Search NASA⌕ Search

SEARCH · Search NASA

Results for “multifunctional materials”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

3D printable polyvinyltoluene-based plastic scintillators with pulse shape discrimination

A feasibility of preparing bulk photopolymerized plastics scintillators that contain vinyltoluene with multifunctional monomers, pentaerythritol tetraacrylate is shown. This formulation offers a simple and fast way to prepare polyvinyltoluene-based plastics with efficient fast neutron/gamma pulse shape discrimination (PSD) within minutes. 30 wt% of 2,5-diphenyloxazole (PPO) was added in the mixtures of vinyltoluene and pentaerythritol tetraacrylate with different secondary dyes to understand the effect of dyes on the scintillation. Prepared resins were photopolymerized under different conditions, and the scintillation performance was compared to a commercially available standard, EJ-276. Additional functionality for thermal neutron sensitivity was introduced by the incorporation of 6 Li and 6 B nuclei. With optimized conditions, prepared plastics showed light output up to 90% relative to the same size of EJ-276. Here, the best plastic scintillators had PSD figures of merit (FoMs) up to 2.77 compared to 3.25 of EJ-276. The 3D-printability of the tested formulations was demonstrated.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Titanium Dioxide Nanomaterial Ink Production Through Laser Ablation Synthesis in Solution for Printed Electronics Applications

Flexible and printed electronics have become increasingly popular as they make possible the production of flexible, low-cost, multifunction devices that are unachievable through traditional manufacturing methods. The printed films are significantly impacted and thus limited by the existing ink production process. Herein, an alternate technique of generating high-quality titanium dioxide (TiO 2 ) nanoparticle ink compatible with aerosol jet printing using laser ablation synthesis in solution (LASiS) is showcased. Dynamic light scattering data and transmission electron microscopy confirm the particle size distribution. UV–vis measurements are performed, and the Beer–Lambert relationship is used to determine the concentration of the generated ink. The inks generated at two different repetition rates are compared: 200 kHz and 1 MHz. X-Ray diffraction analysis of the aerosol jet printed thin film post-thermal sintering confirms the grain size and phase purity of the printed thin films. This work demonstrates the effectiveness of the LASiS technique in producing printable nanoparticle inks with little-to-no postprocessing.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A universal and facile approach for building multifunctional conjugated polymers for human-integrated electronics

Polymer semiconductors have shown distinct promise for the development of human- integrated electronics, owing to their solution processability and mechanical softness. However, numerous functional properties required for this application domain face synthetic challenges to be imparted onto conjugated polymers and thus combined with efficient charge- transport property. Here, we develop a “click-to-polymer” (CLIP) synthesis strategy for conjugated polymers, which uses a click reaction for the facile and versatile attachment of diverse types of functional units to a pre-synthesized conjugated-polymer precursor. With four types of functional groups, we show that functionalized polymers from this CLIP method can still retain good charge-carrier mobility. Here, we take two realized polymers to showcase the photo-patternable property and biochemical sensing function, both of which advance the state of the art of realizing these two types of functions on conjugated polymers. We expect the expanded use of this synthesis approach can largely enrich the functional properties from conjugated polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Machine Learning‐Guided Discovery of High‐Entropy Perovskite Oxide Electrocatalysts via Oxygen Vacancy Engineering

Abstract High‐entropy perovskite oxides (HEPOs) have recently emerged as multifunctional catalysts. However, the HEPOs’ structural and compositional complexity hinders the easy and accurate extrapolation of activity indicators, which are essential for establishing structure‐property correlations. Here, OxiGraphX, is introduced as a novel graph neural network (GNN) model designed to capture the complex relationships among structure, composition, and atomic chemical environments for accurate prediction of oxygen vacancy formation energies (OVFEs) in HEPOs. By integrating machine learning (ML), density functional theory (DFT), and experimental validation, this work demonstrates an efficient framework for rapidly and accurately screening HEPO electrocatalysts for oxygen evolution reaction (OER). The OxiGraphX predicts OVFEs with a precision exceeding existing data, enabling the identification of compositions of higher oxygen vacancy content (OVC) and, thus, higher catalytic activity. Furthermore, the model explores latent spaces that translate effectively into experimental domains, bridging computational predictions with real‐world applications. This approach accelerates the discovery of high‐performance HEPO catalysts while providing deeper insights into their catalytic mechanisms.

