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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 847 records · Page 47
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

The Effects of Morphology and Hydration on Anion Transport in Self-Assembled Nanoporous Membranes

Ordered nanoporous polymer membranes offer opportunities for systematically probing the mechanisms of ion transport under confinement and for realizing useful materials for electrochemical devices. Here, we examine the impact of morphology and ion hydration on the transport of hydroxide and bromide anions in nanostructured polymer membranes with 1 nm scale pores. We use aqueous lyotropic self-assembly of an amphiphilic monomer, with a polymerizable surfactant to create direct hexagonal (H I ) and gyroid mesophases. UV-induced cross-linking leads to the formation of nanoporous polymers with water continuous channels. The membranes are mechanically robust and chemically durable, resisting degradation during extended exposure to 1 M NaOH solutions. We use a combination of electrochemical impedance spectroscopy, pulsed-field gradient NMR spectroscopy, and molecular simulations to elucidate anion and water transport. The as-prepared hexagonal systems display higher conductivity and lower activation energies for both anions relative to the gyroid system. When compared at equivalent hydration, however, gyroid and hexagonal membranes show similar activation energies, with nearly identical conductivities at ambient temperatures. Both ionic conductivity and water diffusivity increase with increasing hydration. Here, the water uptake as a function of relative humidity for the hexagonal and gyroid mesophases ultimately dictates the water diffusion and magnitude of the ionic conductivity, with the hexagonal system showing overall higher capacity for hydration and thus faster ion transport. The durability of these materials under aggressive alkaline conditions and their relatively high hydroxide ion conductivity suggest that these nanostructured polymers could be of interest as membranes for alkaline fuel cells.

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

MxRAM (Final Report)

Sandia National Labs will provide Technical Assistance and consulting to Requester on a series of Requester’s test structures and devices to characterize and aid in the determination of optimal fabrication parameters via fabrication of functional test structures and cells. Working with previously established processes and test die modules, Sandia will construct a series of test chips with varying materials properties to allow the electrical characterization and component testing of Requester’s test structures and devices. Material variations will be selected for optimization of yield and desired target operation parameters. A deliverable in the form of a report will be written. Sandia intends to deliver testable die to the Requester.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Transient computational and experimental thermal analysis of graphite foam monoblock

A densified graphite foam is being explored for its applicability as plasma-facing material in fusion devices. Three different graphite foam monoblocks are constructed and tested in the Garching Large Divertor Sample Testing Facility. The monoblock samples consist of graphite foam press-fit to a single tube, graphite foam cubes brazed to a single, and graphite foam cubes press-fit to a single tube. The tube is composed of CuCrZr with a steel twisted tape. The monoblocks are exposed to the heat fluxes of 5, 6, and 8 MW/m 2 for 30 s to determine the maximum surface and body temperatures measured with thermocouple for each monoblock design. The press-fit monoblocks are exposed to 8 MW/m 2 for 15 s for 100 cycles to determine the effect of thermal cycling on the contact between the graphite foam and the tube. STAR-CCM+ is used to predict how much the contact between the foam and tubes varies as a result of thermal cycling. In addition, the 6 MW/m 2 loading is modeled in STAR-CCM+ to compare the transient cooldown curves of the computational results to the recorded temperatures at the surface and two different thermocouple locations. This comparison is used to validate the temperature-dependent thermal conductivity and specific heat capacity used in the models of the graphite foam. The computational modeling of the experiment has been used to hypothesize ways to use and improve upon the graphite foam as a suitable material for fusion applications.

