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Results for “multifunctionality”

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 901 records · Page 50
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Tuning Nb–Pt Interactions To Facilitate Fuel Cell Electrocatalysis

High stability, availability of multiple oxidation states, and accessibility within a wide electrochemical window are the prime features of Nb that make it a favorable candidate for electrocatalysis, especially when it is combined with Pt. However, Nb has been used as a support in the form of oxides in all previously reported Pt–Nb electrocatalysts, and no Pt–Nb alloying phase has been demonstrated hitherto. Herein, we report a multifunctional Pt–Nb composite (PtNb/NbOx-C) where Nb exists both as an alloying component with Pt and as an oxide support and is synthesized by means of a simple wet chemical method. In this work, the Pt–Nb alloy phase has been firmly verified with the help of multiple spectroscopic methods. This allows for the experimental evidence of the theoretical prediction that Pt–Nb alloy interactions improve the oxygen reduction reaction (ORR) activity of Pt. In addition, such a combination of multiphase Nb brings up myriad features encompassing increased ORR durability, immunity to phosphate anion poisoning, enhanced hydrogen oxidation reaction (HOR) activity, and oxidative carbon monoxide (CO) stripping, making this electrocatalyst useful in multiple fuel cell systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Shear Thickening Electrolytes for High Impact Resistant Batteries

In this paper, we demonstrate a shear thickening electrolyte that stiffens into a solid-like barrier during a high energy event, like a car crash. This barrier prevents the electrodes from shorting during an impact, reducing the risk of fire or catastrophic safety events. In addition, we have demonstrated the ability to cycle NMC/graphite lithium ion cells over 200 cycles with no loss of capacity after formation. Finally, this chemistry introduces multifunctionality to a material previously feared due to its flammability.

25 ENERGY STORAGE↗
DOE OSTI2018

The Predominance of Hydrogen Evolution on Transition Metal Sulfides and Phosphides under CO 2 Reduction Conditions: An Experimental and Theoretical Study

Here, a combination of experiment and theory has been used to understand the relationship between the hydrogen evolution reaction (HER) and CO 2 reduction (CO 2 R) on transition metal phosphide and transition metal sulfide catalysts. Although multifunctional active sites in these materials could potentially improve their CO 2 R activity relative to pure transition metal electrocatalysts, under aqueous testing conditions, these materials showed a high selectivity for the HER relative to CO 2 R. Computational results supported these findings, indicating that a limitation of the metal phosphide catalysts is that the HER is favored thermodynamically over CO 2 R. On Ni-MoS2, a limitation is the kinetic barrier for the proton–electron transfer to *CO. These theoretical and experimental results demonstrate that selective CO 2 R requires electrocatalysts that possess both favorable thermodynamic pathways and surmountable kinetic barriers.

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

Stable Li Metal Anode by a Hybrid Lithium Polysulfidophosphate/Polymer Crosslinking Film

The practical application of rechargeable lithium (Li) metal batteries has long been hindered by the unstable Li metal anode with problems like Li dendrite growth, low Coulombic efficiency (CE), and short cycle life. Here, we demonstrate a multifunctional sulfur-containing hybrid Li polysulfidophosphate and poly(2-chloroethyl acrylate) cross-linking film that can provide effective protection for Li metal anode. This film can facilitate Li metal anode generating a stable organic/inorganic hybrid solid electrolyte interphase (SEI) layer containing multiple components such as polymer-tethered organo(poly)sulfide, inorganic Li polysulfidophosphate, Li sulfides, and Li salts. Thanks to this hybrid robust SEI layer, dendrite-free Li deposition and stable cycling of Li metal anode can be achieved (e.g. CE >98.7% over 950 cycles). We demonstrated this Li protection technique enables both the protected Li metal anode and Li-metal-free anode cycling with significantly improved CEs and stability in full cells using LiFePO 4 (~2.4 mAh/cm 2 ) cathode.

