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At least 235 records · Page 13

Exploring Cs 2 AgIn x Bi 1− x Cl 6 double perovskites for optoelectronics: insights from theoretical and photophysical approaches

Lead-free halide double perovskites (HDPs) have become attractive materials for optoelectronic applications owing to their nontoxicity, structural stability, and germane photoelectric properties. In this work, we report the synthesis of high-quality In-alloyed Cs 2 AgIn x Bi (1−x) Cl 6 nanocrystals (NCs) using the antisolvent recrystallization method and comprehensively investigate the effects of In alloying on the structural, morphological, optoelectronic, and temperature-dependent photoluminescence (TDPL) properties using the state-of-the-art experimental and computational tools. Both XRD and Raman spectroscopy analyses confirmed the synthesis of highly crystalline Cs 2 AgIn x Bi (1−x) Cl 6 materials, which exhibited cubic morphology, as confirmed by TEM analysis. Room-temperature photoluminescence (PL) measurements revealed a drastic increase in the intensity above 75% In concentration with dual emission, whereas the time-resolved PL (TR-PL) results show an increase in the average lifetime values with an increase in In content, suggesting that the materials have excellent optical properties and hence are suitable candidates for optoelectronics. The TDPL measurements revealed the smallest Huang–Rhys factor (18.6) for the Cs 2 AgIn x Bi (1−x) Cl 6 (x = 0.9) sample, indicating weak exciton–phonon coupling in this composition. When deployed in the fabrication of a photodetector device, the Cs 2 AgIn x Bi (1−x) Cl 6 (x = 0.9) sample exhibited significantly enhanced photoresponsivity and a faster response time, confirming its potential for photodetector applications. Complementary DFT calculations showed that In alloying modifies the band structure of Cs 2 AgIn x Bi (1−x) Cl 6 . Our results provide valuable insights for designing multifunctional Cs 2 AgIn x Bi (1−x) Cl 6 -based materials for next-generation energy and optoelectronic devices.

14 SOLAR ENERGY↗

Upcycling Polycrystalline LiNi1/3Mn1/3Co1/3O2 to High-Performance Large-Grained LiNi0.6Mn0.2Co0.2O2 via Simplified Polyol-Mediated Recycling

The escalating demand for lithium-ion batteries (LIBs) necessitates advanced recycling strategies that can address both resource scarcity and environmental impact. While conventional hydrometallurgy shows promise, it is challenged by complexity, impurity management, and environmental footprint. Here, we report a strategic polyol-metallurgy recycling process that efficiently transforms spent polycrystalline LiNi1/3Mn1/3Co1/3O2 (NMC111) into high-performance large-grained LiNi0.6Mn0.2Co0.2O2 (NMC622), offering dual benefits of compositional upcycling and morphology upgradation. Our approach leverages a polyol system with meticulous control over nickel salt addition and the precipitation process. This yields upcycled cathode materials possessing excellent structural integrity, well-defined large-grained particles (5-10?..mu..m), and robust electrochemical performance, including a specific capacity of ~182 mAh g-1 at C/10 and 88.0% capacity retention after 100 cycles. This facile and multifunctional process provides an environmental-friendly pathway for advanced cathode recycling, significantly contributing to a circular economy for LIBs through precise control over critical material attributes.

25 ENERGY STORAGE↗

Design and Characterization of Carbon Nanotube Nanocomposites

Revolutionary design concepts in future aerospace vehicles will depend on extraordinary material properties to permit significant reduction of mass and size of components, while imparting intelligence. Due to their combination of remarkable electrical and mechanical properties, carbon nanotubes (CNT) are expected to enable this paradigm shift in design concepts. However, significant challenges still exist in translating these CNT properties into the macrostructures required for future generations of aerospace vehicles. While an accepted route for making the leap from nanostructures to useful macrostructures has not been fully charted, this paper will give an overview of the approach taken by some researchers at NASA Langley Research Center to sort out issues involved in the development of CNT nanocomposites for multifunctional structures. Specifically, the dispersion of carbon nanotubes in polymer matrices, characterization of nanocomposites, the role of quantum computation in providing guidance for processing and the use of computational analysis in data interpretation will be covered. Significant improvements in mechanical and electrical properties of CNT nanocomposites with very low loadings of CNTs are described and lend credence to the potential for using CNTs in achieving technological leaps in composite development.