Gehrig, Monica↗
DOE OSTI2025

ZnGa 2 Te 4 thin-film absorbers for photoelectrochemical CO 2 reduction

Photoelectrochemical (PEC) carbon dioxide reduction reaction (CO 2 RR) has been considered as a promising route to convert and store solar energy into chemical fuels. It is crucial to find suitable photoelectrode materials that are photo-catalytically active and exhibit excellent photochemical stability. One of the promising contenders is ZnTe with the ∼2.26 eV band gap and prolonged stability under CO 2 RR PEC conditions. Herein, a new telluride based thin-film ZnGa 2 Te 4 photocathode with lower band gap and stronger visible light absorption compared to ZnTe is synthesized and characterized using a combinatorial sputtering technique. A two-step annealing method with excess Te supply is implemented to synthesize nearly stoichiometric ZnGa 2 Te 4 absorber material with a zincblende-derived tetragonal crystal structure confirmed by synchrotron X-ray and electron diffraction. Theoretical calculations show that ZnGa 2 Te 4 has suitable direct bandgap (∼1.86 eV) and high absorption coefficient ∼10 5 cm −1 , in agreement with experimentally prepared films. Transient absorption spectroscopy reveals the biexponential decay dynamics, with time constants, τ 1 ∼ 0.04, and τ 2 ∼ 0.65 μs in microsecond time scales and provides the optical transition pathways for this semiconductor thin film. PEC measurements show that the ZnGa 2 Te 4 photocurrent densities are comparable to the widely investigated ZnTe photocathodes or even surpass it under simulated sunlight condition. ZnGa 2 Te 4 samples demonstrate promising photoelectrochemical stability, maintaining consistent performance under illumination. The inclusion of diaryliodonium additive substantially increases its CO 2 RR selectivity to ∼60%. These findings open a new avenue for the synthesis of telluride-based thin-film photocathodes for further exploration and will motivate future research to integrate this potential photocathode material into PEC devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Pushing the limits of NAND technology scaling with ferroelectrics

Artificial intelligence (AI) continues to drive transformative advancements across various industries. The data-intensive nature of AI training (and inferencing) has resulted in the generation of unprecedented volumes of data with machine-generated content surpassing human-generated data by more than 100-fold in 2025. Efficiently managing this data influx necessitates advanced digital storage technologies. However, traditional NAND flash memory, which is critical for supporting data flows in AI systems—alongside high-bandwidth memory, for AI training—faces fundamental scaling limitations as it approaches the 1000-layer milestone, encompassing more than 40 trillion transistors. This article delves into the potential of hafnia-based ferroelectric materials as a breakthrough solution to these challenges. Recent advancements indicate that the intrinsic limitations of ferroelectric field-effect transistors (FEFETs) can be mitigated through material and device-level engineering. These advancements enable FEFETs to meet the stringent density, reliability, and scalability requirements of future three-dimensional NAND technology. The role of ferroelectrics in addressing NAND scaling challenges and expanding storage capabilities presents a promising avenue for meeting the storage demands of the AI-driven era.

3D NAND↗
DOE OSTI2021

Thickness-independent transport in thin (001)-oriented cadmium arsenide films

The three-dimensional Dirac semimetal is a parent phase for a variety of topological phases that can be generated by tuning parameters in material growth or device operation. Notably, it has recently been found that cadmium arsenide, which is ordinarily a three-dimensional Dirac semimetal, can nevertheless realize a three-dimensional topological insulator in (001)-oriented films about 50-nm thick. In this work, we study the quantum Hall effect in thin (001)-oriented cadmium arsenide films, their thickness ranging from 12 to 24 nm. When the carrier density is kept approximately constant across the different films, quantum transport reveals an identical underlying picture. The result is shown to be consistent with the transport's origin in the surface states of a three-dimensional topological insulator, but problematic for a perspective in which the quantum Hall effect originates from the confined subbands of the bulk band structure. As a result, these thin-film results complement previous studies of the quantum Hall effect in 50-nm-thick films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Additive Manufacturing of Poly(phenylene Sulfide) Aerogels via Simultaneous Material Extrusion and Thermally Induced Phase Separation

Abstract Additive manufacturing (AM) of aerogels increases the achievable geometric complexity, and affords fabrication of hierarchically porous structures. In this work, a custom heated material extrusion (MEX) device prints aerogels of poly(phenylene sulfide) (PPS), an engineering thermoplastic, via in situ thermally induced phase separation (TIPS). First, pre‐prepared solid gel inks are dissolved at high temperatures in the heated extruder barrel to form a homogeneous polymer solution. Solutions are then extruded onto a room‐temperature substrate, where printed roads maintain their bead shape and rapidly solidify via TIPS, thus enabling layer‐wise MEX AM. Printed gels are converted to aerogels via postprocessing solvent exchange and freeze‐drying. This work explores the effect of ink composition on printed aerogel morphology and thermomechanical properties. Scanning electron microscopy micrographs reveal complex hierarchical microstructures that are compositionally dependent. Printed aerogels demonstrate tailorable porosities (50.0–74.8%) and densities (0.345–0.684 g cm −3 ), which align well with cast aerogel analogs. Differential scanning calorimetry thermograms indicate printed aerogels are highly crystalline (≈43%), suggesting that printing does not inhibit the solidification process occurring during TIPS (polymer crystallization). Uniaxial compression testing reveals that compositionally dependent microstructure governs aerogel mechanical behavior, with compressive moduli ranging from 33.0 to 106.5 MPa.