25 ENERGY STORAGE↗
DOE OSTI2021

Pore-Confined Polymers Enhance the Thermal Conductivity of Polymer Nanocomposites

In this work, molecularly confined polymer fillers in nanopores were found to give superior mechanical properties of polymer nanocomposites. In this work, we study the thermal conductivity of such nanocomposites and unveil the effect of polymer confinement on thermal conductivity. Using the time-domain thermoreflectance method, we measure the cross-plane thermal conductivity of polymer nanocomposites that consist of polystyrene fillers confined within a nanoporous organosilicate matrix. Compared to unconfined bulk polystyrene fillers, we find that pore-confined polystyrene fillers enhance the thermal conductivity of the polymer nanocomposites. This enhancement is attributed to the better aligned and less entangled chains in the confined phase, where chain–chain phonon scatterings are reduced. Our work provides essential insights into the thermal conductivity of polymer nanocomposites for multifunctional thermal and mechanical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Rigid Oligomer from Lignin in Designing of Tough, Self-Healing Elastomers

Here, converting lignin into well-defined compounds is often challenged by structural complexation and inorganic contamination induced by the pulping process. In this report, instead of breaking down lignin into small molecules, we extracted a uniform and rigid oligomer from the lignin waste stream. The multifunctional polyphenol oligomer containing carboxylic acid, alcohol, and phenol groups is highly reactive and brings stiffness into the material matrix. Tough and self-healing elastomers are economically prepared from this oligomer by a reaction with epoxy-terminated polyethylene glycol, without needing any solvent. Specifically, the polyaromatic backbone’s rigidity enhances the elastomer’s toughness, and the multiple polar substituents form a network of hydrogen bonding that heals the elastomer. Many other applications, including adhesives, hydrogels, coating, and metal scavengers, are envisioned based on this oligomer’s unique properties.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Molecular Architecture Directs Linear–Bottlebrush–Linear Triblock Copolymers to Self-Assemble to Soft Reprocessable Elastomers

Linear–bottlebrush–linear (LBBL) triblock copolymers represent an emerging system for creating multifunctional nanostructures. Their self-assembly depends on molecular architecture but remains poorly explored. We synthesize polystyrene- block -bottlebrush polydimethylsiloxane- block -polystyrene triblock copolymers with controlled molecular architecture and use them as a model system to study the self-assembly of LBBL polymers. Unlike classical stiff rod-flexible linear block copolymers that are prone to form highly ordered nanostructures such as lamellae, at small weight fractions of the linear blocks, LBBL polymers self-assemble to a disordered sphere phase, regardless of the bottlebrush stiffness. Microscopically, characteristic lengths increase with the bottlebrush stiffness by a power of 2/3, which is captured by a scaling analysis. Macroscopically, the formed nanostructures are ultrasoft, reprocessable elastomers with shear moduli of about 1 kPa, two orders of magnitude lower than that of conventional polydimethylsiloxane elastomers. Our results provide insights on exploiting the self-assembly of LBBL polymers to create soft functional nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Confinement-Driven Segregation Enables Glassy Polymer Hybrid Materials Featuring Disordered Hyperuniformity and Integrated Self-Healing

The blending of glassy copolymer-brush modified colloids with a viscoelastic linear copolymer featuring intrinsic self-healing enabled disordered hyperuniform hybrid materials that combined mechanical robustness with structural color, processability, environmental stability, and the ability to recover structure and properties after incurring physical damage via ‘integrated self-healing’. Symmetric linear n-butyl acrylate/methyl methacrylate (BA/MMA) were co-assembled with asymmetric glassy BA/MMA statistical copolymer brush (silica) particles. ‘Confinement-driven segregation’ resulted in a microphase-separated morphology in which the linear copolymer resided within the interstitial regions of a rigid (∼1 GPa) copolymer brush particle template with disordered hyperuniform microstructure. Diffusion of the self-healing copolymer additive into damage regions drove the recovery after damage, along with the restoration of structural color due to the materials hyperuniform microstructure. The synergistic action of intrinsic and extrinsic healing mechanisms could provide a versatile platform for the bottom-up fabrication of multifunctional hybrid materials with increased damage resistance and functional longevity.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Emission Control from Transition Metal Dichalcogenide Monolayers by Aggregation-Induced Molecular Rotors

