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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Controlling band alignments by artificial interface dipoles at perovskite heterointerfaces

The concept ‘the interface is the device' is embodied in a wide variety of interfacial electronic phenomena and associated applications in oxide materials, ranging from catalysts and clean energy systems to emerging multifunctional devices. Many device properties are defined by the band alignment, which is often influenced by interface dipoles. On the other hand, the ability to purposefully create and control interface dipoles is a relatively unexplored degree of freedom for perovskite oxides, which should be particularly effective for such ionic materials. Here we demonstrate tuning the band alignment in perovskite metal-semiconductor heterojunctions over a broad range of 1.7 eV. This is achieved by the insertion of positive or negative charges at the interface, and the resultant dipole formed by the induced screening charge. This approach can be broadly used in applications where decoupling the band alignment from the constituent work functions and electron affinities can enhance device functionality.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Thickness-independent capacitance of vertically aligned liquid-crystalline MXenes

The scalable and sustainable manufacture of thick electrode films with high energy and power densities is critical for the large-scale storage of electrochemical energy for application in transportation and stationary electric grids. Two-dimensional nanomaterials have become the predominant choice of electrode material in the pursuit of high energy and power densities owing to their large surface-area-to-volume ratios and lack of solid-state diffusion. However, traditional electrode fabrication methods often lead to restacking of two-dimensional nanomaterials, which limits ion transport in thick films and results in systems in which the electrochemical performance is highly dependent on the thickness of the film. Strategies for facilitating ion transport—such as increasing the interlayer spacing by intercalation or introducing film porosity by designing nanoarchitectures—result in materials with low volumetric energy storage as well as complex and lengthy ion transport paths that impede performance at high charge–discharge rates. Vertical alignment of two-dimensional flakes enables directional ion transport that can lead to thickness-independent electrochemical performances in thick films. However, so far only limited success has been reported, and the mitigation of performance losses remains a major challenge when working with films of two-dimensional nanomaterials with thicknesses that are near to or exceed the industrial standard of 100 micrometres. Here we demonstrate electrochemical energy storage that is independent of film thickness for vertically aligned two-dimensional titanium carbide (Ti 3 C 2 T x ), a material from the MXene family (two-dimensional carbides and nitrides of transition metals (M), where X stands for carbon or nitrogen). The vertical alignment was achieved by mechanical shearing of a discotic lamellar liquid-crystal phase of Ti 3 C 2 T x . The resulting electrode films show excellent performance that is nearly independent of film thickness up to 200 micrometres, which makes them highly attractive for energy storage applications. In conclusion, the self-assembly approach presented here is scalable and can be extended to other systems that involve directional transport, such as catalysis and filtration.

25 ENERGY STORAGE↗
DOE OSTI2017

Rapid alignment of nanotomography data using joint iterative reconstruction and reprojection

As x-ray and electron tomography is pushed farther into the nanoscale, the limitations of rotation stages become more apparent leading to challenges in the alignment of the acquired projection images. Here we present an approach for rapid post-acquisition alignment of these projections to obtain high quality 3D images. Our approach is based on a joint estimation of alignment errors, and the object, using an iterative refinement procedure. We characterize convergence in simulations, and show its application in x-ray and electron nanotomography.

47 OTHER INSTRUMENTATION↗
DOE OSTI2016

Controllable growth of vertically aligned graphene on C-face SiC

We investigated how to control the growth of vertically aligned graphene on C-face SiC by varying the processing conditions. It is found that, the growth rate scales with the annealing temperature and the graphene height is proportional to the annealing time. Temperature gradient and crystalline quality of the SiC substrates influence their vaporization. The partial vapor pressure is crucial as it can interfere with further vaporization. A growth mechanism is proposed in terms of physical vapor transport. The monolayer character of vertically aligned graphene is verified by Raman and X-ray absorption spectroscopy. With the processed samples, d 0 magnetism is realized and negative magnetoresistance is observed after Cu implantation. We also prove that multiple carriers exist in vertically aligned graphene.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Self-assembled HfO 2 -Au nanocomposites with ultra-fine vertically aligned Au nanopillars