Chemistry↗
DOE OSTI2021

The Effect of Material Properties on Oxygen Evolution Activity and Assessing Half-Cell Screening as a Predictive Tool in Electrolysis

Iridium-based oxygen evolution catalysts are screened in this study for activity and stability with rotating disk electrode (RDE) half-cells. This study focuses on the electrochemical and materials approaches needed to characterize oxygen evolution catalysts, and include testing for activity, stability, composition, oxide content, and structure. Findings also discuss recommendations for data interpretation and detail the difficulties of comparing catalysts across materials sets with different elemental and oxide compositions, and linking RDE activity to device-level performance. The materials evaluated are a mixture of oxides and metals, and several methods are used to quantify metal content, qualitatively assess oxide content, and determine total surface area. Oxygen evolution activities and stabilities are compared, where a wide range of results are reported. In general, higher RDE performances are found for catalysts that contained larger amounts of ruthenium and metals. Higher durability, however, is found for catalysts that only contained iridium and a higher proportion of oxides. Additionally, catalysts are evaluated for performance in membrane electrode assemblies to assess RDE as a predictive tool in electrolysis. While activity trends within individual material sets generally held between ex- and in-situ testing, RDE tends to overestimate the activity of more metallic catalysts when compared to device-level performance. These results stress the need for multiple metal/oxide baselines for mixed catalysts, to better project in-situ kinetics.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Computational synthesis of a new generation of 2D-based perovskite quantum materials

Perovskite-based optoelectronic devices have emerged as a promising energy source due to their potential for scalable production. This study introduces “perovskene,” a novel class of 2D materials derived from the ABC3-like perovskites, synthesized via a data-driven, high-throughput computational strategy. We harness machine learning and multitarget deep neural networks to systematically investigate the structure–property relations, paving the way for targeted material design and optimization in fields such as renewable energy, electronics, and catalysis. The characterization of over 1500 synthesized structures shows that more than 500 structures are stable, revealing properties such as ultra-low work function and large magnetic moment, underscoring the potential for advanced technological applications.

2D materials↗
DOE OSTI2020

In situ TEM study of crystallization and chemical changes in an oxidized uncapped Ge 2 Sb 2 Te 5 film

Ge 2 Sb 2 Te 5 (GST-225) has been the most used active material in nonvolatile phase-change memory devices. Understanding the kinetics and dynamics involved in crystallization is critical for the optimization of materials and devices. A GST-225 thin film of 20 nm thickness was prepared by sputtering directly onto a Protochip and left uncapped and exposed to atmosphere for approximately 1 year. Here, early stages of crystallization and growth of the film have been studied inside the TEM from room temperature to 140 °C. The morphological and structural transformations have been studied by a C s -corrected environmental TEM, and images have been recorded using a high-speed low electron dose camera (Gatan K3 IS). The amorphous to crystalline transformation has been observed at ~35 °C. From the large field, high-resolution images obtained using the Gatan K3 IS camera early crystallization can be detected and nucleation rates and growth velocities can be obtained.

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

Determining the Electronic Structure and Thermoelectric Properties of MoS 2 /MoSe 2 Type‐I Heterojunction by DFT and the Landauer Approach

Abstract The electronic structure and thermoelectric properties of MoX 2 (X = S, Se) Van der Waals heterojunctions are reported, with the intention of motivating the design of electronic devices using such materials. Calculations indicate the proposed heterojunctions are thermodynamically stable and present a band gap reduction from 1.8 eV to 0.8 eV. The latter effect is highly related to interactions between metallic d‐character orbitals and chalcogen p‐character orbitals. The theoretical approach allows to predict a transition from semiconducting to semi‐metallic behavior. The band alignment indicates a type‐I heterojunction and band offsets of 0.2 eV. Transport properties show clear n‐type nature and a high Seebeck coefficient at 300 K, along with conductivity values (σ/τ) in the order of 10 20 . Lastly, using the Landauer approach and ballistic transport, the proposed heterojunctions can be modeled as a channel material for a typical one‐gate transistor configuration predicting subthreshold values of ≈60 mV dec −1 and field–effect mobilities of ≈160 cm −2 V −1 s −1 .