Organic–inorganic (O–I) heterostructures, consisting of atomically thin inorganic semiconductors and organic molecules, present synergistic and enhanced optoelectronic properties with a high tunability. Here, we develop a class of air-stable vertical O–I heterostructures comprising a monolayer of transition-metal dichalcogenides (TMDs), including WS 2 , WSe 2 , and MoSe 2 , on top of tetraphenylethylene (TPE) core-based aggregation-induced emission (AIE) molecular rotors. The created O–I heterostructures yields a photoluminescence (PL) enhancement of up to ~950%, ~500%, and ~330% in the top monolayer WS 2 , MoSe 2 , and WSe 2 as compared to PL in their pristine monolayers, respectively. The strong PL enhancement is mainly attributed to the efficient photogenerated carrier process in the AIE luminogens (courtesy of their restricted intermolecular motions in the solid state) and the charge-transfer process in the created type I O–I heterostructures. Moreover, we observe an improvement in photovoltaic properties of the TMDs in the heterostructures including the quasi-Fermi level splitting, minority carrier lifetime, and light absorption. Overall, this work presents an inspiring example of combining stable, highly luminescent AIE-based molecules, with rich photochemistry and versatile applications, with atomically thin inorganic semiconductors for multifunctional and efficient optoelectronic devices.

14 SOLAR ENERGY↗
DOE OSTI2020

Reconfiguring DNA Nanotube Architectures via Selective Regulation of Terminating Structures

Molecular assemblies inside cells often undergo structural reconfiguration in response to stimuli to alter their function. Adaptive reconfiguration of cytoskeletal networks, for example, enables cellular shape change, movement, and cargo transport and plays a key role in driving complex processes such as division and differentiation. The cellular cytoskeleton is a self-assembling polymer network composed of simple filaments, so reconfiguration often occurs through the rearrangement of its component filaments’ connectivities. DNA nanotubes have emerged as promising building blocks for constructing programmable synthetic analogs of cytoskeletal networks. Nucleating seeds can control when and where nanotubes grow and capping structures can bind nanotube ends to stop growth. Such seeding and capping structure, collectively called termini, can organize nanotubes into larger architectures. However, these structures cannot be selectively activated or inactivated in response to specific stimuli to rearrange nanotube architectures, a key property of cytoskeletal networks. Here we demonstrate how selective regulation of the binding affinity of DNA nanotube termini for DNA nanotube monomers or nanotube ends can direct the reconfiguration of nanotube architectures. Using DNA hybridization and strand displacement reactions that specifically activate or inactivate four orthogonal nanotube termini, we demonstrate that nanotube architectures can be reconfigured by selective addition or removal of unique termini. Lastly, we show how terminus activation could be a sensitive detector and amplifier of a DNA sequence signal. These results could enable the development of adaptive and multifunctional materials or diagnostic tools.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Nanoscale Control of Polar Surface Phases in Layered van der Waals CuInP 2 S 6

Antiferroelectric (AFE) materials, in which alternating dipole moments cancel out to a zero net macroscopic polarization, can be used for high-density energy storage and memory applications. The AFE phase can exist in bulk CuInP 2 Se 6 , CuBiP 2 S 6 , and a few other transition-metal thiophosphates below 200 K. The required low temperature poses challenges for practical applications. In this work, we report the coexistence of ferrielectric (FE) states and a stable surface phase that does not show piezoelectric response (“zero-response phase”) in bulk CuInP 2 S 6 at room temperature. Using piezoresponse force microscopy (PFM) tomographic imaging together with density functional theory, we find that direct and alternating voltages can locally and stably convert FE to zero-response phases and vice versa. While PFM loops show pinched hystereses reminiscent of antiferroelectricity, PFM tomography reveals that the zero-response areas form only on top of the FE phase in which the polarization vector is pointing up. Theoretical calculations suggest that the zero-response phase may correspond to AFE ordering where stacked CuInP 2 S 6 layers have alternating polarization orientations thereby leading to a net-zero polarization. Consistent with experimental findings, theory predicts that the FE polarization pointing down is robust up to the top surface, whereas FE polarization pointing up energetically favors the formation of an AFE surface layer, whose thickness is likely to be sensitive to local strains. AFE order is likely to be more robust against detrimental size effects than polar order, therefore providing additional opportunities to create multifunctional heterostructures with 2D electronic materials.

