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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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Study on the Carbon Nanostructures for Nanosized Si Electrodes

Silicon (Si) has been considered as a next-generation anode material due to natural abundance, low operating potential (<0.5 V vs. Li/Li+), and high theoretical specific capacity of 4200 mAh g-1.[1] However, the electrochemical alloying reaction of Si involves large volume changes of 400% during lithiation and delithiation, causing cracking and pulverization of Si.[1] In addition, solid electrolyte interface (SEI) of Si anode experiences constant changes due to unstable SEI reactivity.[2] Considerable efforts have been made to design nanostructured Si materials to address the issues because nanostructuring can relieve the mechanical strain.[3] However, when compared to micrometer-sized active materials having sufficient electrolyte pathway through interparticle space, the nanoparticle (NP)-based electrodes tend to be densely packed. As mass loading is higher and electrode is thicker, ion transport issue can become more severe in the densely packed electrodes.[4] In this work, we will present studies on engineered porosity impacts performance in Si NP electrodes by altering carbon nanostructures. We explore the extreme limit of effectively non-porous electrodes using quasi-spherical, Si NPs, which result in densely packed electrodes when slurry is prepared with conventional carbon black. We engineer porosity using carbon nanostructures including multi-walled carbon nanotubes and carbon nanorods in place of conventional carbon black to create pore structure in Si NP-based electrodes. These experiments provide a correlation between mass loading, porosity and silicon utilization in Si NP-based electrodes. References: [1] C. K. Chan, H. Peng, G. Liu, K. Mcllwrath, X. F. Zhang, R. A. Huggins, Y. Cui, "High-performance lithium battery anodes using silicon nanowires", Nat. Nanotechnol., 2008, 3, 31, [2] J. D. McBrayer, M.-T. F. Rodrigues, M. C. Schulze, D. P. Abraham, C. A. Apblett, I. Bloom, G. M. Carroll, A. M. Coclasure, C. Fang, K. L. Harrison, G. Liu, S. D. Minteer, N. R. Neale, G. M. Veith, C. S. Johnson, J. T. Vaughey, A. K. Burrel, B. Cunningham, "Calendar aging of silicon-containing batteries", Nat. Energy, 2021, 6, 1164, [3] H. Wu, G. Zheng, N. Liu, T. J. Carney, Y. Yang, Y. Cui, "Engineering Empty space between Si Nanoparticles for Lithium-Ion Battery Anodes", Nano Lett., 2012, 12, 904, [4] X. Zhang, Z. Ju, Y. Zhu, K. J. Takeuchi, E. S. Takeuchi, A. C. Marschilok, G. Yu, "Multiscale Understanding and Architecture Design of High Energy/Power Lithium-Ion Battery Electrodes", Adv. Energy Mater., 2021, 11, 2000808

carbon nanostructure↗
DOE OSTI2020

Sonochemical synthesis of carbon dots, mechanism, effect of parameters, and catalytic, energy, biomedical and tissue engineering applications

Carbon-based nanomaterials are gaining more and more interest because of their wide range of applications. In this study, carbon dots (CDs) have shown exclusive interest due to unique and novel physicochemical, optical, electrical, and biological properties. Since their discovery, CDs became a promising material for wide range of research applications from energy to biomedical and tissue engineering applications. At same time several new methods have been developed for the synthesis of CDs. Compared to many of these methods, the sonochemical preparation is a green method with advantages such as facile, mild experimental conditions, green energy sources, and feasibility to formulate CDs and doped CDs with controlled physicochemical properties and lower toxicity. In the last five years, the sonochemically synthesized CDs were extensively studied in a wide range of applications. In this review, we discussed the sonochemical assisted synthesis of CDs, doped CDs and their nanocomposites. In addition to the synthetic route, we will discuss the effect of various experimental parameters on the physicochemical properties of CDs; and their applications in different research areas such as bioimaging, drug delivery, catalysis, antibacterial, polymerization, neural tissue engineering, dye absorption, ointments, electronic devices, lithium ion batteries, and supercapacitors. This review concludes with further research directions to be explored for the applications of sonochemical synthesized CDs.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Mesoscale atomic engineering in a crystal lattice