Siochi, Emilie J.↗

Pressure Shell Approach to Integrated Environmental Protection

The next generation of exploration mission human systems will require environmental protection such as radiation protection that is effective and efficient. In order to continue human exploration, habitat systems will require special shells to protect astronauts from hostile environments. The Pressure Shell Approach to integrated environmental (radiation) protection is a multi-layer shell that can be used for multifunctional environmental protection. Self-healing, self-repairing nano technologies and sensors are incorporated into the shell. This shell consists of multiple layers that can be tailored for specific environmental protection needs. Mainly, this innovation focuses on protecting crew from exposure to micrometeorites, thermal, solar flares, and galactic cosmic ray (GCR) radiation. The Pressure Shell Approach consists of a micrometeoroid and secondary ejecta protection layer; a thin, composite shell placed in between two layers that is non-structural; an open cavity layer that can be filled with water, regolith, or polyethylene foam; a thicker composite shell that is a structural load bearing that is placed between two layers; and a bladder coating on the interior composite shell. This multi-layer shell creates an effective radiation protection system. Most of its layers can be designed with the materials necessary for specific environments. In situ materials such as water or regolith can be added to the shell design for supplemental radiation protection.

Kennedy, Kriss J.↗

Anomalously high elastic modulus of a poly(ethylene oxide)-based composite electrolyte

The practical use of lithium metal anodes in solid-state batteries requires a polymer membrane with high lithium-ion conductivity, thermal/electrochemical stability, and mechanical strength. The primary challenge is to effectively decouple the ionic conductivity and mechanical strength of the polymer electrolytes. We report a remarkably facile single step synthetic strategy based on in-situ crosslinking of poly(ethylene oxide) (xPEO) in the presence of a woven glass fiber (GF). Such a simple method yields composite polymer electrolytes (CPE) of anomalously high elastic modulus up to 2.5 GPa over a broad temperature range (20 °C – 245 °C) that has never been previously documented. An unsupervised machine learning algorithm, K-mean clustering analysis, was implemented on the hyperspectral Raman mapping at the xPEO/GF interface. Using such a unique means, we show for the first time that the promoted mechanical strength originates from xPEO and GF interactions through dynamic hydrogen and ionic bonding. High ionic conductivity is achieved by the addition plasticizer (e.g. tetraglyme), where trifluoromethanesulfonate anions are tethered to the xPEO matrix and Li + cations are favorably transported through coordination with the plasticizer. Further, stringent galvanostatic cycling tests indicates the CPE can be stably cycled for >3000 h in a Li-metal symmetric cell at a moderate temperature (nearly 1500 Coulombs/cm 2 Li equivalents), outperforming most of the PEO-based electrolytes. The GF reinforced CPE reported here has multifunctional uses, such as solid electrolytes for all solid-state batteries and membranes for redox-flow batteries. Although the focus of this study is on lithium-based batteries, the results are equally promising for other alkali metal based batteries such as sodium and potassium.

25 ENERGY STORAGE↗

Role of a Chemist in Modern Industries: Design and Development of Nanoengineered Multifunctional Materials

