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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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Why Perovskite Thermal Stress is Unaffected by Thin Contact Layers

Metal halide perovskite photovoltaics have emerged as a high efficiency, low-cost alternative that can potentially rival or enhance conventional silicon technology. Despite exceptional initial power conversion efficiencies, achieving compliance with international standards and widespread adoption requires further enhancements to their operational stability. Notably, addressing mechanical strain and stress in brittle perovskites has emerged as a pivotal approach to mitigate chemical degradation and improve reliability during thermal cycling. Here, in this study, a popularized strain engineering strategy is investigated in which a high coefficient of thermal expansion (CTE) hole transport layer (i.e., PDCBT) is cast onto inorganic perovskite (CsPbI 2 Br) at 100 °C. Contrary to previously published results, the X-ray diffraction (XRD):Sin 2 ψ and substrate curvature measurement techniques show that the hole transport layer has no discernible impact on perovskite strain. The accuracy of the XRD:Sin 2 ψ method for measuring strain is highlighted in contrast to an analysis based on shifts of single XRD peaks which can be influenced by multiple artifacts. The findings in this study are in accordance with mechanics theory: thin layers are unable to induce significant strain changes in perovskite thin films as the force they apply is negligible compared to that applied by a thick and stiff substrate.

14 SOLAR ENERGY↗
DOE OSTI2024

Effect of laminae count and manufacturing methods on mechanical properties of thin‐ply woven composites

Abstract Thin‐ply woven composites exhibit exceptional mechanical performance by delaying the onset of damage, making them suitable for high‐performance structural applications. This study outlines the impact of manufacturing techniques (vacuum bagging and hot pressing), ply count, and fiber waviness on the mechanical properties of aromatic thermosetting copolyester/carbon‐fiber (ATSP/CF) composites. The analysis encompasses several different ply counts, evaluating their effects on the in‐plane elastic modulus (0°–90°) and tensile strength. Results demonstrate that reducing the waviness (or crimp) ratio significantly enhances the in‐plane elastic modulus, with improvements up to 188%, highlighting the importance of fiber alignment. Vacuum bagging produced ply thicknesses from 128 to 58 μm for 1–36 plies, with in‐plane elastic moduli from 30.3 to 87.2 GPa, and 4‐ and 8‐ply samples showed approximately 40% higher stiffness than those made by hot pressing. ATSP resin with high thermal stability (up to 400°C) and recyclability was used. Furthermore, this study highlights the microstructural enhancements achieved through vacuum bagging, as revealed by scanning electron and optical microscopy, and micro‐computed tomography imaging. This paper provides insights into damage mitigation and achieving enhanced mechanical properties by controlling fiber waviness using vacuum bagging and higher ply count in thin‐ply ATSP/CF composites. Highlights Crimp ratio reduction enhances elastic in‐plane elastic modulus up to 188%. Vacuum bagging increases modulus over the hot pressing manufacturing method by 40%. Lowering thickness‐per‐ply increases failure strain from 0.8% to 1.2%. Explored the performance of a novel ATSP matrix with high recyclability and thermal stability.

Kushwaha, Shashank [The Grainger College of Engine↗
DOE OSTI2021

Effect of hydration on morphology of thin phosphonate block copolymer electrolyte membranes studied by electron tomography

The morphological changes of phosphonate polypeptoid electrolyte membranes, poly-N-(2-ethyl)hexylglycine-block-poly-N-phosphonomethylglycine (pNeh m -b-pNpm n ), in hydrated and dry states were characterized by cryogenic transmission electron microscopy (cryo-TEM) and cryogenic electron tomography (cryo-ET). The analysis of 3D tomograms revealed that the pNeh 9 -b-pNpm 9 thin films absorbed a large amount of water, resulting in the formation of membranes that were nearly flat and giant multicompartment vesicles dispersed in the water phase. A simple lamellar phase appeared when the films were dried. In contrast, pNeh 18 -b-pNpm 18 thin films absorbed little water and formed small highly curved unilamellar and multilamellar vesicles. Water was located mainly outside the closely-packed vesicles. When water was removed by drying, the walls of adjacent vesicles collapsed to form honeycomb-like capsules. Here, the changes in domain size reflected changes in chain conformations. The pNpm9 blocks were saturated by water and fully extended, while pNpm 18 blocks were neither saturated by water nor fully extended. In addition, the thicknesses of hydrophobic blocks in the hydrated films of both pNeh 9 -b-pNpm 9 and pNeh 18 -b-pNpm 18 were smaller than those in the dry films, reflecting an increase of the average distance between the neighboring junctions of polypeptoid molecules.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Materials Studies of Niobium Thin Films for Quantum Circuit Applications: Progress and Challenges

