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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 613 records · Page 34
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Direct-write orientation of charge-transfer liquid crystals enables polarization-based coding and encryption

Abstract Optical polarizers encompass a class of anisotropic materials that pass-through discrete orientations of light and are found in wide-ranging technologies, from windows and glasses to cameras, digital displays and photonic devices. The wire-grids, ordered surfaces, and aligned nanomaterials used to make polarized films cannot be easily reconfigured once aligned, limiting their use to stationary cross-polarizers in, for example, liquid crystal displays. Here we describe a supramolecular material set and patterning approach where the polarization angle in stand-alone films can be precisely defined at the single pixel level and reconfigured following initial alignment. This capability enables new routes for non-binary information storage, retrieval, and intrinsic encryption, and it suggests future technologies such as photonic chips that can be reconfigured using non-contact patterning.

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

Characterization of an aerosolized nanoparticle beam beyond the diffraction limit through strong field ionization

Abstract The study of nanomaterials is an active area of research for technological applications as well as fundamental science. A common method for studying properties of isolated nanoparticles is by an in-vacuum particle beam produced via an aerodynamic lens. Despite being common practice, characterization of such beams has proven difficult as light scattering detection techniques fail for particles with sizes beyond the diffraction limit. Here we present a new technique for characterizing such nanoparticle beams using strong field ionization. By focusing an ultrafast, mJ-level laser into the particle beam, a nanoparticle within the laser focus is ionized and easily detected by its ejected electrons. This method grants direct access to the nanoparticle density at the location of the focus, and by scanning the focus through the transverse and longitudinal profiles of the particle beam we attain the 3-dimensional particle density distribution for a cylindrically symmetric beam. Further, we show that strong field ionization is effective in detecting spherical nanoparticles as small as 10 nm in diameter. Additionally, this technique is an effective tool in optimizing the particle beam for specific applications. As an example we show that the particle beam density and width can be manipulated by restricting the gas flow into the aerodynamic lens.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Exploring finite temperature properties of materials with quantum computers

Abstract Thermal properties of nanomaterials are crucial to not only improving our fundamental understanding of condensed matter systems, but also to developing novel materials for applications spanning research and industry. Since quantum effects arise at the nano-scale, these systems are difficult to simulate on classical computers. Quantum computers can efficiently simulate quantum many-body systems, yet current quantum algorithms for calculating thermal properties of these systems incur significant computational costs in that they either prepare the full thermal state on the quantum computer, or they must sample a number of pure states from a distribution that grows with system size. Canonical thermal pure quantum (TPQ) states provide a promising path to estimating thermal properties of quantum materials as they neither require preparation of the full thermal state nor require a growing number of samples with system size. Here, we present an algorithm for preparing canonical TPQ states on quantum computers. We compare three different circuit implementations for the algorithm and demonstrate their capabilities in estimating thermal properties of quantum materials. Due to its increasing accuracy with system size and flexibility in implementation, we anticipate that this method will enable finite temperature explorations of relevant quantum materials on near-term quantum computers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

High flux novel polymeric membrane for renal applications

Biocompatibility and the ability to mediate the appropriate flux of ions, urea, and uremic toxins between blood and dialysate components are key parameters for membranes used in dialysis. Oxone-mediated TEMPO-oxidized cellulose nanomaterials have been demonstrated to be excellent additives in the production and tunability of ultrafiltration and dialysis membranes. In the present study, nanocellulose ionic liquid membranes (NC-ILMs) were tested in vitro and ex vivo. An increase in flux of up to two orders of magnitude was observed with increased rejection (about 99.6%) of key proteins compared to that of polysulfone (PSf) and other commercial membranes. NC-ILMs have a sharper molecular weight cut-off than other phase inversion polymeric membranes, allowing for high throughput of urea and a uremic toxin surrogate and limited passage of proteins in dialysis applications. Superior anti-fouling properties were also observed for the NC-ILMs, including a > 5-h operation time with no systemic anticoagulation in blood samples. Finally, NC-ILMs were found to be biocompatible in rat ultrafiltration and dialysis experiments, indicating their potential clinical utility in dialysis and other blood filtration applications. These superior properties may allow for a new class of membranes for use in a wide variety of industrial applications, including the treatment of patients suffering from renal disease.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Strain engineering of doped hydrogen passivated silicon quantum dots