During the past fifteen years significant investment has been made for the applications of nanotechnology in almost every aspect of life. Almost every area of research has projected improvements including biotechnology, bioinspired electronic, optical and radiological sensors, or a promise for the emergence of some novel device technologies. For such applications major focus has been placed on research nanoparticles, nanotubes nanorods and two-dimensional structures similar to that of graphene. Some near- term applications of nano- particles and nanowires have produced very promising results for better synthesis of energy storage materials, design of biologically active composites like apatites, laser host crystals, photodetectors and sensor materials for radiation detection. To achieve desired morphologies, nanomaterials can be utilized some organic melt and orient the grains by the directional solidification method. The organic treated materials produce different characteristics than coarsened oxide materials. The focus is also understanding the morphology and performance function in human organs that occur because of aging or disease, and responses to interventions. We annealed to determine the changes in morphologies and hence effect of aging. In this presentation, we will discuss correlation between the designed composition, micromorphology and the performance parameters of nanomaterials. To understand the mechanism of formation of nanoparticles, nanoboloids, fibers experimental details and observations on the of multinary compounds will be presented. These observations on the transition of nanomorphology can highlight the mechanism of the phase transition in some oxides and selenides.

Singh, N. B.↗

Mechanically and thermally robust microporous copolymer separators for lithium ion batteries

Next generation, multifunctional separators can enhance energy storage, power, and safety performance of lithium ion batteries but must be simple to fabricate and incorporate with existing roll-to-roll manufacturing. Here, this study presents a strategy to facilely prepare these separators using UV-initiated polymerization-induced phase separation (PIPS), wherein microporous polymer separators are fabricated directly from constituent monomers and ethylene carbonate (EC) porogen. This enables a wide compositional design space as co-monomers with specific chemical functionality can be readily incorporated into the PIPS precursor mixture. Herein, 1,4-butanediol diacrylate (BDDA) was copolymerized with poly(ethylene glycol) diacrylate (PEGDA) to increase the acrylate conversion in the photopolymerization and improve mechanical properties. By tuning the ratio of PEGDA and EC, separators with high porosity (41.3%) and effective ionic conductivity (2.09 mS cm –1 ) were prepared. Inclusion of PEGDA was essential to increasing the elastic modulus to > 345 MPa, which is required for cell assembly by roll-to-roll manufacturing. All separators prepared were shown to enable reversible cycling of lithium metal/LiNi 0.5 Mn 0.3 Co 0.2 O 2 half-cells for 100 cycles. Unlike conventional polyolefin separators, which were shown to melt at 160 °C and shrink by up to 29.8% at elevated temperatures, the PIPS separators possess exceptional, safety-enhancing thermomechanical properties, undergoing no phase transitions or thermal shrinkage.

25 ENERGY STORAGE↗

Prediction of Material Properties of Nanostructured Polymer Composites Using Atomistic Simulations

Atomistic models of epoxy polymers were built in order to assess the effect of structure at the nanometer scale on the resulting bulk properties such as elastic modulus and thermal conductivity. Atomistic models of both bulk polymer and carbon nanotube polymer composites were built. For the bulk models, the effect of moisture content and temperature on the resulting elastic constants was calculated. A relatively consistent decrease in modulus was seen with increasing temperature. The dependence of modulus on moisture content was less consistent. This behavior was seen for two different epoxy systems, one containing a difunctional epoxy molecule and the other a tetrafunctional epoxy molecule. Both epoxy structures were crosslinked with diamine curing agents. Multifunctional properties were calculated with the nanocomposite models. Molecular dynamics simulation was used to estimate the interfacial thermal (Kapitza) resistance between the carbon nanotube and the surrounding epoxy matrix. These estimated values were used in a multiscale model in order to predict the thermal conductivity of a nanocomposite as a function of the nanometer scaled molecular structure.

Hinkley, J.A.↗

Influence of Binder Coverage on Interfacial Chemistry of Thin Film LiNi 0.6 Mn 0.2 Co 0.2 O 2 Cathodes