Niobium (Nb) films have emerged as a crucial material in the development of superconducting qubits, which are key components in quantum computing technology. Here, this review provides a comprehensive examination of Nb films from a materials perspective, focusing on their intrinsic properties, fabrication methods/techniques, and their influence on qubit performance, particularly through surface and interface driven loss mechanisms. We discuss the key material properties that are essential for qubit operation. Various deposition techniques for Nb thin films, such as sputtering, evaporation, molecular beam epitaxy, and atomic layer deposition, are explored, alongside their impact on film quality, uniformity, and qubit performance. Additionally, the influence of surface roughness, thin-film thickness, and substrate materials on quantum coherence is analyzed. Challenges such as defects and material degradation in Nb films are reviewed, along with strategies to mitigate these issues. Finally, we present the latest advancements and future directions in Nb film research, including potential improvements to enhance qubit coherence and scalability for large-scale quantum computing systems. Ultimately, a deeper understanding of surface and interface phenomena is essential for pushing the limits of qubit performance and realizing next-generation quantum technologies.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Revealing Nanoscale Chemical Heterogeneities in Polycrystalline Mo-BiVO 4 Thin Films

The activity of polycrystalline thin film photoelectrodes is impacted by local variations of the material properties due to the exposure of different crystal facets and the presence of grain/domain boundaries. Here a multi-modal approach is applied to correlate nanoscale heterogeneities in chemical composition and electronic structure with nanoscale morphology in polycrystalline Mo-BiVO 4 . By using scanning transmission X-ray microscopy, the characteristic structure of polycrystalline film is used to disentangle the different X-ray absorption spectra corresponding to grain centers and grain boundaries. Comparing both spectra reveals phase segregation of V 2 O 5 at grain boundaries of Mo-BiVO 4 thin films, which is further supported by X-ray photoelectron spectroscopy and many-body density functional theory calculations. Theoretical calculations also enable to predict the X-ray absorption spectral fingerprint of polarons in Mo-BiVO 4 . After photo-electrochemical operation, the degraded Mo-BiVO 4 films show similar grain center and grain boundary spectra indicating V 2 O 5 dissolution in the course of the reaction. Overall, these findings provide valuable insights into the degradation mechanism and the impact of material heterogeneities on the material performance and stability of polycrystalline photoelectrodes.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Scale-Enhanced Magnetism in Exfoliated Atomically Thin Magnetite Sheets

The discovery of ferromagnetism in atomically thin layers at room temperature widens the prospects of 2D materials for device applications. Recently, two independent experiments demonstrated magnetic ordering in two dissimilar 2D systems, CrI 3 and Cr 2 Ge 2 Te 6 , at low temperatures and in VSe 2 at room temperature, but observation of intrinsic room-temperature magnetism in 2D materials is still a challenge. Here a transition at room temperature that increases the magnetization in magnetite while thinning down the bulk material to a few atom-thick sheets is reported. DC magnetization measurements prove ferrimagnetic ordering with increased magnetization and density functional theory calculations ascribe their origin to the low dimensionality of the magnetite layers. Additionally, surface energy calculations for different cleavage planes in passivated magnetite crystal agree with the experimental observations of obtaining 2D sheets from non-van der Waals crystals.

