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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 OSTI2022

Pressure Engineering Promising Transparent Oxides with Large Conductivity Enhancement and Strong Thermal Stability

Abstract Transparent conducting oxides (TCO) with high electrical conductivity and high visible light transparency are desired for a wide range of high‐impact engineering. Yet, usually, a compromise must be made between conductivity and transparency, limiting the practical application of a TCO to the next level. Furthermore, TCO performance is highly sensitive to composition, so conventional synthesis methods, such as chemical doping, cannot unravel the mysteries of the quantitative structure–performance relationship. Thus, improving the fundamental understanding or creating materials‐by‐design has limited success. Here, a strategy is proposed to modulate the lattice and electronic and optical properties precisely by applying pressure on a TCO. Strikingly, after compression–decompression treatment on the indium titanium oxides (ITiO), a highly transparent and metastable phase with two orders of magnitude enhancement in conductivity is synthesized from an irreversible phase transition. Moreover, this phase possesses previously unattainable filter efficiency on hazardous blue light up to 600 °C, providing potential for healthcare‐related applications with strong thermal stability up to 200 °C. These results demonstrate that pressure engineering is a clean and effective tool for tailoring functional materials that are not achievable by other means, providing an exciting alternative property‐tuning dimension in materials science.

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

Oxygen Atom Transfer Reactions of Colloidal Metal Oxide Nanoparticles

Redox transformations at metal oxide (MO x )/solution interfaces are broadly important, and oxygen atom transfer (OAT) is one of the simplest and most fundamental examples of such reactivity. OAT is a two-electron transfer process, well-known in gas/solid reactions and catalysis. However, OAT is rarely directly observed at oxide/water interfaces, whose redox reactions are typically proposed to occur in one-electron steps. Reported here are stoichiometric OAT reactions of organic molecules with aqueous colloidal titanium dioxide and iridium oxide nanoparticles (TiO 2 and IrO x NPs). Me 2 SO (DMSO) oxidizes reduced TiO 2 NPs with the formation of Me 2 S, and IrO x NPs transfer O atoms to a water-soluble phosphine and a thioether. The reaction stoichiometries were established and the chemical mechanisms were probed using typical solution spectroscopic techniques, exploiting the high surface areas and transparency of the colloids. Furthermore, these OAT reactions, including a catalytic example, utilize the ability of the individual NPs to accumulate many electrons and/or holes. Observing OAT reactions of two different materials, in opposite directions, is a step toward harnessing oxide nanoparticles for valuable multi-electron and multi-hole transformations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Measuring recoiling nucleons from the nucleus with the future Electron Ion Collider

Short range correlated nucleon-nucleon (NN) pairs are an important part of the nuclear ground state. They are typically studied by scattering an electron from one nucleon in the pair and detecting its spectator correlated partner (spectator-nucleon tagging). The Electron Ion Collider (EIC)should be able to detect these nucleons, since they are boosted to high momentum in the lab frame by the momentum of the ion beam. To determine the feasibility of these studies with the planned EIC detector configuration, we have simulated quasi-elastic scattering for two electron and ion beam energy configurations: 5 GeV electrons and 41 GeV/A ions, and 10 GeV electrons and 110 GeV/A ions. We show that the knocked-out and recoiling nucleons can be detected over a wide range of initial nucleon momenta. We also show that these measurements can achieve much larger momentum transfers than current fixed target experiments. By detecting both low and high initial-momentum nucleons,the EIC will provide the data that should allow scientists to definitively show if the EMC effect and short-range correlation are connected, and to improve our understanding of color transparency

Hauenstein, F. (ORCID:0000000212652212)↗
DOE OSTI2025

Spatio-spectral optical fission in time-varying subwavelength layers

Transparent conducting oxides are highly doped semiconductors that exhibit favourable optical features compared with metals, including reduced material losses, tuneable electronic and optical properties, and enhanced damage thresholds. Recently, the photonic community has renewed its attention towards these materials, recognizing their remarkable nonlinear optical properties in the near-infrared spectrum. The exceptionally large and ultrafast change in the refractive index, which can be optically induced in these compounds, extends beyond the boundaries of conventional perturbative analysis and makes this class of materials the closest approximation to a time-varying system. Here we report the spatio-spectral fission of an ultrafast pulse trespassing a thin film of aluminium zinc oxide with a non-stationary refractive index. By applying phase conservation to this time-varying layer, our model can account for both space and time refraction and explain, in quantitative terms, the spatial separation of both spectrum and energy. Our findings represent an example of extreme nonlinear phenomena on subwavelength propagation distances, which provides new insights into transparent conducting oxides’ transient optical properties. This can be critical for the ongoing research on photonic time crystals, on-chip generation of non-classical states of light, integrated optical neural networks, ultrafast beam steering and frequency-division multiplexing.