Controlling individual atoms using lasers, ion traps and scanning probe tips has transformed our understanding of matter and enabled breakthroughs in quantum science. Extending this control into three-dimensional (3D) solids and across mesoscopic scales, however, remains a foundational challenge. Electron irradiation in electron microscopes is known to induce atomic displacements, and atomic manipulation has been proposed and demonstrated. Yet repeated and deterministic control has remained elusive. Here, in this study, we demonstrate deterministic atomic engineering in a 3D crystal, creating ordered arrangements of more than 40,000 user-defined defects within minutes across a 150 nm × 100 nm × 13 nm volume. By steering individual Cr atoms in the magnetic semiconductor CrSBr into selected interstitial sites using an electron beam directed with sub-20-pm-scale accuracy, we create vacancy–interstitial complexes. The resulting impurity array forms a mesoscale crystal embedded within the host lattice, a new form of engineered artificial matter that remains stable at room temperature and outside the microscope. By tracking Cr atom displacements, we identify conditions under which the defect structures are predictable. Our calculations suggest that these defects form correlated impurity states with intra-defect optical transitions and inter-defect kinetic and Coulomb interactions. This establishes a generalizable platform for atomic defect engineering at mesoscopic, and potentially macroscopic, scales, opening opportunities for scalable quantum technologies, including deterministic colour-centre placement, quantum simulation of many-body lattice models and atomic-scale manufacturing.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2022

From an antiferromagnetic insulator to a strongly correlated metal in square-lattice MCl 2 (pyrazine) 2 coordination solids

Electronic synergy between metal ions and organic linkers is a key to engineering molecule-based materials with a high electrical conductivity and, ultimately, metallicity. To enhance conductivity in metal-organic solids, chemists aim to bring the electrochemical potentials of the constituent metal ions and bridging organic ligands closer in a quest to obtain metal- d and ligand- π admixed frontier bands. Herein, we demonstrate the critical role of the metal ion in tuning the electronic ground state of such materials. While VCl 2 (pyrazine) 2 is an electrical insulator, TiCl 2 (pyrazine) 2 displays the highest room-temperature electronic conductivity (5.3 S cm –1 ) for any metal-organic solid involving octahedrally coordinated metal ions. Notably, TiCl 2 (pyrazine) 2 exhibits Pauli paramagnetism consistent with the specific heat, supporting the existence of a Fermi liquid state (i.e., a correlated metal). This result widens perspectives for designing molecule-based systems with strong metal-ligand covalency and electronic correlations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Metal sulfide ion exchangers: superior sorbents for the capture of toxic and nuclear waste-related metal ions

Metal sulfide ion-exchangers (MSIEs) represent a new addition to the field of ion exchange materials. This is a growing class of materials that display exceptional selectivity and rapid sorption kinetics for soft or relatively soft metal ions as a result of their soft basic frameworks. Without requiring functionalization, they outperform the most efficient sulfur-functionalized materials. This is the first review focusing on this class of materials; it covers the most important MSIEs, focusing on their synthesis, structural features and ion-exchange chemistry. Furthermore, recent developments in the engineered and composite forms of MSIEs are described. Future research opportunities are also discussed in the hope of inspiring additional scientists to engage in this new area of research on sulfidic ion-exchange materials.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2023

Use of Convolutional Neural Network Image Classification and High-Speed Ion Probe Data Toward Real-Time Detonation Characterization in a Water-Cooled Rotating Detonation Engine

As rotating detonation engines (RDEs) progress in maturity, the importance of monitoring advancements toward development of active control becomes more critical. Experimental RDE data processing at time scales which satisfy real-time diagnostics will likely require the use of machine learning. This study aims to develop and deploy a novel real-time monitoring technique capable of determining detonation wave number, direction, frequency, and individual wave speeds throughout experimental RDE operational windows. To do so, the diagnostic integrates image classification by a convolutional neural network (CNN) and ionization current signal analysis. Wave mode identification through single-image CNN classification bypasses the need to evaluate sequential images and offers instantaneous identification of the wave mode present in the RDE annulus. Here, real-time processing speeds are achieved due to low data volumes required by the methodology, namely one short-exposure image and a short window of sensor data to generate each diagnostic output. The diagnostic acquires live data using a modified experimental setup alongside Pylon and PyDAQmx libraries within a python data acquisition environment. Lab-deployed diagnostic results are presented across varying wave modes, operating conditions, and data quality, currently executed at 3–4 Hz with a variety of iteration speed optimization options to be considered as future work. These speeds exceed that of conventional techniques and offer a proven structure for real-time RDE monitoring. The demonstrated ability to analyze detonation wave presence and behavior during RDE operation will certainly play a vital role in the development of RDE active control, necessary for RDE technology maturation toward industrial integration.