Silicon quantum dots are nanomaterials that are attractive candidates for photovoltaic applications. Doping of these materials creates p-n junctions and is important for solar cells. In this work, we present a first-principles study of the coupled influence of doping and strain on the stability, energy gap, Fermi level, electronic density, and density of states of hydrogen-passivated silicon quantum dots. We find that the cohesive energy and the energy gap decrease with increasing quantum dot size and are strongly influenced by strain. Furthermore, the response to strain also depends on the size of the quantum dot and dopant type. We present expressions of cohesive energy and energy gap as power-law of size and polynomial dependence on strain. We also show that the Fermi energy increases with size for pristine and p-type doping but decreases with size for n-type doping. We also discuss the influence of strain and dopant type on the density of states and electron density of the quantum dots.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

A native oxide high-κ gate dielectric for two-dimensional electronics

Silicon-based transistors are approaching their physical limits and thus new high-mobility semiconductors are sought to replace silicon in the microelectronics industry. Both bulk materials (such as silicon-germanium and III–V semiconductors) and low-dimensional nanomaterials (such as one-dimensional carbon nanotubes and two-dimensional transition metal dichalcogenides) have been explored, but, unlike silicon, which uses silicon dioxide (SiO 2 ) as its gate dielectric, these materials suffer from the absence of a high-quality native oxide as a dielectric counterpart. This can lead to compatibility problems in practical devices. Here, we show that an atomically thin gate dielectric of bismuth selenite (Bi 2 SeO 5 ) can be conformally formed via layer-by-layer oxidization of an underlying high-mobility two-dimensional semiconductor, Bi 2 O 2 Se. Using this native oxide dielectric, high-performance Bi 2 O 2 Se field-effect transistors can be created, as well as inverter circuits that exhibit a large voltage gain (as high as 150). The high dielectric constant (~21) of Bi 2 SeO 5 allows its equivalent oxide thickness to be reduced to 0.9 nm while maintaining a gate leakage lower than thermal SiO 2 . The Bi 2 SeO 5 can also be selectively etched away by a wet chemical method that leaves the mobility of the underlying Bi 2 O 2 Se semiconductor almost unchanged.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

CHAPTER 9. Bijels the Easy Way

Spinodal decomposition is not the only way to make a bijel. Indeed, while spinodal decomposition produces structures with a potentially useful morphology, it can be challenging to make bijels using this method and the resulting systems can be hard to process and manipulate. Furthermore, exploiting the functional properties of the assembled particle monolayer is extremely challenging. Here, we show how the assembly of nanoparticle surfactants at the liquid–liquid interface can be used to kinetically trap liquids into a wealth of complex structures without using spinodal decomposition. We apply liquid three-dimensional printing and moulding methods, along with patterned substrates with controllable wetting properties, to build all-liquid devices with applications in chemical synthesis, separation, and purification. The functional properties of the assembled nanomaterials can be exploited to produce interfacially structured liquids that are plasmonically and magnetically responsive. Finally, we conclude by arguing that, while the field shows great promise, efforts need to be made to translate liquid bicontinuous systems out of the laboratory and into meaningful, real-world applications, as well applications in more ‘exotic’ disciplines, such as synthetic biology.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Graphene-extracted membrane lipids facilitate the activation of integrin α v β 8

Despite the remarkable electrochemical properties of graphene, strong van der Waals attraction between graphene and biomolecules often causes cytotoxicity, which hinders its applications in the biomedical field. Unfortunately, surface passivation of graphene might stimulate undesired immune response as the nanomaterial triggers cytokine production through membrane receptor activation. In this work, we use all-atom Molecular Dynamics (MD) simulations to unravel the underlying mechanism of graphene-induced inside-out activation of integrin αvβ8, a prominent membrane receptor expressed in immune cells. We model the transmembrane (TM) domains of integrin αvβ8 in a 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphocholine (POPC) lipid bilayer and observe the structural changes in the integrin–membrane complex when interacting with a graphene nanosheet across the membrane. We find that the β8 TM domain interacts with the graphene nanosheet directly or indirectly through extracted lipids, facilitating the pulling of a β8 subunit away from an αv subunit and thus leading to the disruption of the TM domain association by breaking the hydrophobic cluster in the cytoplasmic domains of the αv and β8 subunits. Alanine substitution of two conserved phenylalanine residues on the αv subunit at this hydrophobic cluster further reveals the importance of a stable T-shaped structure in retaining integrin in its inactive state. Our results agree with previous studies on the interactions between other integrin subtypes and their endogenous activators, suggesting an intriguing role that the graphene nanosheet may play in the integrin-related signal transduction during its interaction with the membrane.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Liquid crystalline behavior and photoluminescence of lanthanide decanoate nanoparticles synthesized by microwave radiation