integrated optics↗
DOE OSTI2021

A naphthalene diimide side-chain polymer as an electron-extraction layer for stable perovskite solar cells

Poly(N-(5-(5-norbornene-2-carbonyl)oxy)pentyl)-N'-n-hexyl-naphthalene-1,8:4,5-bis(dicarboximide) has been synthesized by esterification of (N-(5-hydroxypentyl)-N'-n-hexyl-naphthalene-1,8:4,5-bis(dicarboximide)) with exo-5-norbornene-2-carboxylic acid, and has been polymerized using the first-generation Grubbs initiator. This side-chain polymer exhibits good transparency throughout the visible (absorption onset at ca. 400 nm), good solubility in common low- and medium-polarity organic solvents, good resistance to dimethylformamide, and appropriate electron affinity for use as an electron-extraction layer in lead-halide perovskite solar cells. The performance of this polymer in n-i-p perovskite solar cells was compared to that of several small-molecule naphthalene-1,8:4,5-bis(dicarboximide) derivatives and of SnO 2 . Solar cells using the polymer exhibited open-circuit voltages of up to 1.02 V, short-circuit currents of over 21 mA cm –2 , and power conversion efficiencies (PCE) reaching 14% which stabilize at 13.8% upon 90 s of illumination. Meanwhile control SnO 2 devices exhibited a PCE of ca. 16%, and small-molecule devices gave PCE values of less than 10%. Here, the devices employing the polymer exhibited improved long-term stability relative to the SnO 2 control devices under continuous illumination.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Low‐Loss Tunable Infrared Plasmons in the High‐Mobility Perovskite (Ba,La)SnO 3

Abstract BaSnO 3 exhibits the highest carrier mobility among perovskite oxides, making it ideal for oxide electronics. Collective charge carrier oscillations known as plasmons are expected to arise in this material, thus providing a tool to control the nanoscale optical field for optoelectronics applications. Here, the existence of relatively long‐lived plasmons supported by high‐mobility charge carriers in La‐doped BaSnO 3 (BLSO) is demonstrated. By exploiting the high spatial and energy resolution of electron energy‐loss spectroscopy with a focused beam in a scanning transmission electron microscope, the dispersion, confinement ratio, and damping of infrared localized surface plasmons (LSPs) in BLSO nanoparticles are systematically investigated. It is found that LSPs in BLSO exhibit a high degree of spatial confinement compared to those sustained by noble metals and have relatively low losses and high quality factors with respect to other doped oxides. Further analysis clarifies the relation between plasmon damping and carrier mobility in BLSO. The results support the use of nanostructured degenerate semiconductors for plasmonic applications in the infrared region and establish a solid alternative to more traditional plasmonic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Simple thermal vapor deposition process for and characterization of n-type indium oxysulfide thin films

The search continues for alternative nontoxic n-type electron transport layers in optoelectronic thin-film devices. Indium oxysulfide, In 2 (O,S) 3 , represents one promising material for this application, especially when paired with chalcogenide absorber layers. The ternary nature of the composition allows for electrical conductivity and optical bandgap tuning by tailoring the sulfur to oxygen ratio in the oxysulfide alloy. However, thin films of In 2 (O,S) 3 are typically deposited only by chemical bath deposition or plasma-enhanced atomic layer deposition. Here we report deposition of thin films of In 2 (O,S) 3 in a custom-built thermal reactor using only water vapor and hydrogen sulfide as the coreactants. This advance is enabled by the use of a recently reported, highly reactive indium formamidinate precursor. As shown by x-ray photoelectron spectroscopy, the composition can be tuned from pure In 2 (O,S) 3 to pure In 2 S 3 by varying the ratio of cycles employing water or hydrogen sulfide. The oxygen to the sulfur ratio in the film can be controlled by altering the dose sequence, although films typically contain more sulfur than would be expected naively from the percentage of hydrogen sulfide doses in the deposition recipe. Rutherford backscattering spectrometry confirms the composition is sulfur-rich relative to the dosing ratio. Structural characterization indicates films are relatively amorphous in nature. Electrically, these films offer reasonably constant electron mobility at different O:S ratios, with an electron concentration tunable over 4 orders of magnitude. These oxysulfide films possess a higher indirect bandgap than their oxygen-free indium sulfide counterparts, indicating higher transmittance to blue light. These indium oxysulfide films may be suitable candidates for electron transport layers in thin-film solar cells where their wider bandgap might result in higher optical transparency and thus short circuit current density, while the tunability of their conduction band offset with an absorber layer may result in higher open circuit voltage.

