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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 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Realization of Electron Antidoping by Modulating the Breathing Distortion in BaBiO 3

The recent proposal of antidoping scheme breaks new ground in conceiving conversely functional materials and devices; yet, the few available examples belong to the correlated electron systems. Here, we demonstrate both theoretically and experimentally that the main group oxide BaBiO 3 is a model system for antidoping using oxygen vacancies. The first-principles calculations show that the band gap systematically increases due to the strongly enhanced Bi-O breathing distortions away from the vacancies and the annihilation of Bi 6 s /O 2 p hybridized conduction bands near the vacancies. Our further spectroscopic experiments confirm that the band gap increases systematically with electron doping, with a maximal gap enhancement of ~75% when the film's stoichiometry is reduced to BaBiO 2.75 . These results unambiguously demonstrate the remarkable antidoping effect in a material without strong electron correlations and underscores the importance of bond disproportionation in realizing such an effect.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1985

Compact acoustic levitation device for studies in fluid dynamics and material science in the laboratory and microgravity

An ultrasonic levitation device operable in both ordinary ground-based as well as in potential space-borne laboratories is described together with its various applications in the fields of fluid dynamics, material science, and light scattering. Some of the phenomena which can be studied by this instrument include surface waves on freely suspended liquids, the variations of the surface tension with temperature and contamination, the deep undercooling of materials with the temperature variations of their density and viscosity, and finally some of the optical diffraction properties of transparent substances.

Trinh, E. H.↗
DOE OSTI2021

Progress, Challenges, and Opportunities in the Synthesis, Characterization, and Application of Metal-Boride-Derived Two-Dimensional Nanostructures

Two-dimensional (2D) metal-boride-derived nanostructures have been a focus of intense research for the past decade, with an emphasis on new synthetic approaches, as well as on the exploration of possible applications in next-generation advanced materials and devices. Their unusual mechanical, electronic, optical, and chemical properties, arising from low dimensionality, present a new paradigm to the science of metal borides that has traditionally focused on their bulk properties. This Perspective discusses the current state of research on metal-boride-derived 2D nanostructures, highlights challenges that must be overcome, and identifies future opportunities to fully utilize their potential.

metals↗
NASA NTRS2001

ISS-Crystal Growth of Photorefractive Materials (BSO): Critical Design Issues for Optimized Data Extraction from Space Experiments

Realization of the full potential of photorefractive materials in device technology is seriously impeded by our inability to achieve controlled formation of critical defects during single crystal growth and by difficulties in meeting the required degree of compositional uniformity on a micro-scale over macroscopic dimensions. The exact nature and origin of the critical defects which control photorefractivity could not as yet be identified because of gravitational interference. There exists, however, strong evidence that the density of defect formation and their spatial distribution are adversely affected by gravitational interference which precludes the establishment of quantifiable and controllable heat and mass transfer conditions during crystal growth. The current, NASA sponsored research at MIT is directed at establishing a basis for the development of a comprehensive approach to the optimization of property control during melt growth of photorefractive materials, making use of the m-g environment, provided in the International Space Station. The objectives to be pursued in m-g research on photorefractive BSO (Bi12SiO20) are: (a) identification of the x-level(s) responsible for photorefractivity in undoped BSO; (b) development of approaches leading to the control of x-level formation at uniform spatial distribution; (c) development of doping and processing procedures for optimization of the critical, application specific parameters, spectral response, sensitivity, response time and matrix stability. The presentation will focus on: the rationale for the justification of the space experiment, ground-based development efforts, design considerations for the space experiments, strategic plan of the space experiments, and approaches to the quantitative analysis of the space experiments.

Hyers, Robert W.↗
DOE OSTI2026

Collaborative R&D with REEL Solar Inc (REEL) to Understand and Overcome Performance Limitations in CdTe Solar Cells: Cooperative Research and Development (Final Report)

This CRADA will focus on processing, advanced characterization, and testing of photovoltaic materials and devices to understand and improve REEL CdTe solar technology. This will include examining process variations and different buffer, absorber, and contact layers from REEL and NLR to maximize performance. The unique and diverse advanced characterization tools at NLR, such as time-resolved photoluminescence, capacitance-voltage measurements, electron beam scattered diffraction, cathodoluminescence, electron microscopy, TOF-SIMS, and other measurements will be applied to characterize REEL processing to improve understanding and guide experimental directions. Accelerated stability and potential induced degradation tests will be used to analyze metastability, short-and-long term degradation, and improve bankability. A second and major thrust this period will be joint development of Si/CdTe tandem solar cells to overcome industry wide terrestrial solar efficiency limits with the two lowest cost and manufacturable solar materials today. This will include developing novel transparent back contacts that can be incorporated into tandem structures and other novel solar applications, detailed analysis of designs and configurations for CdTe/Si tandem modules, and prototyping REEL CdTe Technology with Si bottom cells in tandem structures.

