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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Fabrication of Piezoelectric Polymer and Metal–Organic Framework Composite Thin Films Using Solution Shearing

Polymer-metal–organic framework (polymer-MOF) composites have garnered significant interest as polymers can enhance the processability and industrial applicability of MOFs. Thin films of these composites are particularly attractive for applications in sensing, separations, and flexible electronics. Solution shearing, a meniscus-guided coating technique, has emerged as a scalable process for fabricating thin films of MOFs, and can produce large-area films within minutes. In this study, we utilized solution shearing to fabricate composite thin films of a MOF UiO-66 and a piezoelectric polymer poly(vinylidene fluoride-trifluoroethylene) (P(VDF-TrFE)), investigating how polymer concentration during MOF synthesis and composite formation influences thin film properties, including crystallinity, surface coverage, and piezoelectric performance. Additionally, solid-state NMR spectroscopy was utilized to probe the interactions between P(VDF-TrFE) and UiO-66 in the composite. Evidence from solid-state NMR indicated polymer-MOF interactions, suggesting that the polymer strands are in close proximity to the UiO-66 pores, supporting a mixed surface coating and pore infiltration model. Furthermore, incorporating P(VDF-TrFE) enhanced the film’s areal coverage from 70% to 100%. While the thermal conductivity remained essentially unchanged, the composite film showed an improved piezoelectric effect. The composite with 91 wt % P(VDF-TrFE) exhibited the highest output voltage of 9.1 V and a sensitivity of 0.26 V/N under applied pressure. This work demonstrates the potential of solution shearing as a scalable technique for fabricating polymer-MOF composite thin films.

P(VDF-TrFE)↗
DOE OSTI2020

Effect of Molecular Weight and Layer Thickness on Dielectric Breakdown Strength of Neat and Homopolymer Swollen Lamellar Block Copolymer Films

Designing next-generation lightweight pulsed power devices hinges on understanding the factors influencing the energy storage performance of dielectric materials. Polymer dielectric films have a quadratic dependence of energy storage on the voltage breakdown strength and strategies to enhance the breakdown strength are expected to yield a path toward high energy storage densities. Highly stratified lamellar block copolymer (L-BCP) films of model polystyrene-b-polymethylmethacrylate (PS-b-PMMA) exhibited as much as ~50% enhancement in breakdown voltage (E BD ), (225 % increase in stored energy density, U~ E BD 2 ), compared to unordered as-cast L-BCP films. Such an energy density using amorphous polymer is on par with industry-standard semi-crystalline biaxially oriented polypropylene (BOPP), and as such a notable development in the field. This work develops a deeper understanding of the molecular mechanisms of E BD enhancement in L-BCP films, due to combination of interface formation and spatial isolation of the chain ends into segregated zones. We further confirm the role of chain ends in the breakdown process blending a low M n L-BCP with matched M n homopolymers to attain same layer spacing as neat L-BCP of higher M n . E BD shows a significant decrease at low homopolymer fractions due to increased net chain end density within swollen ordered L-BCP domains in wet-brush regime, followed by increased E BD due to layer thickness increase via segregated “interphase layer” formation by excess homopolymers. Notably, E BD of homopolymer swollen L-BCPs is always lower than neat L-BCP of the same domain spacing, due to overall adverse chain ends contribution from homopolymers. These findings provide important selection rules for L-BCPs for designing next-generation flexible electronics with high energy density solid-state BCP film capacitors.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Adhesion of Self-Complementary, Sinusoidal Surfaces Fabricated Using Two-Photon Polymerization

Microscale, pick-and-place assembly is a non-lithographic assembly method poised to impact diverse fields including flexible electronics, microfluidics and robotics. However, a major technological challenge is the need to deterministically control adhesion between parts. Here, switchable adhesion involving 3D-printed, self-complementary surfaces is demonstrated. Mechanical properties of metasurfaces pressed against flat, rigid substrates are modeled using finite element methods. A series of flat slabs and metastructured slabs with 2D sinusoidal surfaces are printed using two-photon polymerization (2PP) of a shape-memory resin. The surface frequency of featured slabs was varied between $3.\bar3$ mm −1 and $26.\bar6$ mm −1 with similar amplitudes. Adhesion between printed metasurfaces and glass and between printed, self-complementary metasurfaces is studied above and below the cured resin’s glass transition temperature (∼45 °C). Simple heating of adhering surfaces to above 60 °C lowers adhesion, and compression of surfaces while above the glass transition temperature followed by cooling to room temperature elevates adhesion. The nominal adhesive strength between printed, self-complementary surfaces, as determined by the maximum observable pull-off stress, exceeds 3 MPa. Further tailoring complementary surfaces for adhesion control may facilitate microscale disassembly for recovery of components or precious metals.