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

High‐Performance Low‐Emissivity Paints Enabled by N‐Doped Poly(benzodifurandione) (n‐PBDF) for Energy‐Efficient Buildings

Abstract Low‐emissivity (low‐e) paints reduce radiative heat exchange between buildings and the environment, stabilizing indoor climates and lowering air conditioning demand. However, low‐cost, durable, and colored low‐e paints have yet to be demonstrated. Here, an approach is proposed using n‐doped poly(benzodifurandione) (n‐PBDF), a transparent organic conducting polymer, coated over colored commercial paints. This achieves a low thermal emissivity of 0.19 in the mid‐infrared spectrum, attributed to the efficient charge transport of delocalized π‐electrons in n‐PBDF structure. The reduction in thermal emissivity aids in regulating building temperatures by minimizing heat transfer between buildings and their surroundings across diverse climate zones and seasons. The n‐PBDF coating preserves the underlying paint's color due to its high visible transparency, meeting aesthetic requirements. It also shows strong stability in accelerated indoor weathering tests, ensuring long‐term performance. Simulations estimate annual HVAC energy savings of over 10,800 kWh in San Francisco and 5,500 kWh in Chicago for the typical mid‐rise apartments. The paint's versatility, scalability, and durability make it suitable for buildings, vehicles, and greenhouses, aiding urban heat island mitigation.

Liu, Xiaojie [School of Mechanical Engineering and↗
DOE OSTI2022

Fabrication of a Microcavity Prepared by Remote Epitaxy over Monolayer Molybdenum Disulfide

We report advances in epitaxy have enabled the preparation of high-quality material architectures consisting of incommensurate components. Remote epitaxy based on lattice transparency of atomically thin graphene has been intensively studied for cost-effective advanced device manufacturing and heterostructure formation. However, remote epitaxy on nongraphene two-dimensional (2D) materials has rarely been studied even though it has a broad and immediate impact on various disciplines, such as many-body physics and the design of advanced devices. Herein, we report remote epitaxy of ZnO on monolayer MoS 2 and the realization of a whispering-gallery-mode (WGM) cavity composed of a single crystalline ZnO nanorod and monolayer MoS 2 . Cross-sectional transmission electron microscopy and first-principles calculations revealed that the nongraphene 2D material interacted with overgrown and substrate layers and also exhibited lattice transparency. The WGM cavity embedding monolayer MoS 2 showed enhanced luminescence of MoS 2 and multimodal emission.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Calibration and Performance of the ICARUS Detector at Fermilab

ICARUS is the largest Liquid Argon Time Projection Chamber (LArTPC) in operation and serves as the Far Detector of the Short Baseline Neutrino (SBN) program at Fermilab. Precise detector calibration is essential for reliable energy reconstruction and for maximizing the physics reach of the experiment. In this talk, I will describe the energy and timing calibration procedures developed at ICARUS. Thanks to the abundant flux of cosmic ray muons at the surface, the TPC response to ionization charge has been equalized across the detector, removing non-uniformities and in-transparency effects. A novel data-driven procedure has been used to tune the simulation of ionization signals and electronics noise yielding close agreement between Monte Carlo and data with minimal residual bias in reconstructed charge. In addition, the light detection system has been calibrated to sub-nanosecond timing resolution. This precision enables efficient cosmic background rejection and accurate synchronization of neutrino interactions with the time structure of both the Booster Neutrino Beam (BNB) and Neutrinos at the Main Injector (NuMI) beam. Together, these efforts demonstrate the robust performance of the detector and provide critical experience for future large LArTPCs, such as DUNE.