42 ENGINEERING↗
DOE OSTI2016

Distinct nanoscale reaction pathways in a sulfide material for sodium and lithium batteries

Sodium-ion batteries are attractive because of their potentially lower cost than lithium-ion systems. However, the larger ionic radius of Na + means that candidate electrode materials often undergo more substantial volumetric changes during reaction as compared to Li-ion batteries, and these changes must be understood and controlled for the development of electrode materials with long cycle life. Here, nanoscale-to-macroscale transformation pathways are investigated in real time in Cu 2 S (a sulfide electrode material) during electrochemical reaction with Na and Li. In situ and ex situ X-ray diffraction reveal that the overall phase transformations in Cu 2 S electrodes are similar within both Na and Li cells. However, in situ transmission electron microscopy (TEM) shows that the nanoscale reaction pathways differ significantly, which likely contributes to observed differences in electrochemical behavior. In spite of these dissimilarities, Na/Cu 2 S electrochemical cells are shown to exhibit excellent cycle life for the first time (negligible capacity decay over 400 cycles), which is similar to the Li case. Therefore, although the more substantial volume changes during the sodiation of Cu 2 S induce a new reaction pathway, they do not cause accelerated capacity decay, as is commonly argued for Na-ion materials. These results suggest that other large-volume-change electrode materials may also be engineered for long cycle life in next-generation Na-ion batteries.

25 ENERGY STORAGE↗
DOE OSTI2020

A Cost-Performance Analysis of a Sodium Heat Engine for Distributed Concentrating Solar Power

We present that a sodium thermal electrochemical converter (Na-TEC) generates electricity directly from heat through isothermal expansion of sodium ions across a beta"-alumina solid-electrolyte. This heat engine has been considered for use with conventional concentrating solar power (CSP) systems before. However, unlike previous single-stage devices, the improved design uses two stages with an interstage reheat, allowing more economical and efficient conversion up to 29% at a hot side temperature of 850 °C. Herein, a cost-performance analysis for this improved design assesses opportunities for distributed-CSP in the context of micro-combined heat and power systems. A high-level techno-economic analysis (TEA) is presented that explores four scenarios where a Na-TEC is used as the heat engine for a distributed-CSP system. Overnight capital cost and levelized cost of electricity (LCOE) are estimated for a system lifetime of 30 years, revealing that overnight capital costs in a range from $3.57 to $17.71 per W e are feasible, which equate to LCOEs from 6.9 to 17.2 cents kWh e -1 . This analysis makes a significant contribution by concurrently quantifying the efficiency and unit costs for a range of multistage configurations, and demonstrating that a Na-TEC may be a promising alternative to Stirling engines for distributed-CSP systems at residential scale of 1–5 kW e .

14 SOLAR ENERGY↗
DOE OSTI2025

Effect of Carbon Support Heat Treatment on the Performance of Ion-Pair High-Temperature PEM Fuel Cells

Heat treatment can significantly alter the physical and chemical properties of carbon supports, thereby influencing the performance of proton exchange membrane (PEM) fuel cells. This study explores how varying carbon heat treatment temperatures—from 1,000 °C to 2,200 °C—affect the structure and performance of platinum-based catalysts in high-temperature PEM fuel cells. Increasing the heat treatment temperature led to a notable decrease in surface area, along with increases in carbon grain size and hydrophobicity. Although the catalyst supported on carbon treated at 1,000 °C exhibited the highest catalyst activity, the MEA using carbon treated at 1,500 °C delivered the best overall fuel cell performance. This is attributed to an optimized balance between hydrophobicity and accessible surface area, which enhances water management and catalyst utilization. These findings underscore the importance of carbon support engineering in improving the efficiency of ion-pair high-temperature PEM fuel cells.