amorphous materials↗
DOE OSTI2020

Colloidal Quantum Dot Photovoltaics: Current Progress and Path to Gigawatt Scale Enabled by Smart Manufacturing

Colloidal quantum dots (QDs) have lately been pursued with intense vigor for optoelectronic applications such as photovoltaics (PV), flexible electronics, displays, mid-infrared photodetectors, lasers, and single-photon emitters. These nanometer-sized semiconducting crystals can be suitably mass-produced and size-tuned via cost-effective solution-based synthetic routes to operate in the quantum size confinement regime, endowing them with a wide array of exotic optical and electronic properties. While the first potential market entry could be in displays and in niche applications such as “internet-of-things”, ultimately, the technology has the potential to influence large-scale terrestrial power generation, because it is amenable to high-throughput synthesis from Earth-abundant materials and large-area solution-based coating techniques and can be air-stable. In this Review, we chronicle the recent advances that have propelled QD PV toward commercialization and highlight potential areas for further progress. We present an account of the material compositions being explored as QDs and their various benefits, major chemical passivation and doping strategies that have been developed to allay QD surface traps, and advanced device designs deployed to maximize charge extraction. We also discuss pathways to >20% efficient QD PV and describe recent advances in high-precision and autonomous synthesis of such materials. With recent demonstrations of scalable synthesis of high-quality QDs, smart manufacturing of QDs and QD solids, and fabrication of stable solar cells under ambient conditions, we suggest that the technology is on the road to achieving maturity and technological relevance and that gigawatt per year distributed panel production sites may be within reach.

14 SOLAR ENERGY↗
DOE OSTI2025

Mechanical Toughening of Two-Dimensional Covalent Organic Frameworks Enabled by Graphene-Based Sandwich-Structured Nanocomposites

Low resistance to fracture in two-dimensional covalent organic frameworks (2D COFs) limits their practical applications, especially in mechanically demanding fields, such as flexible electronics and sensing devices. We address this critical limitation by fabricating a sandwich-structured nanocomposite consisting of graphene layers sandwiched between 2D COF layers (2D COFs/graphene/2D COFs) via chemical vapor deposition. Here, our sandwich-structured nanocomposites exhibit a remarkable improvement in modulus E, fracture toughness K IC , and critical energy release rate G C compared to pure 2D COFs. This enhancement is likely due to the graphene layers as the backbone of the sandwich structure effectively carrying and redistributing mechanical stress within the nanocomposite. Our findings demonstrate that a sandwich structure can improve the mechanical robustness of a 2D COF so that it can preserve the functionality and mechanical integrity for applications in stretchable electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Strong Effect of B-Site Substitution on the Reactivity of Layered Perovskite Oxides Probed via Isopropanol Conversion

Perovskite oxides have exhibited promising catalytic performance in photocatalysis, electrocatalysis, and thermocatalysis, and the performance can be potentially enhanced by tuning their flexible electronic and crystal structure. The B cations play essential roles in altering the inherent electronic structure and catalytic activity of these perovskite and related layered perovskite oxides. In this work, we establish the relationship of composition (electronic structure) and activity/selectivity of layered perovskites for pure and B-site-substituted Sr 2 Sn 1–x Ru x O 4 (0 ≤ x ≤ 1). The isopropanol decomposition was chosen as the probe reaction because its divergent reaction pathways through either dehydration or dehydrogenation are sensitive to the solid-state properties of the metal oxide surface. Both parent layered perovskite oxides of Sr 2 SnO 4 and Sr 2 RuO 4 exhibited decent conversion (20%–30%) and selectivity (>80%) to acetone through dehydrogenation pathways over a temperature range of 280–320 °C under atmospheric pressure, while the substituted perovskites, even with 10 at. % substitution of Ru at the B-site showed remarkable enhancement for both activity and selectivity toward acetone. Further, by varying the dopant concentration linearly, both activity and selectivity showed a volcano-shaped dependency on the atomic concentration of the substituent. Overall, the Sr 2 Sn 0.3 Ru 0.7 O 4 had the best yield of acetone, which may be ascribed to the optimal eg filling state of the B site for appropriate B–O bond strength during oxygenate adsorption. The current research provides a guide to the rational design of perovskite oxide catalysts for efficient chemical transformation.