Chemistry↗
DOE OSTI2026

Morphology-driven oxygen evolution performance of NiO x nanostructures and implications for hole transport in perovskite solar cells

Morphology-controlled nanostructures provide an effective strategy to modulate both oxygen evolution reaction (OER) activity and photovoltaic performance in perovskite solar cells (PSCs). However, achieving low OER overpotentials and high power conversion efficiency (PCE) simultaneously through morphology engineering remains challenging. In this work, nickel oxide (NiO x ) nanostructures with spindle-like (NiO x -NS) and plate-like (NiO x -NP) morphologies were synthesized and evaluated as bi-functional OER catalysts and hole transport layers (HTLs) in inverted PSCs. Structural and thermal analyses reveal that NiO x -NS crystallizes into a cubic phase at a lower temperature (300 °C), whereas NiO x -NP requires higher calcination temperatures, reflecting differences in precursor microstructure. Electrochemical measurements indicate that NiO x -NS calcined at 300 °C delivers the lowest OER overpotential (395 mV at 10 mA cm −2 ), outperforming NiO x -NP calcined at 400 °C (565 mV) and 500 °C (474 mV). This enhanced activity is ascribed to favorable surface strain, increased defect density, and advantageous facet exposure. When used as HTLs, NiO x -NS also delivers the highest PCE (13.25%) among all tested devices, exceeding those based on NiO x -NP and commercial NiO x , owing to improved hole extraction and interfacial contact. Overall, this study highlights the importance of morphology control and thermal processing in tailoring NiO x for multifunctional nanomaterials in electrocatalytic and photovoltaic applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Development of Nanocrystalline Graphite from Lignin Sources

Carbon composites are attractive to a variety of high-impact applications, such as carbon fibers, batteries, and vehicle parts, due to their multifunctional properties. The properties of carbon are highly dependent on the allotrope the carbon takes and the functionality, impurities, and defects contained within the structure. The increase in demand for sustainable carbon sources in energy storage devices motivates interest in understanding synthesis parameters of lignin value-added products. Also, as the dependence on oil for fuel decreases, alternative sources for carbon in many applications will be needed. In this work, the thermochemical conversion of lignin powders from different feedstocks was evaluated via small and wide-angle X-ray scattering techniques to resolve the amorphous, disordered, and crystalline domains present in the lignin carbons. Scattering analyses indicated an evolution of hierarchical structures along with an increase in ordered domains as a function of carbonization temperature. Qualitative and quantitative methods were used to describe isotropic scattering intensity profiles at multiple length scales. The use of power law models in the mesoscopic region served as the basis to describe morphological changes related to structural features, for example, graphene stacking, degree of roughness, and surface fractals. Kraft softwood and switchgrass produced carbon powder with the most crystalline domains and the least surface roughness. Softwoods reached the highest degree of crystallinity followed by switchgrass samples and had less variability in particle sizes. These results suggest lignin carbons extracted from softwoods and switchgrass are viable substitutes for graphite. Interpretation of X-ray scattering data from lignin carbon powders elucidates feedstock- and processing-dependent morphological features across multiple length scales providing a straightforward framework to evaluate the feasibility of leveraging lignin carbons for producing tunable application-specific materials.

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

Multifunctional Thiol-Containing Additives for Improved Photoluminescence and Photovoltaic Performance of Cs 0.15 FA 0.85 PbI 3 Perovskites

Thiol containing molecules as both interfacial surface ligands and additives are promising modulators for enhancing photoluminescence (PL) properties, stability, and photovoltaic (PV) performance of metal halide perovskites. However, alkanethiols are much more effective for improving photoluminescence (PL) intensity and stability in metal halide perovskite nanocrystals than in their thin film analogues. Herein, we investigate how additional functional groups on a pyrimidine core can alter thiol reactivity and influence the PL, stability, and PV performance of organic metal halide perovskites. Through an investigation of five different pyrimidine derivatives, it is shown that all derivatives containing thiol groups form thiolates in the presence of the perovskite precursors and increase the photoluminescence intensity of the perovskite film. The largest all-around improvement to the PL intensity, stability, and photovoltaic performance of Cs 0.15 FA 0.85 PbI 3 perovskites is realized through the addition of a hydroxyl group combined with a trifluoromethyl group to form 4-hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol. Furthermore, this investigation helps illuminate how combinations of functional groups can be employed to further increase the beneficial effects over monofunctional additives in organic metal halide perovskites.