2D Magnetism↗
DOE OSTI2024

Elucidating Structural Disorder in Ultra‐Thin Bi‐Rich Bismuth Oxyhalide Photocatalysts

Abstract Advancing the field of photocatalysis requires the elucidation of structural properties that underpin the photocatalytic properties of promising materials. The focus of the present study is layered, Bi‐rich bismuth oxyhalides, which are widely studied for photocatalytic applications yet poorly structurally understood, due to high levels of disorder, nano‐sized domains, and the large number of structurally similar compounds. By connecting insights from multiple scattering techniques, utilizing electron‐, X‐ray‐ and neutron probes, the crystal phase of the synthesized materials is allocated as layered Bi 24 O 31 X 10 (X = Cl, Br), albeit with significant deviation from the reported 3D crystalline model. The materials comprise anisotropic platelet‐shaped crystalline domains, exhibiting significant in‐plane ordering in two dimensions but disorder and an ultra‐thin morphology in the layer stacking direction. Increased synthesis pH tailored larger, more ordered crystalline domains, leading to longer excited state lifetimes determined via femtosecond transient absorption spectroscopy (fs‐TAS). Although this likely contributes to improved photocatalytic properties, assessed via the photooxidation of benzylamine, increasing the overall surface area facilitated the most significant improvement in photocatalytic performance. This study, therefore, enabled both phase allocation and a nuanced discussion of the structure‐property relationship for complicated, ultra‐thin photocatalysts.

Chemistry↗
DOE OSTI2026

Forming Gas Annealing Improves the Performance of Ex Situ Sb-Doped CdSeTe Thin-Film Solar Cells

Group V doping in cadmium-selenide-telluride (CdSeTe) polycrystalline thin-film solar cells has demonstrated improved power conversion efficiencies (PCEs) and long-term stabilities as compared to the traditional Cu doping in the last decade. The dopants can be successfully incorporated by either in situ or ex situ doping. Here, we report that forming gas (FG) annealing enhances the efficiencies of CdSeTe polycrystalline thin-film solar cells utilizing ex situ antimony (Sb) doping via close-space sublimation of SbCl3 at ambient pressure. The FG annealing increases the hole density and carrier lifetime, reduces the back barrier height, and, therefore, leads to improved open-circuit voltages (VOCs) and fill factors (FFs). The champion device achieves a PCE of 19.2% with a VOC of 877 mV, a current density (JSC) of 30.2 mA/cm2, and an FF of 72.4%. Importantly, the Sb-doped devices showed improved stability under stress tests as compared to Cu-doped devices.

14 SOLAR ENERGY↗
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

Plasticity-mediated deformation instabilities in thin film-compliant substrate systems: direct three-dimensional simulations

Abstract Surface wrinkles driven by mechanical instability commonly form in thin-film structures attached to a compliant substrate. In this study, a recently developed computational approach is employed to simulate the formation and transformation of wrinkles involving plastic yielding of the thin film. The three-dimensional (3D) finite element models contain an embedded imperfection at the film-substrate interface, serving to trigger the bifurcation modes. Successful application of this technique to allow for film plasticity is demonstrated, including the evolution of 3D surface patterns and their correlation with the overall load–displacement response. The simulations reveal that plastic yielding transforms the surface instability patterns into more localized forms. Under uniaxial loading, the sinusoidal elastic wrinkles undergo the wrinkle-to-fold transition. With equi-biaxial loading, the initial square-checkerboard array turns into continuous tall ridges along the 45° directions. In both loading modes, the plasticity-induced instability patterns are only partially relieved upon unloading, leaving permanent features on the surface.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Investigation of Molecular Diffusion at Block Copolymer Thin Films Using Maximum Entropy Method-Based Fluorescence Correlation Spectroscopy and Single Molecule Tracking

Fluorescence correlation spectroscopy (FCS) has been widely used to investigate molecular diffusion behavior in various samples. The use of the maximum entropy method (MEM) for FCS data analysis provides a unique means to determine multiple distinct diffusion coefficients without a priori assumption of their number. Comparison of the MEM-based FCS method (MEM-FCS) with another method will reveal its utility and advantage as an analytical tool to investigate diffusion dynamics. Herein, we measured diffusion of fluorescent probes doped into nanostructured thin films using MEM-FCS, and validated the results with single molecule tracking (SMT) data. The efficacy of the MEM code employed was first demonstrated by analyzing simulated FCS data for systems incorporating one and two diffusion modes with broadly distributed diffusion coefficients. The MEM analysis accurately afforded the number of distinct diffusion modes and their mean diffusion coefficients. These results contrasted with those obtained by fitting the simulated data to conventional two-component and anomalous diffusion models, which yielded inaccurate estimates of the diffusion coefficients. Subsequently, the MEM analysis was applied to FCS data acquired from hydrophilic dye molecules incorporated into microphase-separated polystyrene-block-poly(ethylene oxide) (PS-b-PEO) thin films characterized under a water-saturated nitrogen atmosphere. The MEM analysis revealed distinct fast and slow diffusion components attributable to molecules diffusing on the film surface and inside the film, respectively. SMT studies of the same materials yielded trajectories for mobile molecules that appear to follow the curved PEO microdomains. Diffusion coefficients obtained from the SMT data were consistent with those obtained for the slow diffusion component detected by MEM-FCS. Furthermore, these results highlight the utility of MEM-FCS and SMT for gaining complementary information on molecular diffusion processes in heterogeneous material systems.