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

Strong and Tough Cellulose Nanofibrils Composite Films: Mechanism of Synergetic Effect of Hydrogen Bonds and Ionic Interactions

Cellulose nanofibrils (CNFs) have been exploited for different applications, such as nanocomposites, gas separation, flexible electronics, and fuel cells, due to their unique properties. To fulfill different demands regarding the utilization of CNFs, one critical step is to develop strong and tough CNF composites. In this study, facile synthesis of strong and tough nanocellulose films was demonstrated using a strategy that employs the synergetic effect of hydrogen bonds and ionic interactions in the films. With the addition of chitosan (CS) and copper ion (Cu 2+ ), the tensile strength and Young’s modulus of the newly developed film (CNF-CS-Cu) increased by 104% and 75%, respectively; more impressively, the toughness of CNF-CS-Cu improved by 560% compared to pure CNF. The hydrogen bonds and ionic interactions in the films were verified by attenuated total reflectance infrared spectroscopy, Raman spectroscopy, and X-ray photoelectron spectroscopy. Results confirmed that the combination of hydrogen bonds and ionic interactions could yield much better performance in nanocellulose films. The development of facile, low-cost, scalable, and ecofriendly processing methods and formulations for the fabrication of strong nanocellulose-based films are essential and would significantly impact widespread utilization of such materials for a variety of applications requiring high performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Electrolessly Deposited Electrospun Metal Nanowire Transparent Electrodes

Metal nanowire (MNW) transparent electrodes have been widely developed for their promising sheet resistance (Rs)–transmittance (T) performance, excellent mechanical flexibility, and facile synthesis. How to lower the junction resistance without compromising optical transmittance has become the key issue in enhancing their performance. Here we combine electrospinning and electroless deposition to synthesize interconnected, ultralong MNW networks. For both silver and copper nanowire networks, the Rs and T values reach around 10 Ω/sq and 90%, respectively. This process is scalable and takes place at ambient temperature and pressure, which opens new opportunities for flexible electronics and roll-to-roll large-scale manufacturing.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Synthesis, Hole Doping, and Electrical Properties of a Semiconducting Azatriangulene-Based Covalent Organic Framework

Two-dimensional covalent organic frameworks (2D COFs) containing heterotriangulenes have been theoretically identified as semiconductors with tunable, Dirac-cone-like band structures, which are expected to afford high charge-carrier mobilities ideal for next-generation flexible electronics. However, few bulk syntheses of these materials have been reported, and existing synthetic methods provide limited control of network purity and morphology. Here, we report transimination reactions between benzophenone-imine-protected azatriangulenes (OTPA) and benzodithiophene dialdehydes (BDT), which afforded a new semiconducting COF network, OTPA-BDT. The COFs were prepared as both polycrystalline powders and thin films with controlled crystallite orientation. Here, the azatriangulene nodes are readily oxidized to stable radical cations upon exposure to an appropriate p type dopant, tris(4-bromophenyl)ammoniumyl hexachloroantimonate, after which the network’s crystallinity and orientation are maintained. Oriented, hole-doped OTPA-BDT COF films exhibit electrical conductivities of up to 1.2 × 10 –1 S cm –1 , which are among the highest reported for imine-linked 2D COFs to date.

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

Mixed Enthalpy–Entropy Descriptor for the Rational Design of Synthesizable High-Entropy Materials Over Vast Chemical Spaces