Oxide-metal-based hybrid materials have gained great research interest in recent years owing to their potential for multifunctionality, property coupling, and tunability. Specifically, oxide-metal hybrid materials in a vertically aligned nanocomposite (VAN) form could produce pronounced anisotropic physical properties, e.g., hyperbolic optical properties. Herein, self-assembled HfO 2 -Au nanocomposites with ultra-fine vertically aligned Au nanopillars (as fine as 3 nm in diameter) embedded in a HfO 2 matrix were fabricated using a one-step self-assembly process. The film crystallinity and pillar uniformity can be obviously improved by adding an ultra-thin TiN-Au buffer layer during the growth. Here, the HfO 2 -Au hybrid VAN films show an obvious plasmonic resonance at 480 nm, which is much lower than the typical plasmonic resonance wavelength of Au nanostructures, and is attributed to the well-aligned ultra-fine Au nanopillars. Coupled with the broad hyperbolic dispersion ranging from 1050 nm to 1800 nm in wavelength, and unique dielectric HfO 2 , this nanoscale hybrid plasmonic metamaterial presents strong potential for the design of future integrated optical and electronic switching devices.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Polarization and dynamic phases of aligning active matter in periodic obstacle arrays

Here, we numerically examine a system of monodisperse self-propelled particles interacting with each other via simple steric forces and aligning torques moving through a periodic array of obstacles. Without obstacles, this system shows a transition to a polarized or aligned state for critical alignment parameters. In the presence of obstacles, there is still a polarization transition, but for dense enough arrays, the polarization is locked to the symmetry directions of the substrate. When the obstacle array is made anisotropic, at low densities the particles can form a quasi-isotropic state where the system can be polarized in any of the dominant symmetry directions. For intermediate anisotropy, the particles self-organize into a coherent lane state with one-dimensional polarization. In this phase, a small number of highly packed lanes are adjacent to less dense lanes that have the same polarization, but lanes further away can have the opposite polarization, so that global polarization is lost. For the highest anisotropy, hopping between lanes is suppressed, and the system forms uniformly dense uncoupled but polarized lanes.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2019

Development and operational experience of the web based application to collect, manage, and release the alignment and calibration configurations for data processing at CMS

The alignment and calibration workflows at the Compact Muon Solenoid (CMS) experiment are fundamental to provide a high quality physics data and to maintain the design performance of the experiment. To facilitate the operational efforts required by the experiment, the alignment and calibration team has developed and deployed a set of web-based applications to search, navigate and prepare a consistent set of calibrations to be consumed in reconstruction of data for physics, accessible through the Condition DB Browser. The Condition DB Browser hosts also various data management tools, including a visualization tool that allows to easily inspect alignment an calibration contents, an user-defined notification agent for delivering updates on modification to the database, a logging service for the user and the automatic online-to-offline condition uploads. In this paper we report on the operational experience of this web application from 2017 data taking, with focus on new features and tools incorporated during this period.

Md, Hasbuddin↗
DOE OSTI2014

Homeotropic alignment and Förster resonance energy transfer: The way to a brighter luminescent solar concentrator

We investigate homeotropically aligned fluorophores and Förster resonance energy transfer (FRET) for luminescent solar concentrators using Monte-Carlo ray tracing. The homeotropic alignment strongly improves the trapping efficiency, while FRET circumvents the low absorption at homeotropic alignment by separating the absorption and emission processes. We predict that this design doped with two organic dye molecules can yield a 82.9% optical efficiency improvement compared to a single, arbitrarily oriented dye molecule. We also show that quantum dots are prime candidates for absorption/donor fluorophores due to their wide absorption band. The potentially strong re-absorption and low quantum yield of quantum dots is not a hindrance for this design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Impact of carbon nanotube length on electron transport in aligned carbon nanotube networks

Here, we quantify the electron transport properties of aligned carbon nanotube (CNT) networks as a function of the CNT length, where the electrical conductivities may be tuned by up to 10× with anisotropies exceeding 40%. Testing at elevated temperatures demonstrates that the aligned CNT networks have a negative temperature coefficient of resistance, and application of the fluctuation induced tunneling model leads to an activation energy of ≈14 meV for electron tunneling at the CNT-CNT junctions. Since the tunneling activation energy is shown to be independent of both CNT length and orientation, the variation in electron transport is attributed to the number of CNT-CNT junctions an electron must tunnel through during its percolated path, which is proportional to the morphology of the aligned CNT network.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A confocal microscope position sensor for micron-scale target alignment in ultra-intense laser-matter experiments

A diagnostic tool for precise alignment of targets in laser-matter interactions based on confocal microscopy is presented. This device permits precision alignment of targets within the Rayleigh range of tight focusing geometries for a wide variety of target surface morphologies. This confocal high-intensity positioner achieves micron-scale target alignment by selectively accepting light reflected from a narrow range of target focal planes. Additionally, the design of the device is such that its footprint and sensitivity can be tuned for the desired chamber and experiment. The device has been demonstrated to position targets repeatably within the Rayleigh range of the Scarlet laser system at The Ohio State University, where use of the device has provided a marked increase in ion yield and maximum energy.