14 SOLAR ENERGY↗
DOE OSTI2024

Nanoscale Ferroelectric Programming of van der Waals Heterostructures

We demonstrate an approach to creating nanoscale potentials in van der Waals layers integrated with a buried programmable ferroelectric layer. Using ultra-low-voltage electron beam lithography (ULV-EBL), we can program the ferroelectric polarization in Al 1–x B x N (AlBN) thin films, generating structures with sizes as small as 35 nm. We demonstrate the ferroelectric field effect with a graphene/vdW stack on AlBN by creating a p–n junction. This resist-free, high-resolution, contactless patterning method offers a new pathway to integrate ferroelectric films with a wide range of two-dimensional layers including transition-metal dichalcogenides (TMD), enabling arbitrary programming and top-down creation of multifunctional devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Liquified SO 2 induced solid/cathode electrolyte interphase for lithium ion batteries

Formation of robust solid/cathode electrolyte interphases (S/CEI) is vital for long-term stability and high-performance operation of lithium-ion batteries (LIBs), particularly under high voltage regimes. However, engineering electrochemically stable S/CEIs that effectively suppress interfacial side reactions remains a key challenge. Herein, we introduce a liquefied sulfur dioxide (SO 2 )– ionic liquid complex as a fluorine-free multifunctional electrolyte additive for the first time that significantly improves the formation of sulfate/sulfite-rich S/CEI layers at both graphite and NMC811 interfaces. The unique SO 2 -N coordination with a 1,2,4-triazolide-based ionic liquid enables homogeneous SO 2 dissolution, resulting in controlled SO 2 decomposition during the initial electrochemical cycle. This decomposition yields sulfur-rich interphase species that stabilize the electrolyte-electrode interface, reduce impedance growth, and lessen electrolyte decomposition. Electrochemical tests show significantly improved cycle life, reduced polarization, and increased Coulombic efficiency for both anodes and cathodes. XPS confirms the presence of SO 2 -derived surface species that contribute to interfacial stability. In conclusion, this approach highlights a new direction for interphase engineering using liquefied gas additives and opens pathways for sulfur-based S/CEI chemistry in advanced battery systems.

Graphite↗
DOE OSTI2022

PtRu Catalysts on Nitrogen-Doped Carbon Nanotubes with Conformal Hydrogenated TiO 2 Shells for Methanol Oxidation

The methanol oxidation reaction (MOR) is the limiting factor in direct methanol fuel cells (DMFC). There is an urgent need to improve the catalytic activity and stability of MOR catalysts. This study reports a highly active PtRu catalyst for MOR based on a hybrid multifunctional catalyst support consisting of a conformal amorphous hydrogenated TiO 2 shell wrapped around the oxygenated N-doped carbon nanotube core, denoted as PtRu/TiO 2 / ONCNT-400. Both the TiO 2 shell and the subsequent PtRu nanoparticles are deposited by a rapid microwave-assisted synthesis processes. The hydrogenated TiO 2 shell is found to exhibit a strong interaction with the deposited PtRu catalyst nanoparticles and effectively prevent them from agglomeration during the postdeposition thermal annealing to form more active crystalline PtRu alloy catalysts. In addition, the defective hydrogenated TiO 2 shell enhances the PtRu catalyst activity by the synergistic effects of partial charge transfer from TiO 2 to PtRu and high oxophilicity, which improves the kinetics of oxidation of poisonous CO intermediate to CO 2 . The mass activity for MOR and long-cycling stability of the PtRu/TiO 2 /ONCNT-400 catalyst surpass the two benchmark commercial PtRu/C catalysts from Johnson Matthey (JM) and Tanaka KiKinzoku (TKK), respectively. Furthermore, the results demonstrate that PtRu/TiO 2 /ONCNT-400 can serve as an efficient catalyst for MOR in DMFC.

36 MATERIALS SCIENCE↗
DOE OSTI2022

A generalized 3D elastic model for nanoscale, self-assembled oxide-metal thin films with pillar-in-matrix configurations

In recent years, functional oxide-metal based vertically aligned nanocomposite (VAN) thin films have gained interest due to their intriguing physical properties and multifunctionalities stemming from the complex interactions between the two phases in the film and the substrate. In this work, we develop a model for studying the energetics of these thin film systems, including the effects of both lattice mismatch and capillary forces due to interface curvature. Each phase is incorporated into the model using a phase indicator function, and we introduce the capillary forces as body forces using a vector density representation of the interface. The model is implemented using the finite element method to study the deformation of the thin film which is composed of Au nanopillars embedded in a La 0.7 Sr 0.3 MnO 3 (LSMO) matrix on an SrTiO 3 (STO) substrate. Further, the results suggest that the total energy is lowest for random configurations of pillars compared to ordered square and hexagonal lattice configurations, consistent with the random distribution of pillars found in experiments. Furthermore, we find that the interfacial energy dominates the total energy of each configuration, suggesting that interfacial energy in the system is an important design parameter for nanocomposite growth, along with the lattice mismatch.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Low-voltage magnetoelectric coupling in membrane heterostructures