The practically unlimited high-dimensional composition space of high-entropy materials (HEMs) has emerged as an exciting platform for functional material design and discovery. However, the identification of stable and synthesizable HEMs and robust design rules remains a daunting challenge. Here, we propose a mixed enthalpy–entropy descriptor (MEED) that enables highly efficient, robust, high-throughput prediction of synthesizable HEMs across vast chemical spaces from first-principles. The MEED is based on two parameters: the relative formation enthalpy with respect to the most stable competing compound and the spread of the point-defect formation energy spectrum. The former measures the relative synthesizability of an HEM to its most stable competing phase, going beyond the conventional thermodynamic understanding. Further, the latter gauges the relative entropy forming ability of an HEM, entailing no sampling over numerous alloy configurations. By applying the MEED to two structurally distinct representative material systems (i.e., 3D rocksalt carbides and 2D layered sulfides), we not only successfully identify all experimentally reported HEMs within these systems but also reveal a cutoff criterion for assessing their relative synthesizability within each system. By the MEED, tens of new high-entropy carbides and 2D high-entropy sulfides are also predicted, which have the potential for a wide variety of applications such as coating in aerospace devices, energy conversion and storage, and flexible electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Surface-Induced Hybridization between Graphene and Titanium

Carbon-based materials such as graphene sheets and carbon nanotubes have inspired a broad range of applications ranging from high-speed flexible electronics all the way to ultrastrong membranes. However, many of these applications are limited by the complex interactions between carbon-based materials and metals. In this work, we experimentally investigate the structural interactions between graphene and transition metals such as palladium (Pd) and titanium (Ti), which have been confirmed by density functional simulations. We find that the adsorption of titanium on graphene is more energetically favorable than in the case of most metals, and density functional theory shows that a surface induced p-d hybridization occurs between atomic carbon and titanium orbitals. This strong affinity between the two materials results in a short-range ordered crystalline deposition on top of graphene as well as chemical modifications to graphene as seen by Raman and X-ray photoemission spectroscopy (XPS). This induced hybridization is interface-specific and has major consequences for contacting graphene nanoelectronic devices as well as applications toward metal-induced chemical functionalization of graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Strain effects on the work function of an organic semiconductor

Establishing fundamental relationships between strain and work function (WF) in organic semiconductors is important not only for understanding electrical properties of organic thin films, which are subject to both intrinsic and extrinsic strains, but also for developing flexible electronic devices. Here we investigate tensile and compressive strain effects on the WF of rubrene single crystals. Mechanical strain induced by thermal expansion mismatch between the substrate and rubrene is quantified by X-ray diffraction. The corresponding WF change is measured by scanning Kelvin probe microscopy. The WF of rubrene increases (decreases) significantly with in-plane tensile (compressive) strain, which agrees qualitatively with density functional theory calculations. An elastic-to-plastic transition, characterized by a steep rise of the WF, occurs at ~0.05% tensile strain along the rubrene π-stacking direction. Lastly, the results provide the first concrete link between mechanical strain and WF of an organic semiconductor and have important implications for understanding the connection between structural and electronic disorder in soft organic electronic materials.

36 MATERIALS SCIENCE↗
DOE OSTI2017

3D calcite heterostructures for dynamic and deformable mineralized matrices

Scales are rooted in soft tissues, and are regenerated by specialized cells. The realization of dynamic synthetic analogues with inorganic materials has been a significant challenge, because the abiological regeneration sites that could yield deterministic growth behavior are hard to form. Here we overcome this fundamental hurdle by constructing a mutable and deformable array of three-dimensional calcite heterostructures that are partially locked in silicone. Individual calcite crystals exhibit asymmetrical dumbbell shapes and are prepared by a parallel tectonic approach under ambient conditions. Furthermore, the silicone matrix immobilizes the epitaxial nucleation sites through self-templated cavities, which enables symmetry breaking in reaction dynamics and scalable manipulation of the mineral ensembles. With this platform, we devise several mineral-enabled dynamic surfaces and interfaces. For example, we show that the induced growth of minerals yields localized inorganic adhesion for biological tissue and reversible focal encapsulation for sensitive components in flexible electronics.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Harnessing mechanical instabilities at the nanoscale to achieve ultra-low stiffness metals

Alloy and microstructure optimization have led to impressive improvements in the strength of engineering metals, while the range of Young’s moduli achievable has remained essentially unchanged. This is because stiffness is insensitive to microstructure and bounded by individual components in composites. Here we design ultra-low stiffness in fully dense, nanostructured metals via the stabilization of a mechanically unstable, negative stiffness state of a martensitic alloy by its coherent integration with a compatible, stable second component. Explicit large-scale molecular dynamics simulations of the metamaterials with state of the art potentials confirm the expected ultra-low stiffness while maintaining full strength. We find moduli as low as 2 GPa, a value typical of soft materials and over one order of magnitude lower than either constituent, defying long-standing composite bounds. Furthermore, such properties are attractive for flexible electronics and implantable devices. Our concept is generally applicable and could significantly enhance materials science design space.

