DOE OSTI2023

Significant reduction in the low-field magnetization of Nb 3 Sn superconducting strands using the internal oxidation APC approach

Nb 3 Sn superconductors are promising for building accelerator magnets for future energy-frontier circular colliders. A critical factor for this application is the low-field persistent-current magnetization because it leads to several critical issues: e.g. low-field instability (including flux jumps), hysteresis loss, and field errors in magnet bores. Suppression of low-field magnetization requires reduction of low-field critical current density (J c ) or effective subelement size (d eff ). However, reduction of deff of state-of-the-art Nb 3 Sn conductors—the restacked-rod-process (RRP ® ) type—below 40–50 μm without a pronounced decrease in high-field J c is difficult. On the other hand, the internal oxidation method which forms artificial pinning centers (APC) in Nb 3 Sn offers an alternative approach to reducing the low-field magnetization. Compared with a conventional Nb 3 Sn conductor whose flux pinning force versus field (F p –B) curve peaks at ~20% of its irreversibility field (B irr ), the F p –B curve peaks of APC conductors shift to higher fields due to the point pinning effect, leading to flattening of the J c –B curves. The goal of this paper is to quantitatively study how much the APC approach can reduce the low-field magnetization. Here we measured the J c –B curves of an RRP ® conductor and two APC conductors (reacted at 700 °C) from zero field to B irr using a high-field vibrating sample magnetometer. Here the results showed that the APC conductors have higher non-Cu J c at high fields (e.g. 32%–41% higher at 16 T) and simultaneously lower non-Cu Jc at low fields (e.g. 28%–34% lower at 1 T) compared with the RRP ® . This effect is due to a competition between their Nb3Sn layer fraction ratios and layer F p ratios. Suppose they reach the same 16 T non-Cu J c , then the 1 T non-Cu J c and magnetization of the APC conductors are only half or even less compared with the RRP ® conductor.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Design of a Continuous Pellet Fueling System for Wendelstein 7-X

A continuous pellet fueling system (CPFS) is currently being designed at the Oak Ridge National Laboratory (ORNL) for the long pulse operation of the Wendelstein 7-X (W7-X) stellarator. The purpose of the CPFS is to provide deep continuous fueling for feedback-controlled high-density operation and mitigation of predicted hollow density profiles. As described here, the system will provide the capability to inject cylindrical pellets of solid hydrogen or deuterium into the plasma core, with flexibility to vary the pellet size, velocity, and injection frequency. Pellets are nominally of 3 mm in diameter and have a length between 1 and 4 mm. The heart of the CPFS is a vertically oriented, twin-screw extruder, cooled by three Gifford-McMahon cryocoolers in parallel, designed to form a continuous filament of hydrogen or deuterium. The filament width, which determines the pellet length, can be adjusted by means of a variable nozzle driven by a linear actuator at the base of the extruder. Coupled to the nozzle is a solenoid-operated gas gun and cutter assembly. A pneumatic propellant valve pulses a burst of ~60 bar helium to accelerate the cut pellet into W7-X. Three gaps in the guide tubes provide pumping locations to remove the helium propellant before it reaches the plasma. The maximum velocity of the pellet is limited by its ability to survive navigating the guide tube trajectory intact. A microwave cavity located within the guide tube provides the capability to measure the pellet size and velocity. The mechanical and thermal designs of the W7-X extruder, adjustable nozzle, and gun and cutter assembly design are described. A guide tube design and experimental pellet survivability test results are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Toward fusion plasma scenario planning for NSTX-U using machine-learning-accelerated models

One of the most promising devices for realizing power production through nuclear fusion is the tokamak. To maximize performance, it is preferable that tokamak reactors achieve advanced operating scenarios characterized by good plasma confinement, improved magnetohydrodynamic (MHD) stability, and a largely non-inductively driven plasma current. Such scenarios could enable steady-state reactor operation with high \emph{fusion gain} --- the ratio of produced fusion power to the external power provided through the plasma boundary. Precise and robust control of the evolution of the plasma boundary shape as well as the spatial distribution of the plasma current, density, temperature, and rotation will be essential to achieving and maintaining such scenarios. The complexity of the evolution of tokamak plasmas, arising due to nonlinearities and coupling between various parameters, motivates the use of model-based control algorithms that can account for the system dynamics. In this work, a learning-based accelerated model trained on data from the National Spherical Torus Experiment Upgrade (NSTX-U) is employed to develop planning and control strategies for regulating the density and temperature profile evolution around desired trajectories. The proposed model combines empirical scaling laws developed across multiple devices with neural networks trained on empirical data from NSTX-U and a database of first-principles-based computationally intensive simulations. The reduced execution time of the accelerated model will enable practical application of optimization algorithms and reinforcement learning approaches for scenario planning and control development. An initial demonstration of applying optimization approaches to the learning-based model is presented, including a strategy for mitigating the effect of leaving the finite validity range of the accelerated model. The approach shows promise for actuator planning between experiments and in real-time.

machine learning↗