Strain-mediated magnetoelectric (ME) coupling in ferroelectric (FE)/ferromagnetic (FM) heterostructures offers a unique opportunity for both fundamental scientific research and low-power multifunctional devices. Relaxor-FEs, such as (1-x)Pb(Mg 1/3 Nb 2/3 )O 3 -(x)PbTiO 3 (PMN-xPT), are ideal FE layer candidates because of their giant piezoelectricity. However, thin films of PMN-PT suffer from substrate clamping, which substantially reduces piezoelectric in-plane strains. Here, we demonstrate low-voltage ME coupling in an all-thin-film heterostructure that uses the anisotropic strains induced by the (011) orientation of PMN-PT. We completely remove PMN-PT films from their substrate and couple with FM Ni overlayers to create membrane PMN-PT/Ni heterostructures showing 90° Ni magnetization rotation with 3 V PMN-PT bias, much less than the bulk PMN-PT ~100-V requirement. Scanning transmission electron microscopy and phase-field simulations clarify the membrane response. These results provide a crucial step toward understanding the microstructural behavior of PMN-PT thin films for use in piezo-driven ME heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Can Polyelectrolyte Mechanical Properties be Directly Modulated by an Electric Field? A Molecular Dynamics Study

Multifunctionality in polymers facilitates their application in emerging technologies. Electrical fields are a preferred stimulus because of the speed and ease of application to bulk polymers. While a wide range of electrically triggered actuators are developed, and electrically controlled adhesion between gels is demonstrated, modification of bulk mechanical properties via electrical stimuli remains elusive. Polymers with covalently incorporated ionic charge (polyelectrolytes) should be well suited to achieving this goal since the mechanical properties depend on electrostatic interactions and these charges are intrinsically susceptible to electric fields. Molecular dynamics simulations are utilized here to investigate whether electric fields can modulate the mechanical properties of polyelectrolytes and to understand the governing mechanisms. Mechanical property modulation by electric field is found to be sensitive to the charge distribution—charges must be tightly attached to the polymer backbone, and responsivity is greater if a single backbone contains both positive and negative charges. The dominant mechanisms are reorientation and stretching of the polymer chains, which also elongate the ionic clusters to maintain strong electrostatic interactions throughout deformation. Furthermore, these insights are critical for future experimental realization of polymers with electric field regulated mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Tunable Magnetic and Optical Anisotropy in ZrO 2 ‐Co Vertically Aligned Nanocomposites

Abstract Metamaterials have gained great research interest in recent years owing to their potential for property tunability, multifunctionality, and property coupling. As a new group of self‐assembled thin films, vertically aligned nanocomposite (VAN)‐based hybrid metamaterials have been demonstrated with significant anisotropic physical properties and a broad range of property tailorability, such as optical anisotropy, magnetic anisotropy, hyperbolic dispersion, and enhanced second harmonic generation properties. Herein, self‐assembled ZrO 2 ‐Co nanocomposite films, with high epitaxial quality and ultra‐fine vertically aligned Co nanopillars (with an average diameter of ≈2 nm) embedded in a ZrO 2 matrix, are fabricated using a pulsed laser deposition (PLD) method. The Co pillar density can be effectively tuned by varying the Co concentration in the target, which results in tunable optical properties and magnetic properties. Specifically, a high saturation magnetization of 100 emu cm −3 , strong out‐of‐plane magnetic anisotropy and tailorable magnetization properties are achieved via tuning the Co nanopillar density. Coupled with hyperbolic dispersion of dielectric constant from 950 to 1500 nm in wavelength, plasmonic Co metal nanopillars, and the unique dielectric ZrO 2 matrix, this new nanoscale hybrid metamaterial shows great potential for future integrated optical and magnetic device designs.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Growth of carbon nanotube forests on flexible metal substrates: Advances, challenges, and applications