Willis, Christopher↗
DOE OSTI2015

Theoretical calculations of rotationally inelastic collisions of He with NaK(A {sup 1}Σ{sup +}): Transfer of population, orientation, and alignment

We have performed extensive calculations to investigate thermal energy, rotationally inelastic collisions of NaK (A{sup 1}Σ{sup +}) with He. We determined a potential energy surface using a multi-reference configuration interaction wave function as implemented by the GAMESS electronic structure code, and we have performed coupled channel scattering calculations using the Arthurs and Dalgarno formalism. We also calculate the Grawert coefficients B{sub λ}(j, j′) for each j → j′ transition. These coefficients are used to determine the probability that orientation and alignment are preserved in collisions taking place in a cell environment. The calculations include all rotational levels with j or j′ between 0 and 50, and total (translational and rotational) energies in the range 0.0002–0.0025 a.u. (∼44–550 cm{sup −1}). The calculated cross sections for transitions with even values of Δj tend to be larger than those for transitions with odd Δj, in agreement with the recent experiments of Wolfe et al. (J. Chem. Phys. 134, 174301 (2011)). The calculations of the energy dependence of the cross sections and the calculations of the fraction of orientation and alignment preserved in collisions also exhibit distinctly different behaviors for odd and even values of Δj. The calculations also indicate that the average fraction of orientation or alignment preserved in a transition becomes larger as j increases. We interpret this behavior using the semiclassical model of Derouard, which also leads to a simple way of visualizing the distribution of the angles between the initial and final angular momentum vectors j and j′. Finally, we compare the exact quantum results for j → j′ transitions with results based on the simpler, energy sudden approximation. That approximation is shown to be quite accurate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Highly aligned arrays of high aspect ratio barium titanate nanowires via hydrothermal synthesis

We report on the development of a hydrothermal synthesis procedure that results in the growth of highly aligned arrays of high aspect ratio barium titanate nanowires. Using a multiple step, scalable hydrothermal reaction, a textured titanium dioxide film is deposited on titanium foil upon which highly aligned nanowires are grown via homoepitaxy and converted to barium titanate. Scanning electron microscope images clearly illustrate the effect the textured film has on the degree of orientation of the nanowires. The alignment of nanowires is quantified by calculating the Herman's Orientation Factor, which reveals a 58% improvement in orientation as compared to growth in the absence of the textured film. The ferroelectric properties of barium titanate combined with the development of this scalable growth procedure provide a powerful route towards increasing the efficiency and performance of nanowire-based devices in future real-world applications such as sensing and power harvesting.

36 MATERIALS SCIENCE↗
DOE OSTI2015

An indirect method of studying band alignments in nBn photodetectors using off-axis electron holography

Mid-wave and long-wave infrared nBn photodetectors with absorbers consisting of InAs/InAsSb superlattices and barriers consisting of InAs/AlGaSb(As) superlattices were grown using molecular beam epitaxy. High-resolution X-ray diffraction showing significant differences in Ga composition in the barrier layer, and different dark current behavior at 77 K, suggested the possibility of different types of band alignments between the barrier layer and the absorber for the mid- and long-wave infrared samples. Examination of the barrier layers using off-axis electron holography showed the presence of positive charge with an estimated density of 1.8 × 10{sup 17}/cm{sup 3} in the mid-wave sample as a result of a type-II band alignment, whereas negligible charge was detected in the long-wave sample, consistent with a type-I band alignment.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Effect of Nb-doped TiO{sub 2} on nanocomposited aligned ZnO nanorod/TiO{sub 2}:Nb for dye-sensitized solar cells

The Nb-doped TiO{sub 2} films were deposited on glass substrate at different Nb concentrations of 0 at.%, 1 at.%, 3 at.%, 5 at.% and 7 at.%, respectively and their electrical and structural properties were investigated. Subsequently, the Nb-doped TiO{sub 2} films were deposited on top of aligned ZnO Nanorod on ITO glass substrates using spin coating technique. The nanocomposited aligned ZnO nanorod/Nb-doped TiO{sub 2} (TiO{sub 2}:Nb) were coated with different Nb concentrations of 0 at.%, 1 at.%, 3 at.%, 5 at.% and 7 at.%, respectively. The Dye-sensitized solar cells were fabricated from the nanocomposited aligned ZnO nanorod/TiO{sub 2}:Nb photoanodes and their effects on the performance of the DSSCs were investigated. From the solar simulator measurement of DSSC the solar energy conversion efficiency (η) of 5.376% under AM 1.5 was obtained for the ZnO nanorod/TiO{sub 2}:Nb-5at.%.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Effects of interfacial alignments on the stability of graphene on Ru(0001) substrate