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

Assessing factors that determine adatom migration and clustering on a thin film oxide; Pt 1 and Rh 1 on the “29” Cu x O/Cu(1 1 1) surface

The dynamical nature of single-site catalysts under non-equilibrium conditions poses significant challenges in the full characterization of their active sites. The “29” oxide is a thin Cu x O film grown on Cu(111) which provides a well-defined surface on which to study the structure and chemistry of atomically dispersed precious metals. A combination of experimental and first-principles approaches is used to investigate the factors that influence the mobility of metal adatoms and their clustering tendencies. Our work elucidates how a homogenous coordination environment of neutral single-atoms can be obtained when its tendency to break oxide bonds within its vicinity is low. Herein we demonstrate that this in turn affects the chemical atomically dispersed species on thin-film oxides, as defects on the oxide would in fact allow such species to be more accessible to CO. We thus highlight the importance of understanding the relationship between defects and atomically dispersed active sites upon designing single-site catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Binder-free thin graphite fiber mat sandwich electrode architectures for energy-efficient vanadium redox flow batteries

Vanadium redox flow batteries (VRFB) are emerging as the preferred energy storage solution for long-duration energy storage (LDES) and grid-scale load levelling. In this study, we report a novel binder-free sandwich electrode architecture consisting of a thin layer (6–12 mg cm –2 ) of thermally activated graphite felt mat (TGFM) sandwiched between thin carbon papers (TCP-TGFM-TCP). This electrode architecture substantially reduced the polarization (I-V) resistance of the VRFB by 23 %, resulting in a current density increase from 340 mA cm –2 at 1 V for the thermally activated graphite felt (TGF) electrode to 470 mA cm –2 at 1 V, and an energy efficiency of 80 % at 100 mA cm –2 is realized.

25 ENERGY STORAGE↗
DOE OSTI2020

Synthesis of nickel selenide thin films for high performance all-solid-state asymmetric supercapacitors

As a significant semiconductor, nickel selenide shows enormous potential and extensive application prospects in the field of sensor, photocatalysis and supercapacitor. In this paper, nickel selenide (Ni 3 Se 2 , NiSe) thin films were successfully fabricated on stainless-steel sheet using a facile, effective electrodeposition technique. The morphologies, microstructures and chemical compositions of the thin films are characterized systematically. Electrochemical tests exhibit that the Ni3Se2 and NiSe possess high specific capacitance of 581.1 F/g and 1644.7 F/g, respectively. A flexible, all-solid-state asymmetric supercapacitor is assembled by utilizing NiSe film as positive electrode and activated carbon as negative electrode. The solid device delivers a high areal capacitance of 27.0 mF/cm 2 at the current density of 0.7 mA/cm 2 . Furthermore, the maximum volumetric energy density and power density of the NiSe//AC asymmetric SCs can achieve 0.26 mWh/cm 3 and 33.35 mW/cm 3 , respectively. The device shows robust cycling stability with 84.6% capacitance retention after 10000 cycles, outstanding flexibility and satisfactory mechanical stability. Moreover, two devices in series can light up a red light-emitting diode, which displayed great potential applications for energy storage.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Scalable thin graphene oxide membranes enabled by polydopamine gutter layer