López‐Galán, Oscar A.↗
DOE OSTI2020

Novel color center platforms enabling fundamental scientific discovery

Abstract Color centers are versatile systems that generate quantum light, sense magnetic fields and produce spin‐photon entanglement. We review how these properties have pushed the limits of fundamental knowledge in a variety of scientific disciplines, from rejecting local‐realistic theories to sensing superconducting phase transitions. In the light of recent progress in material processing and device fabrication, we identify new opportunities for interdisciplinary fundamental discoveries in physics and geochemistry. image

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2025

Microscale Metal Additive Manufacturing by Solid‐State Impact Bonding of Shaped Thin Films

The deposition of device-grade inorganic materials is one key challenge toward the implementation of additive manufacturing (AM) in microfabrication, and to that end, a broad range of physico-chemical principles has been explored for 3D fabrication with micro- and nanoscale resolution. Yet, for metals, a process that achieves material quality rivalling that of established thin-film deposition methods, and at the same time, has the potential to combine high throughput production with a broad palette of processable materials, is still lacking. Here, the kinetic, solid-state bonding of metal thin films for the additive assembly of high-purity, high-density metals with micrometer-scale precision is introduced. Indirect laser ablation accelerates micrometer-thick gold films to hundreds of meters per second without their heating or ablation. Their subsequent impact on the substrate above a critical velocity forms a permanent, metallic bond in the solid state. Stacked layers are of high density (>99%). By defining thin-film layers with established lithographic methods prior to launch, a variable feature size (2–50 µm), arbitrary shape of bonded layers, and parallel transfer of up to 36 independent film units in a single shot, is demonstrated. Thus, the solid-state kinetic bonding principle as a viable and potentially versatile route for micro-scale AM of metals is established.

3D printing↗
DOE OSTI2020

Modulating Energy Level on an A‐D‐A′‐D‐A‐Type Unfused Acceptor by a Benzothiadiazole Core Enables Organic Solar Cells with Simple Procedure and High Performance

Unfused‐ring acceptors (UFAs) have gained considerable research attention as they offer simple chemical structures through simplified synthesis methods, which would boost the commercialization of organic solar cells (OSCs). Recently, a new small molecule acceptor (SMA) named Y6 was reported, yielding high‐performance OSCs. Herein, the Y6‐like A‐DA′D‐A framework is developed to A‐D‐A′‐D‐A‐type backbone adopted in constructing UFAs. Two new Y6‐like UFAs are synthesized within four steps and the effect of noncovalent atoms at the central electron‐deficient core on material properties and device performances is studied. It is found that the introduction of fluorine atoms can bring larger red‐shift in the absorption spectra and better aggregation of the resulting UFA film states compared with those of oxygen atoms. Interestingly, the variations in the noncovalent interaction atoms induce different intermolecular charge transfer between donors and UFAs. When blended with another economical donor, PTQ10, F substitution at the benzothiadiazole ring is more effective than O substitution, leading to the increased short‐circuit current density ( J SC ) and higher efficiency of over 12%, among the best performances of UFA‐based OSCs. This contribution demonstrates the appropriate introduction of noncovalent interaction is a promising method for tuning energy levels, absorption, and aggregation of UFAs for high‐performance OSCs.

Yu, Han↗
DOE OSTI2025

Revealing the Crystallization Pathways of Mixed‐Halide Low‐Dimensional Perovskites: A First Step Toward Solar Cell Applications

Ruddlesden–Popper perovskites (RPPs) are promising materials for optoelectronic devices. While iodide‐based RPPs are well‐studied, the crystallization of mixed‐halide RPPs remains less explored. Understanding the factors affecting their formation and crystallization are vital for optimizing morphology, phase purity, and orientation, which directly impact device performance. Here, we investigate the crystallization and properties of mixed‐halide RPPs (PEA) 2 FA n−1 Pb n (Br 1/3 I 2/3 ) 3n + 1 (PEA = C 6 H 5 (CH 2 ) 2 NH 3 + and FA = CH(NH 2 ) 2 + ) (n = 1, 5, 10) using DMSO ((CH 3 ) 2 SO) or NMP (OC 4 H 6 NCH 3 ) as cosolvents and MACl (MA = CH 3 NH 3 + ) as an additive. For the first time, the presence of planar defects in RPPs is directly observed by in situ grazing‐incidence wide‐angle X‐ray scattering (GIWAXS) and confirmed through the simulation of the patterns that matched the experimental. GIWAXS data also reveals that DMSO promotes higher crystallinity and vertical orientation, while MACl enhances crystal quality but increases halide segregation, shown here by nano X‐ray fluorescence (nano‐XRF) experiments. For low‐n RPPs, orientation is crucial for solar cell efficiency, but its impact decreases with increasing n. Our findings provide insights into optimizing mixed‐halide RPPs, guiding strategies to improve crystallization, phase control, and orientation for better performance not only in solar cells but also in other potential optoelectronic devices.