In this work, we explore the influence of binder coverage and chemistry on the interfacial properties of the textured Ni-rich cathode LiNi 0.6 Mn 0.2 Co 0.2 O 2 . We find that the formation of the cathode/electrolyte interphase (CEI) composition varies significantly for cathodes coated with either poly(vinylene fluoride) (PVDF), carboxymethyl cellulose (CMC), or lithium polyacrylate (LiPAA) after cycling to high upper cutoff voltages (4.5 V vs Li/Li). The PVDF-coated samples had a thinner CEI and twice the relative concentration of LiF and Li 2 CO 3 to Li x PO y F z species in the CEI compared to the uncoated sample. This correlated with significantly lower interfacial impedance (285 vs ~1700 Ohm-cm 2 ) and improved capacity retention between cycles of the PVDF-coated samples compared to the other binder compositions and the uncoated sample. CMC-coated samples performed worst, with a CEI comprised of greater amounts of Li x PO y F z . In addition, we find the choice of binder results in the selective protection or promotion of electrolyte reactions at the (104) surface of the 622 cathode. This suggests that the choice of binder can impact the surface chemistry and performance of high voltage cathodes and supports an avenue for interest in multifunctional binders for stabilizing the CEI.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

In Situ MOF Pyrolysis Construction of Hierarchical Porous Co‐Nanoparticles/Carbon Cloth Composites for Enhanced Electromagnetic Wave Shielding and Absorption

The development of high-performance electromagnetic protection materials integrating broadband absorption and effective shielding capabilities is hindered by challenges in simultaneously optimizing multiple electromagnetic properties through conventional material designs. This study pioneers a hierarchical porous Co nanoparticle/carbon cloth (Co/CC) composite via controlled annealing of a Co-MOF precursor on carbon cloth. The Co-MOF served a dual role as both magnetic source and pore-forming agent, enabling in situ generation of uniformly dispersed Co nanoparticles and creation of abundant pores/interfaces on the CC fibers during pyrolysis. This unique architecture synergistically enhanced dielectric loss (via interfacial/dipolar polarization) and magnetic loss (via natural resonance, exchange interactions, and eddy currents), significantly improving impedance matching. The hierarchical pores further functioned as integrated “absorption–reflection” units for efficient electromagnetic energy attenuation. Consequently, the Co/CC composite annealed at 800°C (Co/CC-800) achieves minimum reflection loss (−40.69 dB) and 120% effective absorption bandwidth extension (6.16 GHz) as a filler, and exhibits superior electromagnetic interference shielding effectiveness (46.66 dB) as an integrated component. Significantly, Co/CC-800 demonstrated robust photothermal and electrothermal conversion capabilities, ensuring operational stability in ice-covered and humid harsh environments. This work pioneers a pore-structure-mediated strategy to harmonize dielectric–magnetic synergy, providing a new paradigm for designing advanced multifunctional electromagnetic protection materials.

dielectric‐magnetic synergy↗

Multi-Scale Sizing of Lightweight Multifunctional Spacecraft Structural Components

This document is the final report for the project entitled, "Multi-Scale Sizing of Lightweight Multifunctional Spacecraft Structural Components," funded under the NRA entitled "Cross-Enterprise Technology Development Program" issued by the NASA Office of Space Science in 2000. The project was funded in 2001, and spanned a four year period from March, 2001 to February, 2005. Through enhancements to and synthesis of unique, state of the art structural mechanics and micromechanics analysis software, a new multi-scale tool has been developed that enables design, analysis, and sizing of advance lightweight composite and smart materials and structures from the full vehicle, to the stiffened structure, to the micro (fiber and matrix) scales. The new software tool has broad, cross-cutting value to current and future NASA missions that will rely on advanced composite and smart materials and structures.