08 HYDROGEN↗
DOE OSTI2013

Lithium implantation at low temperature in silicon for sharp buried amorphous layer formation and defect engineering

The crystalline-to-amorphous transformation induced by lithium ion implantation at low temperature has been investigated. The resulting damage structure and its thermal evolution have been studied by a combination of Rutherford backscattering spectroscopy channelling (RBS/C) and cross sectional transmission electron microscopy (XTEM). Lithium low-fluence implantation at liquid nitrogen temperature is shown to produce a three layers structure: an amorphous layer surrounded by two highly damaged layers. A thermal treatment at 400 Degree-Sign C leads to the formation of a sharp amorphous/crystalline interfacial transition and defect annihilation of the front heavily damaged layer. After 600 Degree-Sign C annealing, complete recrystallization takes place and no extended defects are left. Anomalous recrystallization rate is observed with different motion velocities of the a/c interfaces and is ascribed to lithium acting as a surfactant. Moreover, the sharp buried amorphous layer is shown to be an efficient sink for interstitials impeding interstitial supersaturation and {l_brace}311{r_brace} defect formation in case of subsequent neon implantation. This study shows that lithium implantation at liquid nitrogen temperature can be suitable to form a sharp buried amorphous layer with a well-defined crystalline front layer, thus having potential applications for defects engineering in the improvement of post-implantation layers quality and for shallow junction formation.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Review Article: Stress in thin films and coatings: Current status, challenges, and prospects

The issue of stress in thin films and functional coatings is a persistent problem in materials science and technology that has congregated many efforts, both from experimental and fundamental points of view, to get a better understanding on how to deal with, how to tailor, and how to manage stress in many areas of applications. With the miniaturization of device components, the quest for increasingly complex film architectures and multiphase systems and the continuous demands for enhanced performance, there is a need toward the reliable assessment of stress on a submicron scale from spatially resolved techniques. Also, the stress evolution during film and coating synthesis using physical vapor deposition (PVD), chemical vapor deposition, plasma enhanced chemical vapor deposition (PECVD), and related processes is the result of many interrelated factors and competing stress sources so that the task to provide a unified picture and a comprehensive model from the vast amount of stress data remains very challenging. This article summarizes the recent advances, challenges, and prospects of both fundamental and applied aspects of stress in thin films and engineering coatings and systems, based on recent achievements presented during the 2016 Stress Workshop entitled “Stress Evolution in Thin Films and Coatings: from Fundamental Understanding to Control.” Evaluation methods, implying wafer curvature, x-ray diffraction, or focused ion beam removal techniques, are reviewed. Selected examples of stress evolution in elemental and alloyed systems, graded layers, and multilayer-stacks as well as amorphous films deposited using a variety of PVD and PECVD techniques are highlighted. Based on mechanisms uncovered by in situ and real-time diagnostics, a kinetic model is outlined that is capable of reproducing the dependence of intrinsic (growth) stress on the grain size, growth rate, and deposited energy. The problems and solutions related to stress in the context of optical coatings, inorganic coatings on plastic substrates, and tribological coatings for aerospace applications are critically examined. This review also suggests strategies to mitigate excessive stress levels from novel coating synthesis perspectives to microstructural design approaches, including the ability to empower crack-based fabrication processes, pathways leading to stress relaxation and compensation, as well as management of the film and coating growth conditions with respect to energetic ion bombardment. Future opportunities and challenges for stress engineering and stress modeling are considered and outlined.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Current challenges and potential directions towards precision microscale additive manufacturing – Part III: Energy induced deposition and hybrid electrochemical processes

The Part III of the four-part series of articles discusses the challenges and opportunities in microscale additive manufacturing processes, specifically focusing on energy-induced deposition and electrochemical processes. Compared to the direct ink write (DIW) and laser-based processes, the energy-induced deposition methods can fabricate high-resolution, high aspect ratio and complex parts, while the hybrid electrochemical process can be used to fabricate complex parts using a wide range of conductive and photoactive materials. However, the volumetric throughput of these processes is lower than their DIW and laser-based counterparts. The processes that have been explored in this process are Focused-ion Beam Induced Deposition (FIBID), Laser Chemical Vapor Deposition (LCVD), Menicus-confined Electrodeposition (MCED) and Laser-Enabled Electrochemical Printing (LECP). The range of processable materials, feature-size resolution, geometry and volumetric throughput are used as factors to evaluate the current state-of-the-art for these processes. Finally, novel approaches have been proposed in the article to address these challenges associated with microscale AM processes.