Luminescent lanthanide decanoate nanoparticles (LnC 10 NPs; Ln = Pr, Nd, Sm, Eu, Gd, Er) with spherical morphology (<100 nm) have been synthesized via a facile microwave (MWV) method using Ln(NO 3 ) 3 ·xH 2 O, ethanol/water, and decanoic acid. These hybrid nanomaterials adopt a lamellar structure consisting of inorganic Ln 3+ layers separated by a decanoate anion bilayer and exhibit liquid crystalline (LC) phases during melting. The particle size, crystalline structure, and LC behavior were characterized using transmission electron microscopy (TEM), differential scanning calorimetry (DSC), and powder X-ray diffraction (ambient and heated). Thermal analysis indicated the formation of Smectic A LC phases by LnC 10 nanoparticles, with the smaller lanthanides (Ln = Sm, Gd, Er) displaying additional solid intermediate and Smectic C phases. The formation of LC phases by the smaller Ln 3+ suggests that these nanoscale materials have vastly different thermal properties than their bulk counterparts, which do not exhibit LC behavior. In this work, photoluminescence spectroscopy revealed the LnC 10 NPs to be highly optically active, producing strong visible emissions that corresponded to expected electronic transitions by the various Ln 3+ ions. Under long-wave UV irradiation (λ = 365 nm), bright visible luminescence was observed for colloidal suspensions of Nd, Sm, Eu, Gd, and ErC 10 NPs. To the best of the authors’ knowledge, this is the first reported synthesis of nanoscale metal alkanoates, the first report of liquid crystalline behavior by any decanoate of lanthanides smaller than Nd, and the first observation of strong visible luminescence by non-vitrified lanthanide alkanoates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Expression of interfacial Seebeck coefficient through grain boundary engineering with multi-layer graphene nanoplatelets

Energy filtering has been a long-sought strategy to enhance a thermoelectric material's figure of merit zT through improving its power factor. Here we show a composite of multi-layer graphene nanoplatelets (GNP) and n-type Mg 3 Sb 2 leads to the expression of an energy filtering like effect demonstrated by an increase in the material's Seebeck coefficient and maximum power factor, without impact on the material's carrier concentration. We analyse these findings from the perspective of a heterogeneous material consisting of grain and grain boundary phases, instead of a more traditional and common analysis that assumes a homogeneously transporting medium. An important implication of this treatment is that it leads to the development of an interfacial Seebeck coefficient term, which can explain the observed increase in the material's Seebeck coefficient. The contribution of this interfacial Seebeck coefficient to the overall Seebeck coefficient is determined by the relative temperature drop across the grain boundary region compared to that of the bulk material. In Te doped Mg 3 Sb 2 we show the introduction of GNP increases the interfacial thermal resistance of grain boundaries, enhancing the contribution of the interfacial Seebeck coefficient arising from grain boundaries to the overall Seebeck coefficient. Without significant detriment to the electrical conductivity this effect results in a net increase in maximum power factor. This increased interfacial thermal resistance also leads to the synergistic reduction of the total thermal conductivity. As a result, we enhance zT of the Mg 3 Sb 2 to a peak value of 1.7 near 750 K. Considering the two-dimensional nature of the grain boundary interface, this grain boundary engineering strategy could be applied to a few thermoelectric systems utilizing various two-dimensional nanomaterials.