Bednarcyk, Brett A.↗

Mesoscale Design of Magnetoelectric Heterostructures and Nanocomposites

Multiferroic materials have a coexistence of at least two ferroic orders. The coupling interaction between the different order parameters can produce new phenomena, such as the magnetoelectric (ME) effect. The ME response is the appearance of an electric polarization P upon applying a magnetic field H, and/or vice versa. Magnetoelectricity has been observed as an intrinsic effect in some natural materials at low temperature; however, such single phase materials suffer from extremely weak ME exchange. Better alternatives are two-phase composites consisting of magnetostrictive and piezoelectric phases, which have been shown to have large ME coefficients. Said composites exploit a unique product ME tensor property that depends upon the individual strictions of the piezoelectric and magnetostrictive phases, the elastic stiffness and integrity of the interphase interfaces, the phase distribution and the dimensionality of its connectivity, and any elastic constraint; amongst other things. This research program between D. Viehland PI and S.Priya at Virginia Tech investigated the mesoscale physics and chemistry of such two-phase ME heterostructures. The results of the proposed research are relevant to new generations of multifunctional materials involving heterogeneous components. How the product ME property be optimized? The answers lies with the interphase-interfaces, where the atomic layers coordinate stress transfer from one phase to another. It was the primary goal of this research program to discover such fundamental relationship for two phase ME heterostructures and nanocomposites. This research program integrated all the components required to fully investigate the ME phenomenon: starting from synthesis of nanomaterials with diversified interfacial characteristics; to full electrical, magnetic, and structural characterizations.

36 MATERIALS SCIENCE↗

Ceramic Integration Technologies for Advanced Energy Systems: Critical Needs, Technical Challenges, and Opportunities

Advanced ceramic integration technologies dramatically impact the energy landscape due to wide scale application of ceramics in all aspects of alternative energy production, storage, distribution, conservation, and efficiency. Examples include fuel cells, thermoelectrics, photovoltaics, gas turbine propulsion systems, distribution and transmission systems based on superconductors, nuclear power generation and waste disposal. Ceramic integration technologies play a key role in fabrication and manufacturing of large and complex shaped parts with multifunctional properties. However, the development of robust and reliable integrated systems with optimum performance requires the understanding of many thermochemical and thermomechanical factors, particularly for high temperature applications. In this presentation, various needs, challenges, and opportunities in design, fabrication, and testing of integrated similar (ceramic ceramic) and dissimilar (ceramic metal) material www.nasa.gov 45 ceramic-ceramic-systems have been discussed. Experimental results for bonding and integration of SiC based Micro-Electro-Mechanical-Systems (MEMS) LDI fuel injector and advanced ceramics and composites for gas turbine applications are presented.

Singh, Mrityunjay↗

Covalent adaptable networks for electrolyte–binder integration in recyclable lithium metal batteries

Lithium-metal batteries (LMBs) are considered a promising next-generation energy storage technology due to their exceptionally high energy density. However, the development of solid polymer electrolytes and cathode binders for LMBs faces critical challenges, including interfacial instability, poor recyclability, and growing environmental concerns. In particular, current systems often rely on non-recyclable components featuring permanently crosslinked networks and polyfluoroalkyl substances (PFAS), such as poly(vinylidene fluoride) (PVDF), which cause battery waste and environmental harm. Herein, we introduce a multifunctional covalent adaptable network (CAN) platform based on thermally reversible Diels–Alder (DA) chemistry, designed for dual functionality as a CAN-based electrolyte (CAE) and a CAN-based cathode binder. The CAE achieves high ionic conductivity and strong storage modulus (1.4 mS cm −1 and ∼ 10 5 Pa at room temperature, respectively) and enables stable long-term cycling in symmetric Li||Li cells for over 2000 h with low overpotential. When it is applied as a cathode binder in LiFePO 4 (LFP) composite electrodes (C-LFP), the CAN matrix significantly reduces interfacial resistance and enhances discharge capacity compared to conventional PVDF-based systems. Thermal treatment induces self-healing at the cathode–electrolyte interface, further improving contact and yielding a discharge capacity of 150 mAh g −1 at 0.5 C. Moreover, the dynamic CAN architecture allows efficient recovery and reuse of lithium salts from spent electrolytes through retro-DA reactions under mild conditions (∼80 °C), establishing a low-energy, cost-effective recycling pathway. In conclusion, this work presents a scalable and sustainable strategy for high-performance LMBs by integrating recyclability, interfacial healing, and PFAS-free design, offering a holistic solution aligned with circular economy principles and next-generation battery demands.