42 ENGINEERING↗
DOE OSTI2023

Direct Measurements of Ionic Transport Behavior of Dual-Layer Porous Electrodes

To improve power and cycling performance of lithium-ion batteries, dual-layer or porosity-gradient electrodes have been proposed. By engineering a higher porosity close to the separator, the intention is to improve ion transport where it is most impactful. In this research, MacMullin numbers of two dual-layer anode samples are tested using an impedance measurement technique developed previously. To characterize the microstructure of each layer independently, we developed an improved transmission-line model that accounts for each layer's properties.Virtual experiments using COMSOL Multiphysics to simulate impedance measurements are used to examine and improve the accuracy of the numerical inversion procedure. The results for the two dual-layer anodes studied show that MacMullin numbers follow expected trends, though the anodes are quite different from each other.

Dual-Layer Electrodes↗
DOE OSTI2020

Online ion mobility spectrometry of nanoparticle formation by non-thermal plasma conversion of metal salts in liquid aerosol droplets

The synthesis of nanoparticles by reaction of liquid aerosol droplets containing precursors in a flow-through, atmospheric-pressure, non-thermal plasma offers a continuous, scalable, substrate- and stabilizer-free approach for direct deposition into liquids or onto soft substrates. However, the combination of multiphase and non-equilibrium chemistry makes the process complicated and poorly understood. Here, we present ion mobility spectrometry measurements of liquid water droplets containing silver nitrate passing through an atmospheric-pressure dielectric barrier discharge reactor that allows us to monitor silver nanoparticle formation online for the first time. Mobility diameter distributions were obtained with the plasma on and off, and exhibited a shift, which was related to the degree of conversion of silver nitrate. The silver nanoparticles were also collected and characterized by UV–visible absorbance spectroscopy and transmission electron microscopy to support the online measurements. Importantly, negligible conversion was found when the water was removed by a diffusion dryer, suggesting that the key reducing species are in the liquid phase, such as solvated electrons. Finally, the study demonstrates how ion mobility spectrometry measurements can be applied to provide insight into this approach to nanoparticle synthesis.

42 ENGINEERING↗
DOE OSTI2022

Enabling Extreme Fast Charging through Control of Li Deposition Overpotential on Graphite Electrodes

Currently produced electric vehicles (EVs) rely on the use of lithium ion battery technology due to its high energy and power density. However, a major barrier facing the adoption of electric vehicles is that currently utilized Li-ion batteries take significantly longer to recharge (~ 30 minutes) compared to the time necessary to refuel vehicles powered by internal combustion engines (< 10 minutes). Thus, the need to develop Li-ion batteries which can be charged in approximately 10 minutes (6 C rate) without sacrificing range, cost, or cycle life is critical for the widespread implementation of EVs.

25 ENERGY STORAGE↗
DOE OSTI2017

Engineering the surface of LiCoO 2 electrodes using atomic layer deposition for stable high-voltage lithium ion batteries

Here, developing advanced technologies to stabilize positive electrodes of lithium ion batteries under high-voltage operation is becoming increasingly important, owing to the potential to achieve substantially enhanced energy density for applications such as portable electronics and electrical vehicles. Here, we deposited chemically inert and ionically conductive LiAlO 2 interfacial layers on LiCoO 2 electrodes using the atomic layer deposition technique. During prolonged cycling at high-voltage, the LiAlO 2 coating not only prevented interfacial reactions between the LiCoO 2 electrode and electrolyte, as confirmed by electrochemical impedance spectroscopy and Raman characterizations, but also allowed lithium ions to freely diffuse into LiCoO 2 without sacrificing the power density. As a result, a capacity value close to 200 mA·h·g –1 was achieved for the LiCoO 2 electrodes with commercial level loading densities, cycled at the cut-off potential of 4.6 V vs. Li + /Li for 50 stable cycles; this represents a 40% capacity gain, compared with the values obtained for commercial samples cycled at the cut-off potential of 4.2 V vs. Li + /Li.

25 ENERGY STORAGE↗