14 SOLAR ENERGY↗
DOE OSTI2020

Colossal oxygen vacancy formation at a fluorite-bixbyite interface

Oxygen vacancies in complex oxides are indispensable for information and energy technologies. There are several means to create oxygen vacancies in bulk materials. However, the use of ionic interfaces to create oxygen vacancies has not been fully explored. As such, we report an oxide nanobrush architecture designed to create high-density interfacial oxygen vacancies. An atomically well-defined (111) heterointerface between the fluorite CeO 2 and the bixbyite Y 2 O 3 is found to induce a charge modulation between Y 3+ and Ce 4+ ions enabled by the chemical valence mismatch between the two elements. Local structure and chemical analyses, along with theoretical calculations, suggest that more than 10% of oxygen atoms are spontaneously removed without deteriorating the lattice structure. Our fluorite–bixbyite nanobrush provides an excellent platform for the rational design of interfacial oxide architectures to precisely create, control, and transport oxygen vacancies critical for developing ionotronic and memristive devices for advanced energy and neuromorphic computing technologies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Light–Material Interactions Using Laser and Flash Sources for Energy Conversion and Storage Applications

Abstract This review provides a comprehensive overview of the progress in light–material interactions (LMIs), focusing on lasers and flash lights for energy conversion and storage applications. We discuss intricate LMI parameters such as light sources, interaction time, and fluence to elucidate their importance in material processing. In addition, this study covers various light-induced photothermal and photochemical processes ranging from melting, crystallization, and ablation to doping and synthesis, which are essential for developing energy materials and devices. Finally, we present extensive energy conversion and storage applications demonstrated by LMI technologies, including energy harvesters, sensors, capacitors, and batteries. Despite the several challenges associated with LMIs, such as complex mechanisms, and high-degrees of freedom, we believe that substantial contributions and potential for the commercialization of future energy systems can be achieved by advancing optical technologies through comprehensive academic research and multidisciplinary collaborations.

Materials Science↗
DOE OSTI2025

Neuromorphic heat transport effects in a molecular junction

Understanding energy transport at the nanoscale is an open and fundamental challenge in the molecular sciences with direct implications for the design of new electronics, computing devices, and materials. While nanoscale energy transport under steady-state conditions has been studied extensively, there is much less known about energy transport under time-dependent driving forces, particularly in the far-from-equilibrium regime. In this work, we use nonequilibrium molecular dynamics simulations and stochastic thermodynamics to investigate energy transport in a well-studied nanoscale system—a molecular junction—subjected to a time-periodic temperature gradient. The primary observation is that molecular junctions can exhibit heat transport hysteresis, a phenomenon in which the heat flux through a system depends not only on the instantaneous value of a time-dependent temperature bias but also on the temporal history of that bias. The presented findings illustrate that molecular junctions can exhibit the specific memory effect—heat transport hysteresis—that is essential for the design of thermal neuromorphic computers. This work elucidates a potential pathway toward the realization of such devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS2015

Low Earth Orbit Environmental Durability of Recently Developed Thermal Control Coatings

The Materials International Space Station Experiment provided a means to expose materials and devices to the low Earth orbit environment on the exterior of the International Space Station. By returning the specimens to Earth after flight, the specimens could be evaluated by comparison with pre-flight measurements. One area of continuing interest is thermal control paints and coatings that are applied to exterior surfaces of spacecraft. Though traditional radiator coatings have been available for decades, recent work has focused on new coatings that offer custom deposition or custom optical properties. The custom deposition of interest is plasma spraying and one type of coating recently developed as part of a Small Business Innovative Research effort was designed to be plasma sprayed onto radiator surfaces. The custom optical properties of interest are opposite to those of a typical radiator coating, having a combination of high solar absorptance and low infrared emittance for solar absorber applications, and achieved in practice via a cermet coating. Selected specimens of the plasma sprayed coatings and the solar absorber coating were flown on Materials International Space Station Experiment 7, and were recently returned to Earth for post-flight analyses. For the plasma sprayed coatings in the ram direction, one specimen increased in solar absorptance and one specimen decreased in solar absorptance, while the plasma sprayed coatings in the wake direction changed very little in solar absorptance. For the cermet coating deployed in both the ram and wake directions, the solar absorptance increased. Interestingly, all coatings showed little change in infrared emittance.