Guaita, Maria G D↗
DOE OSTI2024

Synthesis of Red, Green, and Blue Carbon Quantum Dots and Construction of Multicolor Cellulose-Based Light-Emitting Diodes

Light-emitting diodes (LEDs) are widely used in lighting and display applications. Carbon quantum dots (CQDs), which have high biocompatibility, high resistance to photobleaching, and full-spectrum luminescence, have inherent advantages as fluorescent materials for LED devices. Herein, multicolor CQDs are prepared by a new reagent engineering strategy due to the difference of effective conjugate length and the surface electron-withdrawing groups of CQDs. White CQDs are realized by mixing blue, green, and red CQDs proportionally. Then, the aggregation-caused quenching phenomenon of CQDs is suppressed through the hydrogen-bonding network of cellulose nanofibrils (CNFs). Multicolor fluorescent films are prepared from CQDs and CNFs by simple mixing and casting methods. Finally, thin-film encapsulation based on the photosensitive resin ABPE-10 coating can be realized and rapidly assembles into fluorescent films with different light-emitting colors into LED devices, leading to have superior thermal performance compared with conventional LEDs. White LEDs have excellent white-light illumination performance, with Commission Internationale de L’Eclairage color coordinates of (0.33, 0.37), a correlated color temperature of 5688 K, and a color rendering index of 86. This strategy provides a convenient and scalable pathway for low-cost, environmentally friendly, and high-performance CQDs-based LEDs.

42 ENGINEERING↗
DOE OSTI2024

Photon management in silicon photovoltaic cells: A critical review

With the practical efficiency of the silicon photovoltaic (PV) cell approaching its theoretical limit, pushing conversion efficiencies even higher now relies on reducing every type of power loss that can occur within the device. Limiting optical losses is therefore critical and requires effective management of incident photons in terms of how they interact with the device. Ultimately, photon management within a PV cell means engineering the device and constituent materials to maximize photon absorption within the active semiconductor and therefore reduce the number of photons lost through other means, most notably reflection and parasitic absorption. There have been great advancements in the front and the rear side photon management techniques in recent years. This review aims to discuss these advancements and compare the various approaches, not only in terms of increases in photogenerated current, but also their compatibility with different PV cell architectures and potential trade-offs, like increased surface recombination or scalability for high-volume manufacturing. In this review, a comprehensive discussion of a wide variety of the front and the rear side photon management structures are presented with suggestions to improve the already achieved performance further. Here, this review is unique because it not only presents the recent development in photon management techniques, but also offers through analysis of these techniques and pathways to improve further.

14 SOLAR ENERGY↗
DOE OSTI2022

Toward Ideal Metal–Organic Framework Thin-Film Growth via Automated Layer-by-Layer Deposition: Examples Based on Perylene Diimide Linkers

Photoactive metal-organic framework (MOF) thin films offer an opportunity for translating the advantages of periodic, crystalline, and tailorable light-harvesting materials directly into devices such as those for photoelectrochemical solar energy conversion. In this study, we report the fabrication of light-absorbing perylene-diimide-containing pillared-paddlewheel MOF thin films using an automated layer-by-layer (LbL) deposition technique. Our focus here is on optimizing the growth of representative chromophoric MOFs as oriented films of uniform and predefined thickness. Growth was examined as a function of metal identity, pillaring ligand composition, and supporting-surface chemical functionality. Further, application of atomic force microscopy (AFM) and complementary techniques revealed that the surface-supported MOFs initially display island-type film growth (Volmer-Weber growth), resulting in comparatively rough films. Further growth is accompanied by the merging of islands, resulting in films that, depending on experimental details, can be remarkably smooth (i.e., roughness on the order of ±1 nm (one structural repeat unit in the pillaring direction)). These details include the use of 1,4-diazabicyclo[2.2.2]octane (DABCO) as a MOF pillar and ALD-grown zinc oxide as a film support (ALD = atomic layer deposition). Also helpful for mitigating island-type growth, at least in part, is the replacement of Zn 2+ by Cu 2+ as the metal component of the MOF. Notably, each of these adjustments entails replacing weaker chemical bonds with stronger ones.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