Owing to their remarkable properties and ordered architecture, vertically aligned CNT forests (VACNT) hold promises for countless applications ranging from energy storage to multifunctional fiber production. Over the last three decades, studies of carbon nanotube (CNT) growth have provided invaluable insight into the CNT nucleation and growth mechanism and enabled critical advancements in nanotechnology. Nevertheless, the ability to fully harness the exceptional VACNT properties in commercial devices is bottlenecked by compatibility of current CNT synthesis processes with large-scale manufacturing. Metal foil substrates present an economic alternative to traditional insulating substrates, like silicon or quartz, and are compatible with both roll-to-roll and automated, large-scale, batch processes. Compared to CNT growth on Si substrates, metal foils present additional challenges, such as increased roughness and reactivity at high temperatures. Nonetheless, many successful VACNT growths on conducting metal foils have been reported, which demonstrate the feasibility of metal substrate use for large-volume production of high-quality CNTs. Here, in this review, we discuss advancements in the field of VACNT growth on metal foil and specifically examine different choices for metal substrates, barrier and catalyst layers, deposition and growth methods, resulting CNT characteristics, and highlight a number of applications that benefit from CNT growth on metal substrates and transition to large-scale manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Compression Response of Silicone-Based Composites with Integrated Multifunctional Fillers

Polydimethylsiloxane (PDMS) is known for its exceptional mechanical properties, chemical stability, and flexibility. Recent advancements have focused on developing functional PDMS composites by integrating various functional fillers, including polymers, ceramics, and metals, for advanced applications such as electronics, medical devices, and aerospace. Consequently, there is a growing need to investigate PDMS composites to achieve higher filler loadings offering enhanced mechanical performance. This study addresses this need by utilizing the high molecular weight (MW) PDMS resin we have developed, offering its high elongation capacity of up to >6500%. We incorporated boron (B), hollow glass microballoons (HGMs), and tungsten-coated hollow glass microballoons (WHGMs) into the developed high MW PDMS. The resulting composites demonstrated excellent elastic properties and significant compression resilience (35–80%) and elastic modulus (1.28–10.15 MPa) at high filler loadings (~60 vol.%). Specifically, B/PDMS composites achieved up to 67.6 vol.% of B, HGM/PDMS composites held up to 68.6 vol.% of HGM, and WHGM/PDMS composites incorporated up to 54.0 vol.% of WHGM. These findings highlight the potential of high MW PDMS for developing high-performance PDMS composites suitable for advanced applications such as aerospace, automotive, and medical devices.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Development of multifunctional nylon 6,6-based nanocomposites with high electrical and thermal conductivities by scalable melt and dry blending methods for automotive applications

With the advent of intelligent automobile technology, the demand for multifunctional composites with higher electrical and thermal conductivities is increasing. We have herein reported for the first time the effect of polyolester on the dispersion of carbon nanotube (CNT) in the short-carbon fiber (CF)/nylon 6,6 (PA66) composite using a scalable melt-mixing and dry-blending method and its subsequent improvement in electrical and thermal conductivities. Masterbatches were prepared with a higher concentration of CNT (both untreated and polyolester-treated) followed by dry blended with reference composite (30 wt% CF and 10 wt% mineral fiber filled PA66) before making coupons via injection molding. A 500% and 63% improvements in electrical (3.14 S cm -1 ) and thermal conductivities (in-plane) (1.99 W m -1 K -1 ) conductivities were observed by adding 1.5 wt% treated CNT compared to the reference composite. The improvements were even higher than that of untreated CNT due to better dispersion. Furthermore, the electromagnetic shielding effectiveness reached 61 dB for 1.5 wt% treated CNT-filled composite (39% enhancement). In conclusion, these results are significant in imparting multiple functionalities to the automotive composite parts.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Room temperature multiferroicity and magnetodielectric coupling in 0–3 composite thin films

Magnetoelectric (ME) composite thin films are promising candidates for novel applications in future nanoelectronics, spintronics, memory and other multifunctional devices as they exhibit much higher ME coupling and transition temperatures (Tc) than well-known single phase multiferroics discovered to date. Among the three types of multiferroic composite nanostructures, (2-2) layered and (1-3) vertically aligned composite nanostructures exhibit comparatively smaller ME coupling due to different shortcomings which restrict their use in many applications. Here we study the morphological, piezoresponse force microscopic (PFM), ferroelectric, magnetic, and magnetodielectric properties of 0-3 (magnetic nanoparticles (0) homogeneously distributed in ferroelectric matrices (3)) multiferroic composite thin films. The Pb(Fe 0.5 Nb 0.5 )O 3 (PFN) - Ni 0.65 Zn 0.35 Fe 2 O 4 (NZFO) particulate composite films were synthesized by pulsed laser deposition (PLD). These particulate composite thin films are completely c-axis oriented with very low surface roughness. We observed magnetic and ferroelectric T c above room temperature (RT) for all composite thin films. The PFN-NZFO 0-3 composites exhibit large polarization, high saturated magnetization with low coercive field, low dielectric loss along with magnetodielectric coupling at RT. These nanocomposites might be utilized in next generation nano/microelectronics and spintronic devices.

36 MATERIALS SCIENCE↗