Optical Properties↗
DOE OSTI2023

Effects of Residual DMSO Adduct on Photonically Cured MAPbI 3 Solar Cells

Defects and impurities in halide perovskite solar cells can negatively impact device performance and long-term stability. In this study, we identify photonically cured methylammonium (MA) lead iodide films contain a residual adduct, MA 2 Pb 3 I 8 (dimethyl sulfoxide) 2 (MA 2 Pb 3 I 8 (DMSO) 2 ), that reduces photocurrent generation in perovskite solar cells (PSCs). This is evidenced by a decrease in the external quantum efficiency (EQE) near 400 nm. Similar EQE reductions were observed in PSCs produced using high-speed processes but have not been thoroughly examined. Through X-ray diffraction patterns and Fourier transform infrared spectroscopy, we establish the photo-inactive MA 2 Pb 3 I 8 (DMSO) 2 as the culprit for the EQE reduction. Combined experimental and simulation results reveal that the MA 2 Pb 3 I 8 (DMSO) 2 phase is located at the hole transport layer/ interface, not on the surface, resulting in lower quantum efficiency and surface photovoltage in the short wavelength region. The residual adduct is kinetically trapped due to the short processing time (20 ms) and crystallization direction but can be removed by an additional photonic pulse. Furthermore, this study highlights the need for careful examination of resulting materials beyond device efficiency when transitioning from laboratory processing to industrial high-speed methods.

14 SOLAR ENERGY↗
DOE OSTI2024

ATLAS-MAP: An Automated Test Station for Gated Electronic Transport Measurements

The diversification of electronic materials in devices provides a strong incentive for methods to rapidly correlate device performance with fabrication decisions. In this work, we present a low-cost automated test station for gated electronic transport measurements of field-effect transistors. Utilizing open-source PyMeasure libraries for transparent instrument control, the “ATLAS-MAP” system serves as a customizable interface between sourcemeters and samples under test and is programmed to conduct transfer curve and van der Pauw methods with static and sweeping gate voltages. Zinc oxide transistors of variable thickness (5, 10, and 20 nm) and channel size (50 μm to 3 mm, of equal length and width) were fabricated to validate the design. Standardization of testing procedures and raw data formatting enabled automated data analysis. A detailed list of parts and code files for the system are provided.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Linking Perfluorosulfonic Acid Ionomer Chemistry and High-Current Density Performance in Fuel-Cell Electrodes

Transport phenomena are key in controlling the performance of electrochemical energy-conversion technologies and can be highly complex, involving multiple length scales and materials/phases. Material designs optimized for one reactant species transport however may inhibit other transport processes. We explore such trade-offs in the context of polymer-electrolyte fuel-cell electrodes, where ionomer thin films provide the necessary proton conductivity but retard oxygen transport to the Pt reaction site and cause interfacial resistance due to sulfonate/Pt interactions. We examine the electrode overall gas-transport resistance and its components as a function of ionomer content and chemistry. Low-equivalent-weight ionomers allow better dissolved-gas and proton transport due to greater water uptake and low crystallinity but also cause significant interfacial resistance due to the high density of sulfonic acid groups. These effects of equivalent weight are also observed via in situ ionic conductivity and CO displacement measurements. Of critical importance, the results are supported by ex situ ellipsometry and X-ray scattering of model thin-film systems, thereby providing direct linkages and applicability of model studies to probe complex heterogeneous structures. Structural and resultant performance changes in the electrode are shown to occur above a threshold sulfonic-group loading, highlighting the significance of ink-based interactions. Furthermore, our findings and methodologies are applicable to a variety of solid-state energy-conversion devices and material designs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRSDate not supplied

Testbed for Lunar Extreme Environment Wear Tolerant Applications

The abrasive dust from lunar regolith poses significant long-term durability and performance challenges to materials, vehicles, mechanisms and structures that will be used for the next generation of lunar exploration. The development of advanced materials, coatings and device technologies that can withstand these abrasive particles and extreme environmental conditions is critical. However, the lack of standardized and accessible methods for evaluating such materials and devices in a facsimile of the harsh lunar environment hinders progress in dust-tolerant technologies. To address this challenge, NASA Langley Research Center is creating an extreme environment testbed. This reconfigurable testbed will allow rapid, repeatable wear testing of material and candidate mechanisms under vacuum conditions, facilitating the development of critical materials technologies for lunar exploration. Preliminary results from exposing an actuating mechanism similar to a pin joint to lunar regolith simulant under high vacuum are reported.