Vicenzi, Matteo [Brookhaven]↗
DOE OSTI2021

Nuclear Transparency from Quasi-elastic ¹²C(e, e'p) scattering reaction up to Q2 = 14.2 (GeV/c)2 in Hall C at Jefferson Lab

Color Transparency (CT) is a unique prediction of Quantum Chromodynamics (QCD) where the final (and/or initial) state interactions of hadrons with the nuclear medium are suppressed for exclusive processes at high momentum transfers. While this phenomenon has been observed for mesons, there has never been a conclusive observation for baryons. A clear signal of CT for baryons would be the first evidence of baryons fluctuating to a small size in the nucleus, and the onset would show the transition from nucleon-meson picture to quark-gluon degrees of freedom. The experiment E1206107, searching for the onset of CT in protons was completed in Hall C at Jefferson Laboratory (JLab) using the upgraded 12 GeV e- beam. It used the High Momentum Spectrometer (HMS) and the new Super High Momentum spectrometer (SHMS) in coincidence to measure the e- + ¹²C ? e-' + p + X reaction in quasi-elastic kinematics. Data were collected on a ¹²C target over the range of Q2 = 8 - 14.3 (GeV/c)2, covering the region where a previous p + A ? p' + p + X experiment at Brookhaven National Laboratory (BNL) had observed an enhancement. Proton Transparency (PT) was extracted from these data. A rise in the PT as a function of Q2 (defined as the square of the negative of the 4-momentum transfer by the scattered electron) is predicted to be a signature of the onset of CT. Our data showed no significant increase and consistent with the traditional nuclear physics calculation. This dissertation discusses the theory and implementation of the CT experiment, summarizes the data analysis and presents results on hydrogen normalization and nuclear transparency.

Bhetuwal, Deepak↗
DOE OSTI2020

Dynamic pulse propagation modelling for predictive femtosecond-laser-microbonding of transparent materials

A dynamic pulse propagation modeling for femtosecond laser bonding of Borofloat glass is presented. The temperature evolution and internal modifications are predicted by incorporating the nonlinear electron dynamics along with temperature dependent thermal properties. The modelling predicts the spatial and temporal distribution of absorption coefficient and plasma density that gives quantitative estimations of the heat affected zone and weld geometry. The impact of focusing condition on heat affected zone and weld geometry is investigated, which for the first time to our knowledge allows to numerically determine the desired relative position between the geometrical focus of a femtosecond-laser-pulse and the interface of the two substrates to be welded. The prediction of the modelling on the offset distance is applied to weld Borofloat glass plates having optical contact and can be applied to other dielectric solids.

Sahoo, Pankaj K. (ORCID:0000000209437319)↗
DOE OSTI2025

Cracking in polymer substrates for flexible electronic devices and its mitigation

Mechanical reliability plays a critical role in determining the durability of flexible electronic devices because of the significant mechanical stresses they experience during manufacturing and operation. Many such devices are built on sheets comprising stiff transparent-conducting oxide (TCO) electrode films on compliant polymer substrates, and it is generally assumed that the high-toughness polymer substrates do not crack. Contrary to this assumption, here we show extensive cracking in the polymer substrates during bending of a variety of TCO/polymer sheets, and a device example — flexible perovskite solar cells. Such substrate cracking, which compromises the overall mechanical integrity of the entire device, is driven by the amplified stress-intensity factor caused by the elastic mismatch at the film/substrate interface. To mitigate this substrate cracking, an interlayer-engineering approach is designed and experimentally demonstrated. This approach is potentially applicable to myriad flexible electronic devices, with stiff films on compliant substrates, for improving their durability and reliability.

42 ENGINEERING↗
DOE OSTI2025

Autonomous platform for solution processing of electronic polymers

The manipulation of electronic polymers’ solid-state properties through processing is crucial in electronics and energy research. Yet, efficiently processing electronic polymer solutions into thin films with specific properties remains a formidable challenge. We introduce Polybot, an artificial intelligence (AI) driven automated material laboratory designed to autonomously explore processing pathways for achieving high-conductivity, low-defect electronic polymers films. Leveraging importance-guided Bayesian optimization, Polybot efficiently navigates a complex 7-dimensional processing space. In particular, the automated workflow and algorithms effectively explore the search space, mitigate biases, employ statistical methods to ensure data repeatability, and concurrently optimize multiple objectives with precision. The experimental campaign yields scale-up fabrication recipes, producing transparent conductive thin films with averaged conductivity exceeding 4500 S/cm. Feature importance analysis and morphological characterizations reveal key design factors. This work signifies a significant step towards transforming the manufacturing of electronic polymers, highlighting the potential of AI-driven automation in material science.