36 MATERIALS SCIENCE↗
DOE OSTI2020

In-situ structure and catalytic mechanism of NiFe and CoFe layered double hydroxides during oxygen evolution

NiFe and CoFe (MFe) layered double hydroxides (LDHs) are among the most active electrocatalysts for the alkaline oxygen evolution reaction (OER). Herein, we combine electrochemical measurements, operando X-ray scattering and absorption spectroscopy, and density functional theory (DFT) calculations to elucidate the catalytically active phase, reaction center and the OER mechanism. We provide the first direct atomic-scale evidence that, under applied anodic potentials, MFe LDHs oxidize from as-prepared α-phases to activated γ-phases. The OER-active γ-phases are characterized by about 8% contraction of the lattice spacing and switching of the intercalated ions. DFT calculations reveal that the OER proceeds via a Mars van Krevelen mechanism. The flexible electronic structure of the surface Fe sites, and their synergy with nearest-neighbor M sites through formation of O-bridged Fe-M reaction centers, stabilize OER intermediates that are unfavorable on pure M-M centers and single Fe sites, fundamentally accounting for the high catalytic activity of MFe LDHs.

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

Anti-distortion bioinspired camera with an inhomogeneous photo-pixel array

The bioinspired camera, comprising a single lens and a curved image sensor—a photodiode array on a curved surface—, was born of flexible electronics. Its economical build lends itself well to space-constrained machine vision applications. The curved sensor, much akin to the retina, helps image focusing, but the curvature also creates a problem of image distortion, which can undermine machine vision tasks such as object recognition. Here we report an anti-distortion single-lens camera, where 4096 silicon photodiodes arrayed on a curved surface in a nonuniform pattern assimilated to the distorting optics are the key to anti-distortion engineering. That is, the photo-pixel distribution pattern itself is warped in the same manner as images are warped, which correctively reverses distortion. Acquired images feature no appreciable distortion across a 120° horizontal view, as confirmed by their neural-network recognition accuracies. This distortion correction via photo-pixel array reconfiguration is a form of in-sensor computing.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Mechanically flexible mid-wave infrared imagers using black phosphorus ink films

The mid-wave infrared (MWIR) spectral range (λ = 3–8 μm) enables important sensing and imaging applications, including non-invasive bioimaging, night vision, and autonomous navigation. Commercial MWIR photodetectors are limited to rigid imagers based on heteroepitaxial materials. There is an emerging need for mechanically flexible MWIR imagers to broaden their functionality and practicality. Recently, photodetectors using van der Waals (vdW) black phosphorus (BP) flakes have demonstrated highly sensitive room-temperature photodetection. Additionally, vdW materials are solution-processable, facilitating scalable processing and flexible device fabrication. In this work, we present flexible MWIR imagers consisting of photodiodes fabricated on thin plastic substrates using BP ink films. We demonstrate mechanically robust responsivity up to 2.5-mm bending radii and after 5000 bending cycles. Leveraging this flexibility, we achieve full-azimuthal imaging, detecting directional light sources with precision. These results establish a scalable approach for large-area, conformable MWIR imaging and pave the way for integration with flexible electronics.

Wijaya, Theodorus Jonathan↗
DOE OSTI2022

Micrometre-scale single-crystalline borophene on a square-lattice Cu(100) surface

Borophene, a crystalline monolayer boron sheet, is a new two-dimensional (2D) quantum material, predicted to feature tunable structure, intriguing physics and to find applications in flexible electronics, energy storage and catalysis. Nanoscale borophene flakes have been synthesized on noble-metal surfaces, but for device fabrication, one needs large single-crystal domains. In this work, we report the synthesis of borophene on a square lattice Cu(100) surface and show that incommensurate coordinations could reduce the borophene-substrate interactions and alter the borophene structures in interesting ways. Micrometer-scale single-crystal domains can form as isolated faceted islands or merge together to achieve full monolayer coverage. We have discovered a new crystal structure of borophene, with ten boron atoms and two hexagonal vacancies in the unit cell. First-principle calculations indicate that charge transfer rather than covalent bonding binds 2D boron to the copper surface, and confirm its integrity and uniformity The electronic band structure features multiple anisotropic tilted Dirac cones, heralding emergent quantum fermions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