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

Residual Strain and Nanostructural Effects during Drying of Nanocellulose/Clay Nanosheet Hybrids: Synchrotron X-ray Scattering Results

Cellulose nanofibrils (CNF) with 2D silicate nanoplatelet reinforcement readily form multifunctional composites by vacuum-assisted self-assembly from hydrocolloidal mixtures. The final nanostructure is formed during drying. The crystalline nature of CNF and montmorillonite (MTM) made it possible to use synchrotron X-ray scattering (WAXS, SAXS) to monitor structural development during drying from water and from ethanol. Nanostructural changes in the CNF and MTM crystals were investigated. Changes in the out-of-plane orientation of CNF and MTM were determined. Residual drying strains previously predicted from theory were confirmed in both cellulose and MTM platelets due to capillary forces. The formation of tactoid platelet stacks could be followed. We propose that after filtration, the constituent nanoparticles in the swollen, solid gel already have a “fixed” location, although self-assembly and ordering processes take place during drying.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Directing Charge Carriers and Ferroelectric Domains at Lateral Interfaces in van der Waals Heterostructures

Emergent phenomena in traditional ferroelectrics are frequently observed at heterointerfaces. Accessing such functionalities in van der Waals ferroelectrics requires the formation of layered heterostructures, either vertically stacked (similar to oxide ferroelectrics) or laterally stitched (without equivalent in 3D-crystals). Here, we investigate lateral heterostructures of the ferroelectric van der Waals semiconductors SnSe and SnS. A two-step process produces ultrathin crystals comprising an SnSe core laterally joined to an SnS edge-band, as confirmed by Raman spectroscopy, transmission electron microscopy (TEM) imaging, and electron diffraction. TEM shows a moiré pattern across the SnSe core due to coverage by an ultrathin SnS layer. The ability of the lateral interface (IF) to direct excited carriers, probed by cathodoluminescence, shows electron transfer over 560 nm diffusion length from the SnS edge-band. Large, thin flakes supporting ferroelectricity allow investigating domains and domain wall interactions in uniform crystals and lateral heterostructures. Polarized optical microscopy of sub-20 nm flakes consistently shows ⟨110⟩ oriented stripe domains with mirror-twin domain walls. Heterostructures adopt two domain configurations, with domains either constrained to the SnSe core or propagating across the entire SnSe–SnS flakes. Furthermore, the combined results demonstrate multifunctional van der Waals heterostructures with high-quality IFs presenting extraordinary opportunities for manipulating carrier flows and ferroelectric domain patterns.

2D ferroelectrics↗
DOE OSTI2025

Shape Anisotropy-Dependent Leaking in Magnetic Neurons for Bio-Mimetic Neuromorphic Computing

Spiking neural networks seek to emulate biological computation through interconnected artificial neuron and synapse devices. Spintronic neurons can leverage magnetization physics to mimic biological neuron functions, such as integration tied to magnetic domain wall (DW) propagation in a patterned nanotrack and firing tied to the resistance change of a magnetic tunnel junction (MTJ), captured in the domain wall-magnetic tunnel junction (DW-MTJ) device. Leaking, relaxation of a neuron when it is not under stimulation, is also predicted to be implemented based on DW drift as a DW relaxes to a low energy position, but it has not been well explored or demonstrated in device prototypes. Here, in this work, we study DW-MTJ artificial neurons capable of leaky integrate-and-fire (LIF) behavior and demonstrate geometry-dependent leaking dynamics that results in repeatable, tunable LIF operation. Studying the behavior of five different device designs, we show tuning the geometry, stimulating fields and currents, and location of electrical contacts results in a wide range of neuron behavior. Additionally, implementation of an asymmetric notch allows for nonlinear pinning which increased expressivity without sacrificing leaking. The measured behavior is implemented in a simulated spiking neural network that outperforms a 1D model of continuous DW motion and approaches the performance of an ideal LIF activation function. The results show that the analog LIF capability of DW-MTJ neurons combines many desirable neuron functions into a single device, which can result in varied forms of multifunctional neuromorphic computing.

42 ENGINEERING↗
DOE OSTI2025

Field-Driven Out-of-Equilibrium Collective Patterns for Swarm Micro-Robotics

Soft robotics has been rapidly advancing, offering significant improvements over traditional rigid robotic systems through the use of compliant materials that enhance adaptability and interaction with the environment. However, current approaches face critical challenges, including the reliance on complex “top-down” fabrication techniques and the difficulty of wireless powering and control at the microscale. Swarm robotics introduces a paradigm shift, leveraging collective dynamics to achieve cooperative and adaptable behaviors among multiple robotic units. Inspired by nature, this “bottom-up” approach enables swarm robots to execute task-specific reconfigurations, enhancing flexibility and robustness. Field-driven active colloids emerge as a promising platform for swarm microrobotics, capable of self-propulsion and self-organization into dynamic collective patterns under external field excitation and manipulation. These systems mimic biologically inspired swarm behaviors, such as flocking and vortex formation, providing a versatile foundation for designing innovative swarm microrobots. Here, this review discusses the principles of electric and magnetic field-driven collective self-organization, focusing on the particle dynamics, the emergence of collective swarm patterns, and illustrative examples of functional swarm microrobots. It concludes with future perspectives on harnessing these systems for adaptive, scalable, and multifunctional microrobotic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Light-Matter Interaction in Ultrastable Tunneling Nanogaps