Wang, Chengshi [Argonne National Laboratory (ANL),↗
DOE OSTI2024

Particle accelerator spin-transparent storage rings for beyond state-of-the-art science

We describe spin-transparent storage rings that exhibit coherence times of many hours and store a large number of particles and their use in novel applications. For example, these rings can be used to directly measure the electric dipole moment of the electron, relevant to CP violation and matter-antimatter asymmetry in the universe, and to search for axion-mediated forces. These rings can also serve as a compelling platform for quantum computing. In particular, we will describe how spin-transparent rings can be used in conjunction with ion traps to enhance scalability and increase quantum-coherence times of ion quantum computing.

Suleiman, R.↗
DOE OSTI2021

In 2 O 3 -Ga 2 O 3 Alloys as Potential Buffer Layers in CdTe Thin-Film Solar Cells

The efficiency of state-of-the-art Cd Te solar cells remains limited by the relatively low open-circuit voltage (V OC ). Improving the front interface is key towards realizing a higher V OC after achieving the necessary bulk carrier density and lifetime. Recent efforts in identifying buffer layers beyond Cd S have focused on Mg x Zn 1-x O, which offers tunability of the band offsets, but often suffers from high interfacial defect densities. Ga 2 O 3 -based buffer layers demonstrate tremendous improvements in interfacial defect passivation in crystalline silicon and dye-sensitized solar cells, leading to record high V OC , yet remain largely unexplored in Cd Te-based devices. Here, we perform hybrid density-functional-theory calculations to investigate pure Ga 2 O 3 and InGaO 3 alloys as a window layer in Cd Te photovoltaics. We report calculated band offsets for several pairs of solid-solid interfaces comprising transparent conducting oxide (TCO) and Cd Te heterojunctions. The results support a large conduction band offset spike of 0.67 eV for the Cd Te/Ga 2 O 3 (100) interface, while the offset is reduced to 0.18 eV for the InGaO 3 alloy and matches closely with the preferred optimum value of 0.2 eV. Device-level modeling tests of Cd Te solar cells integrating our results indicate that the highest efficiency is achieved with InGaO 3 acting both as a buffer layer and TCO. Finally, our results suggest that alloys of In 2 O 3 and Ga 2 O 3 may be attractive alternatives to Mg x Zn 1-x O for tailoring optimal conduction-band offsets of the buffer and TCO layers in high-efficiency Cd Te thin-film solar cells.

14 SOLAR ENERGY↗
DOE OSTI2023

Observation of half-integer Shapiro steps in graphene Josephson junctions

We study quantum transport and AC Josephson effect of hexagonal boron nitride encapsulated graphene (BGB) Josephson junctions (JJs). Our experiments reveal the emergence of the half-integer Shapiro steps in the n-type regime with high electron carrier densities. We attribute this observation to the gate-tunable transmission probability of the graphene junction. Furthermore, our numerical simulations are consistent with the appearance of half-integer Shapiro steps at high transparency, which suggests a skewed current phase relationship in the graphene JJ.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Relativistically Induced Transparency in Plasma (Final Research Report)

The major goal of this project was to study the process of relativistic transparency in plasmas. This process occurs when a very high intensity laser pulse interacts with a plasma. The electric field of the laser oscillates the electron speeds approaching the speed of light, increasing the effective mass of the electrons by the time-averaged Lorentz factor <γ>. The increase in the effective mass alters the critical density, the density at which the plasma becomes opaque to the electromagnetic wave of the laser. This project used experiments and particle-in-cell simulations to study this process in ultra-thin foil interactions. Experiments were performed through the LaserNetUS program on the Ohio State University laser system Scarlet. The transmitted and reflected light was studied as a function of the target thickness, the near-field profiles, the total energy and pulse duration were measured. Particle-in-cell simulations, using the OSIRIS code were used to model the interaction and better understand the dynamics. The results of both show current relativistic transparency theory is insufficient to predict the results, this is likely because the theories do not account for the laser energy absorption into the target and global plasma fields.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