Two-dimensional (2D) nanosheets have been widely used to fabricate thin-film composite membranes for dye desalination. However, they often need to be thick to mitigate the defects resulting from their random stacking and rough support surface. Herein, bio-adhesive polydopamine (PDA) is used as a gutter layer to prepare graphene oxide (GO)-based membranes by improving the adhesion between the GO and porous support and providing a smooth surface to form thin, highly selective layers. For example, the PDA priming reduces the GO layer thickness by 57 %, from 447 to 190 nm, while achieving similar dye desalination properties. The effect of the dopamine concentration, exposure time, and GO layer thickness on the membrane structure and desalination performance are thoroughly investigated using various techniques, such as scanning electron microscopy (SEM), x-ray photoelectron spectroscopy (XPS), and x-ray diffraction (XRD). The PDA gutter layer is also applied for hollow fiber membranes, achieving water permeance of 79 L m -2 h −1 bar−1 and rejection of ∼99 % for Direct red 80. The membranes were challenged by simulated dye/salt mixtures to elucidate the complicated effect of the compositions on the desalination performance. Furthermore, this study unveils a new avenue to improve separation performance and large-scale manufacturability of 2D material-based membranes.

Dye desalination↗
DOE OSTI2023

Correcting distortions of thin-walled machined parts by machine hammer peening

Thin-walled aerostructural components frequently get distorted after the machining process. Reworking to correct distortions or eventually rejecting parts significantly increases the cost. This paper proposes a new approach to correct distortions in thin-walled components by strategically applying hammer peening on target surfaces of a machined component. Aluminium alloy 7475-T7351 was chosen for this research. The study was divided in two stages. First, the residual stresses (RS) induced by four different pneumatic hammer peening conditions (modifying the stepover distance and initial offset) were characterised in a test coupon, and one of the conditions was selected for the next stage. In the second stage, a FEM model was used to predict distortions caused by machining in a representative workpiece. Then, the RS induced by hammer peening were included in an FEM model to define two hammer peening strategies (varying the coverage area) to analyse the capability to reduce distortions. Two workpieces were machined and then treated with the simulated hammer peening strategies for experimental validation. Results in the test coupon showed that pneumatic hammer peening can generate high compressive RS (-50 to –350 MPa) up to 800 μm depth, with their magnitude increasing with a reduced stepover distance. Application of hammer peening over 4% of the surface of the representative workpiece reduced the machining-induced distortions by 37%, and a coverage area of 100% led to and overcorrection by a factor of five. This confirms that hammer peening can be strategically applied (in target areas and changing the percentage of coverage) to correct low or severe distortions.

42 ENGINEERING↗
DOE OSTI2021

Electrochemical stability, physical, and electronic properties of thermally pre-formed oxide compared to artificially sputtered oxide on Fe thin films in aqueous chloride

Here the electrochemical stability and corrosion behavior of the thermally pre-oxidized and sputter deposited variant of an oxide single-crystalline Fe thin film were compared. Thermal oxides formed Fe 2 O 3 over an inner layer of Fe 3 O 4 while the sputtered oxides were found to have grown Fe 3 O 4 instead of the target stoichiometry of Fe 2 O 3 . Oxide films of both types were stable in pH=9.3 borate buffer solution, however, were altered in pH=9.3, 0.1 M NaCl solution in the case of thermally pre-oxidized Fe thin film. The stability of the oxide differed in pH=4, 0.1 M NaCl where sputtered Fe films were more stable against acidic chemical dissolution than the thermally formed Fe oxide film. These differences were traced by AC/DC electrochemical analysis including electronic defect densities, and molecular identity characterized by ex-situ X-ray photoelectron spectroscopy.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

A three-dimensional interconnected polymer/ceramic composite as a thin film solid electrolyte

In this work we introduce an approach to fabricate a solid composite electrolyte film that is thin, ionically conductive, and mechanically robust with good potential for manufacturability, in the application of lithium metal batteries. First a doped-lithium aluminum titanium phosphate ceramic thin film with thickness of ~25 μm is formed by aqueous spray coating, a scalable process. The film is partially sintered to form a three-dimensionally interconnected structure with a dense backbone. It is then backfilled with a crosslinkable poly(ethylene oxide) (PEO)-based polymer electrolyte. We report the composite has very high ceramic loading of 77 wt% (61 vol%) and an ionic conductivity of 3.5 × 10 -5 S/cm at 20 °C with an activation energy of 0.43 eV. The main ion transport pathway is through the ceramic network, predicted by modelling and verified by experiments. Owing to the interconnected structure of the ceramic, the composite electrolyte exhibits much improved mechanical strength.

25 ENERGY STORAGE↗