Light emission and detection through tunnel junctions have emerged as a promising platform for studying nanoscale light–matter interactions, including electroluminescence and photoassisted transport. However, controlling these interactions in the tunneling regime has been challenging due to complex underlying mechanisms that remain poorly understood. A major obstacle is the difficulty in forming stable junctions that can function reliably over extended periods. In this study, we fabricate ultrastable tunneling junctions consisting of epitaxial indium–tin-oxide, epitaxial lutetium oxide, and gold. With their stable and consistent tunneling currents, we investigate photon-assisted transport phenomena using simple direct-current detection. Our results demonstrate that optical rectification is the primary contributor to the laser-induced current, alongside thermal effects and hot-electron currents. Furthermore, owing to their epitaxial nature and high breakdown threshold, this ultrastable platform holds promise for future real-world applications, including nanoscale light sources and multifunctional photodetectors.

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

Controlling the Infrared Dielectric Function through Atomic-Scale Heterostructures

Surface phonon polaritons (SPhPs), the surface-bound electromagnetic modes of a polar material resulting from the coupling of light with optic phonons, offer immense technological opportunities for nanophotonics in the infrared (IR) spectral region. However, once a particular material is chosen, the SPhP characteristics are fixed by the spectral positions of the optic phonon frequencies. Here, we provide a demonstration of how the frequency of these optic phonons can be altered by employing atomic-scale superlattices (SLs) of polar semiconductors using AlN/GaN SLs as an example. Using second harmonic generation (SHG) spectroscopy, we show that the optic phonon frequencies of the SLs exhibit a strong dependence on the layer thicknesses of the constituent materials. Furthermore, new vibrational modes emerge that are confined to the layers, while others are centered at the AlN/GaN interfaces. As the IR dielectric function is governed by the optic phonon behavior in polar materials, controlling the optic phonons provides a means to induce and potentially design a dielectric function distinct from the constituent materials and from the effective-medium approximation of the SL. We show that atomic-scale AlN/GaN SLs instead have multiple Reststrahlen bands featuring spectral regions that exhibit either normal or extreme hyperbolic dispersion with both positive and negative permittivities dispersing rapidly with frequency. Apart from the ability to engineer the SPhP properties, SL structures may also lead to multifunctional devices that combine the mechanical, electrical, thermal, or optoelectronic functionality of the constituent layers. We propose that this effort is another step toward realizing user-defined, actively tunable IR optics and sources.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Photothermal Properties of Nanostructured Black Titanium Dioxide for Targeted Cellular and Microbial Elimination

Heterophase black titanium dioxide (hB-TiO 2 ), characterized by broadened near-infrared (NIR) absorption, has emerged as a promising photothermally active nanomaterial. This study focused on the synthesis of nanoscale hB-TiO 2 and its evaluation as a multifunctional agent for photothermal therapy (PTT). The purity and composition of the mixed-phase nanoscale hB-TiO 2 were demonstrated by X-ray diffraction, and the morphology of nanoparticles was imaged by transmission electron microscopy. Extensive additional characterization was conducted to validate the optoelectronic properties. The material was further evaluated in biological systems using NIH 3T3-GFP fibroblasts and the fungus Candida albicans. Nanoscale hB-TiO 2 exhibited good biocompatibility in the absence of laser irradiation and effectively ablated both NIH 3T3-GFP cells and C. albicans following 20 min of laser exposure. This noninvasive treatment strategy leverages NIR-responsive materials to induce localized hyperthermia. The findings provide grounds for the use of selectively induced hyperthermia, which could be employed for the targeted destruction of cells or fungi with minimal impact on surrounding tissue if the material is functionalized with specific targeting groups and delivered to cells or fungal infections.

Irradiation↗