42 ENGINEERING↗
DOE OSTI2020

New reflections on hard X-ray photon-in/photon-out spectroscopy

Analysis of the electronic structure and local coordination of an element is an important aspect in the study of the chemical and physical properties of materials. This is particularly relevant at the nanoscale where new phases of matter may emerge below a critical size. X-ray emission spectroscopy (XES) at synchrotron radiation sources and free electron lasers has enriched the field of X-ray spectroscopy. Additionally, the spectroscopic techniques derived from the combination of X-ray absorption and emission spectroscopy (XAS–XES), such as resonant inelastic X-ray scattering (RIXS) and high energy resolution fluorescence detected (HERFD) XAS, are an ideal tool for the study of nanomaterials. New installations and beamline upgrades now often include wavelength dispersive instruments for the analysis of the emitted X-rays. With the growing use of XAS–XES, scientists are learning about the possibilities and pitfalls. We discuss some experimental aspects, assess the feasibility of measuring weak fluorescence lines in dilute, radiation sensitive samples, and present new experimental approaches for studying magnetic properties of colloidal nanoparticles directly in the liquid phase.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

1D topological phases in transition-metal monochalcogenide nanowires

The Su–Schrieffer–Heeger (SSH) model is a prototypical one-dimensional (1D) diatomic lattice model for non-trivial topological phases and topological excitations. In theory, many variations and extensions of the SSH model have been proposed and explored to better understand the novel aspects of topological physics in low dimensions on the nanoscale. However, the outstanding challenge remains to find real nanomaterials with robust structural stability for realizing the 1D topological states. Here, we develop an extended version of the SSH model with multi-atomic bases of four, six and eight atoms and an imposed screw rotation symmetry. Furthermore, based on first-principles calculations, we demonstrate the realization of this model in transition metal monochalcogenide M 6 X 6 (M = Mo and W; X = S, Se and Te) nanowires. The topological features of the doped M 6 X 6 nanowires are confirmed with non-trivial edge modes and e/2 fractional charges, representative of the 1D non-trivial Zak phase. Our finding not only sheds new light on our fundamental understanding of 1D topological physics, but also significantly extends the scope of 1D topological materials that will attract immediate experimental interest, since isolated M 6 X 6 nanowires have already been synthesized in experiments.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Low-threshold laser medium utilizing semiconductor nanoshell quantum dots

Colloidal semiconductor nanocrystals (NCs) represent a promising class of nanomaterials for lasing applications. Currently, one of the key challenges facing the development of high-performance NC optical gain media lies in enhancing the lifetime of biexciton populations. This usually requires the employment of charge-delocalizing particle architectures, such as core/shell NCs, nanorods, and nanoplatelets. Here, we report on a two-dimensional nanoshell quantum dot (QD) morphology that enables a strong delocalization of photoinduced charges, leading to enhanced biexciton lifetimes and low lasing thresholds. A unique combination of a large exciton volume and a smoothed potential gradient across interfaces of the reported CdS bulk /CdSe/CdS shell (core/shell/shell) nanoshell QDs results in strong suppression of Auger processes, which was manifested in this work though the observation of stable amplified stimulated emission (ASE) at low pump fluences. An extensive charge delocalization in nanoshell QDs was confirmed by transient absorption measurements, showing that the presence of a bulk-size core in CdS bulk /CdSe/CdS shell QDs reduces exciton–exciton interactions. Altogether, present findings demonstrate unique advantages of the nanoshell QD architecture as a promising optical gain medium in solid-state lighting and lasing applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Synthesis of luminescent core/shell α-Zn 3 P 2 /ZnS quantum dots

Metal chalcogenide nanoparticles offer vast control over their optoelectronic properties via size, shape, composition, and morphology which has led to their use across fields including optoelectronics, energy storage, and catalysis. While cadmium and lead-based nanocrystals are prevalent in applications, concerns over their toxicity have motivated researchers to explore alternate classes of nanomaterials based on environmentally benign metals such as zinc and tin. The goal of this research is to identify material systems that offer comparable performance to existing metal chalcogenide systems from abundant, recyclable, and environmentally benign materials. With band gaps that span the visible through the infrared, II–V direct band gap semiconductors such as tetragonal zinc phosphide (α-Zn 3 P 2 ) are promising candidates for optoelectronics. To date, syntheses of α-Zn 3 P 2 nanoparticles have been hindered because of the toxicity of zinc and phosphorus precursors, surface oxidation, and defect states leading to carrier trapping and low photoluminescence quantum yield. Here, we report a colloidal synthesis of quantum confined α-Zn 3 P 2 nanoparticles from common phosphorus precursor tris(trimethylsilyl)phosphine and environmentally benign zinc carboxylates. Shelling of the nanoparticles with zinc sulfide is shown as a method of preventing oxidation and improving the optical properties of the nanoparticles. These results show a route to stabilizing α-Zn 3 P 2 nanoparticles for optoelectronic device applications.