lunar dust↗
NASA NTRSDate not supplied

Testbed for Lunar Extreme Environment Wear Tolerant Applications

The abrasive dust from lunar regolith poses significant long-term durability and performance challenges to materials, vehicles, mechanisms and structures that will be used for the next generation of lunar exploration. The development of advanced materials, coatings and device technologies that can withstand these abrasive particles and extreme environmental conditions is critical. However, the lack of standardized and accessible methods for evaluating such materials and devices in a facsimile of the harsh lunar environment hinders progress in dust-tolerant technologies. To address this challenge, NASA Langley Research Center is creating an extreme environment testbed. This reconfigurable testbed will allow rapid, repeatable wear testing of material and candidate mechanisms under vacuum conditions, facilitating the development of critical materials technologies for lunar exploration. Preliminary results from exposing an actuating mechanism similar to a pin joint to lunar regolith simulant under high vacuum are reported.

lunar dust↗
NASA NTRSDate not supplied

Testbed for Lunar Extreme Environment Wear Tolerant Applications

The abrasive dust from lunar regolith poses significant long-term durability and performance challenges to materials, vehicles, mechanisms and structures that will be used for the next generation of lunar exploration. The development of advanced materials, coatings and device technologies that can withstand these abrasive particles and extreme environmental conditions is critical. However, the lack of standardized and accessible methods for evaluating such materials and devices in a facsimile of the harsh lunar environment hinders progress in dust-tolerant technologies. To address this challenge, NASA Langley Research Center is creating an extreme environment testbed. This reconfigurable testbed will allow rapid, repeatable wear testing of material and candidate mechanisms under vacuum conditions, facilitating the development of critical materials technologies for lunar exploration. Preliminary results from exposing an actuating mechanism similar to a pin joint to lunar regolith simulant under high vacuum are reported.

lunar dust↗
DOE OSTI2023

Hyperelastic binder for printed, stretchable electronics

Disclosed are compositions, devices, systems and fabrication methods for stretchable composite materials and stretchable electronics devices. In some aspects, an elastic composite material for a stretchable electronics device includes a first material having a particular electrical, mechanical or optical property; and a multi-block copolymer configured to form a hyperelastic binder that creates contact between the first material and the multi-block copolymer, in which the elastic composite material is structured to stretch at least 500% in at least one direction of the material and to exhibit the particular electrical, mechanical or optical property imparted from the first material. In some aspects, the stretchable electronics device includes a stretchable battery, biofuel cell, sensor, supercapacitor or other device able to be mounted to skin, clothing or other surface of a user or object.

Wang, Joseph↗
DOE OSTI2020

Intentional carbon doping reveals CH as an abundant charged impurity in nominally undoped synthetic WS 2 and WSe 2

Understanding the physical properties and controlling the generation of intrinsic and extrinsic defects is central to the technological adoption of 2D materials in devices. Here we identify a charged carbon-hydrogen complex at a chalcogen site (CH X ) as a common, charged impurity in synthetically grown transition metal dichalcogenides (TMDs). This conclusion is drawn by comparing high resolution scanning probe microscopy measurements of nominally undoped and intentionally carbon doped TMD samples. While CH impurity densities in undoped CVD-grown WS 2 and MOCVD-grown WSe 2 can range anywhere from parts per million to parts per thousand, CH densities in the percentage levels were selectively generated by a post-synthetic methane plasma treatment. Our study indicates that methane plasma treatment is a selective and clean method for the controlled introduction of a charged carbon-hydrogen complex at a surface chalcogen site, adefect that is commonly present in synthetic TMDs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Simple self-consistent method for excited states in density functional theory to characterize defect-derived behavior in wide-band-gap-based microelectronic materials

This final report summarizes the results of the Laboratory Direct Research and Development (LDRD) Project Number 229740. Wide band gap semiconductors such as gallium nitride (GaN) have features highly desirable for multiple mission electronic applications. Realization of their potential requires atomic-scale understanding of electronic behavior. The principal experimental tools for electronically probing defects in GaN are chemically undifferentiating and lack a practical theoretical counterpart needed to identify and characterize specific defects. This project investigated whether a simple idea for modeling defect excited states and their associated photoluminescence (PL) energies is viable, as a path to accelerate the understanding of defect behavior and gain valuable insights into engineering new electronic materials and devices. The research implemented a non-self-consistent total-energy evaluation of a Koopmans-type estimation of an excited electronic state energy in density functional theory (DFT) calculations, and proceeded to design, implement, and assess a self-consistent method for computing excited states based upon an OCcupation-Constrained-DFT (occ-DFT). The occ-DFT was verified in test calculations of defect excited states and validated against well-characterized PL data for 3d transition metal defects in GaN. The method proved stable and robust in computing excited states and gave accurate predictions compared to experimental PL data. The combined ground state/excited-state capability proved capable of chemically differentiating defect species in GaN. In application to 3d dopants in GaN, we reinterpreted extensive experimental literature, proposed new defects as prospective candidates for use in quantum information applications, and outlined design strategies to create and exploit these potentially useful functional defects in GaN.

36 MATERIALS SCIENCE↗