Diels–Alder↗

A multifunctional technology platform for sorbent construction using polyacrylonitrile scaffolds

Polyacrylonitrile (PAN) is a synthetic polymer that shows high potential for use in a wide range of environmental remediation applications. PAN can be implemented in various ways within a batch or continuous process stream for use as a passive scaffold holding active gettering materials in place or where the PAN scaffold (e.g., beads, fiber mats, membranes) is functionalized with active chelating groups (e.g., amine, hydrazide, amidoximes, carboxyl). Application spaces covered in this review include remediation of heavy metals (e.g., Ag, As, Cd, Cr6+, Cu, Pb, Sb, and Se), high-dose fission products (e.g., 90Sr, 137Cs), radioiodine (i.e., 129I), noble gases (i.e., Xe, 85Kr), rare earths (e.g., Ce, Y), and actinides (e.g., Am, Pu, U). Methods for producing PAN composite sorbents are discussed. Options are also discussed for removing the PAN matrix following chemisorption of an active contaminant to minimize waste volumes requiring disposal.

polyacrylonitrile, composite sorbents, sulfides, a↗

Multifunctional Metal–Oxide Nanocomposite Thin Film with Plasmonic Au Nanopillars Embedded in Magnetic La 0.67 Sr 0.33 MnO 3 Matrix

Searching for multifunctional materials with tunable magnetic and optical properties has been a critical task toward the implementation of future integrated optical devices. Vertically aligned nanocomposite (VAN) thin films provide a unique platform for multifunctional material designs. In this work, a new metal–oxide VAN has been designed with plasmonic Au nanopillars embedded in a ferromagnetic La 0.67 Sr 0.33 MnO 3 (LSMO) matrix. Such Au–LSMO nanocomposite presents intriguing plasmon resonance in the visible range and magnetic anisotropy property, which are functionalized by the Au and LSMO phase, respectively. Furthermore, the vertically aligned nanostructure of metal and dielectric oxide results in the hyperbolic property for near-field electromagnetic wave manipulation. Such optical and magnetic response could be further tailored by tuning the composition of Au and LSMO phases.

36 MATERIALS SCIENCE↗

Needs and Opportunities in the Development of Advanced Materials and Manufacturing Methods for Future Long-Duration Human Space Exploration

Weight, functionality, and sustainability are all critical concerns for future, long-duration, human exploration of space. Exploration missions will be mass-limited, since the amount of supplies and instruments that future astronauts will be able to take with them will be limited by launch vehicle and spacecraft mass and efficiency. Astronauts will need to have the capability to repair or replace worn-out or broke hardware and produce new components to be able to function for long periods at locations far-removed from Earth. Ultra-lightweight, multifunctional materials will be required to enable significant reductions in launch vehicle, spacecraft, and habitat mass in order to maximize payload. "Mass-less Exploration" concepts must be developed that will recycle materials and waste and convert available planetary materials into new feedstock materials and utilize in-space additive manufacturing to use these materials to produce the

composites↗

Wind Tunnel Test of an RPV with Shape-Change Control Effector and Sensor Arrays

A variety of novel control effector concepts have recently emerged that may enable new approaches to flight control. In particular, the potential exists to shift the composition of the typical aircraft control effector suite from a small number of high authority, specialized devices (rudder, aileron, elevator, flaps), toward larger numbers of smaller, less specialized, distributed device arrays. The concept envisions effector and sensor networks composed of relatively small high-bandwidth devices able to simultaneously perform a variety of control functions using feedback from disparate data sources. To investigate this concept, a remotely piloted flight vehicle has been equipped with an array of 24 trailing edge shape-change effectors and associated pressure measurements. The vehicle, called the Multifunctional Effector and Sensor Array (MESA) testbed, was recently tested in NASA Langley's 12-ft Low Speed wind tunnel to characterize its stability properties, control authorities, and distributed pressure sensitivities for use in a dynamic simulation prior to flight testing. Another objective was to implement and evaluate a scheme for actively controlling the spanwise pressure distribution using the shape-change array. This report describes the MESA testbed, design of the pressure distribution controller, and results of the wind tunnel test.

Raney, David L.↗