25 ENERGY STORAGE↗
DOE OSTI2020

Peptoid-directed assembly of CdSe nanoparticles

The high information content of proteins drives their hierarchical assembly and complex function, including the organization of inorganic nanomaterials. Peptoids offer an organic scaffold very similar to proteins, but with a wider solubility range and easily tunable side chains and functional groups to create a variety of self-assembling architectures with atomic precision. If we could harness this paradigm and understand the factors that govern how they direct nucleation and assembly of inorganic materials to design order within such materials, new dimensions of function and fundamental science would emerge. In this work, peptoid tubes and sheets were explored as platforms to assemble colloidal quantum dots (QDs) and clusters. We have successfully synthesized CdSe QDs with difunctionalized capping ligands containing both carboxylic acid and thiol groups and mixed them with maleimide containing peptoids, to create an assembly of the QDs on the peptoid surface via a covalent linkage. This conjugation was seen to be successful with peptoid tubes, sheets and CdSe QDs and clusters. The particles were seen to have a high preference for the peptoid surface but non-specific interactions with carboxylic acid groups on the peptoids limited control over QD density via maleimide conjugation. Replacing the carboxylic acid groups with methoxy ethers, however, allowed for control over QD density as a function of maleimide concentration. 1 H NMR analysis demonstrated that binding of QDs to peptoids involved a subset of surface ligands bound through the carboxylate functional group, allowing the distal thiol to engage in a covalent linkage to the maleimide. Overall, we have shown the compatibility and control of CdSe-peptoid interactions via a covalent linkage with varying peptoid structures and CdSe particles to create complex hybrid structures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2020

Hierarchical assembly of ZnO nanowire trunks decorated with ZnO nanosheets for lithium ion battery anodes

Hierarchical architectures composed of nanomaterials in different forms are essential to improve the performance of lithium-ion battery (LIB) anodes. Here, we systematically studied the effects of hierarchical ZnO nanostructures on the electrochemical performance of LIBs. ZnO nanowire (NW) trunks were decorated with ZnO NWs or ZnO nanosheets (NSs) by successive hydrothermal synthesis to create hierarchical three-dimensional nanostructures. The branched ZnO NSs on the ZnO NW trunk exhibited a two-fold higher specific gravimetric capacity compared to ZnO NWs and branched ZnO NWs on ZnO NW trunks after 100 cycles of charging–discharging at 0.2C (197.4 mA g –1 ). The improvement in battery anode performance is attributable to the increased interfacial area between the electrodes and electrolyte, and the void space of the branched NSs that facilitates lithium ion transport and volume changes during cycling.

25 ENERGY STORAGE↗
DOE OSTI2020

The synthesis of competing phase GeSe and GeSe 2 2D layered materials

We report the synthesis of layered anisotropic semiconductor GeSe and GeSe 2 nanomaterials through low temperature and atmospheric pressure chemical vapor deposition using halide based precursors. The crystal phase is controlled by simply changing selenium vapor pressure.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Multicolor polymeric carbon dots: synthesis, separation and polyamide-supported molecular fluorescence

Multicolor carbon dots (CDs) have been developed recently and demonstrate great potential in bio-imaging, sensing, and LEDs. However, the fluorescence mechanism of their tunable colors is still under debate, and efficient separation methods are still challenging. Herein, we synthesized multicolor polymeric CDs through solvothermal treatment of citric acid and urea in formamide. Automated reversed-phase column separation was used to achieve fractions with distinct colors, including blue, cyan, green, yellow, orange and red. This work explores the physicochemical properties and fluorescence origins of the red, green, and blue fractions in depth with combined experimental and computational methods. Three dominant fluorescence mechanism hypotheses were evaluated by comparing time-dependent density functional theory and molecular dynamics calculation results to measured characteristics. We find that blue fluorescence likely comes from embedded small molecules trapped in carbonaceous cages, while pyrene analogs are the most likely origin for emission at other wavelengths, especially in the red. Also important, upon interaction with live cells, different CD color fractions are trafficked to different sub-cellular locations. Super-resolution imaging shows that the blue CDs were found in a variety of organelles, such as mitochondria and lysosomes, while the red CDs were primarily localized in lysosomes. These findings significantly advance our understanding of the photoluminescence mechanism of multicolor CDs and help to guide future design and applications of these promising nanomaterials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