Structure and electronic properties of two-dimensional materials could be tuned by interfacial misfit or orientation angles. However, graphene grown on Ru(0001) substrate usually shows stable moiré superlattice with a periodicity of 3.0 nm indicating an aligned geometry. The reason for the absence of misaligned structure is still unknown. We have performed first-principles calculation to investigate the microstructure and morphology of graphene on Ru(0001) substrate in both aligned and misaligned geometries with rotation angles of 0°, 7.6°, and 23.4°, respectively. Our results indicate that both the graphene corrugation and moiré superlattice periodicity decrease as the rotation angle increases. Meanwhile the interaction energy between graphene and Ru(0001) substrate also becomes weakened with the rotation angle, as the decrease and discretization of intense charge transfer sites at the graphene/Ru interface, which is closely related to the interface stacking structure. Counterintuitively, the strain energy in graphene also increases anomalously with the rotation angle, which is attributed to the highly distorted local deformation of graphene due to the strong but discrete covalent bonding with Ru substrate. The simultaneous increase in both the interaction energy and strain energy in graphene/Ru(0001) heterostructure with rotation angle contributes to the preferred configuration in the aligned state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Ion-beam-spurted dimethyl-sulfate-doped PEDOT:PSS composite-layer-aligning liquid crystal with low residual direct-current voltage

Thin ion-beam (IB)-spurted dimethyl sulfate/poly(3,4-ethylenedioxythiophene) polystyrene sulfonate (DMS/PEDOT:PSS) layers with improved electro-optic performance are presented for aligning liquid crystals. IB spurting is effective for enhancing the conductivity of such layers, as well as the anchoring energy of the liquid crystals sandwiched between them. Compared with a commercial twisted-nematic cell assembled with polyimide alignment layers, the same cell assembled with 3.0-keV IB-spurted DMS/PEDOT:PSS alignment layers shows a 38% faster switching and a 93% lower residual direct current. The improved electro-optic performance here is likely due to the enhanced electric field effect and the charge-releasing ability of thin IB-spurted DMS/PEDOT:PSS layers.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Isotropic Seebeck coefficient of aligned single-wall carbon nanotube films

How the morphology of a macroscopic assembly of nanoobjects affects its properties is a long-standing question in nanomaterials science and engineering. Here, we examine how the thermoelectric properties of a flexible thin film of carbon nanotubes depend on macroscopic nanotube alignment. Specifically, we have investigated the anisotropy of the Seebeck coefficient of aligned and gated single-wall carbon nanotube thin films. We varied the Fermi level in a wide range, covering both the p-type and n-type regimes, using electrolyte gating. While we found the electrical conductivity along the nanotube alignment direction to be several times larger than that in the perpendicular direction, the Seebeck coefficient was found to be fully isotropic, irrespective of the Fermi level position. We provide an explanation for this striking difference in anisotropy between the conductivity and the Seebeck coefficient using Mott's theory of hopping conduction. Our experimental evidence for an isotropic Seebeck coefficient in an anisotropic nanotube assembly suggests a route toward controlling the thermoelectric performance of carbon nanotube thin films through morphology control.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Insulators at fractional fillings in twisted bilayer graphene partially aligned to hexagonal boron nitride

At partial fillings of its flat electronic bands, magic-angle twisted bilayer graphene (MATBG) hosts a rich variety of competing correlated phases that show sample-to-sample variations. Divergent phase diagrams in MATBG are often attributed to the sublattice polarization energy scale, tuned by the degree of alignment of the hexagonal boron nitride (hBN) substrates typically used in van der Waals devices. Unaligned MATBG exhibits unconventional superconductor and correlated insulator phases, while nearly perfectly aligned MATBG/hBN exhibits zero-field Chern insulating phases and lacks superconductivity. Here we use scanning tunneling microscopy and spectroscopy (STM/STS) to observe gapped phases at partial fillings of the flat bands of MATBG in a new intermediate regime of sublattice polarization, observed when MATBG is only partially aligned (θ Gr-hBN ≈ 1.65°) to the underlying hBN substrate. Under this condition, MATBG hosts not only phenomena that naturally interpolate between the two sublattice potential limits, but also unexpected gapped phases absent in either of these limits. At charge neutrality, we observe an insulating phase with a small energy gap (Δ < 5 meV) likely related to weak sublattice symmetry breaking from the hBN substrate. In addition, we observe new gapped phases near fractional fillings ν = ±1/3 and ν = ±1/6, which have not been previously observed in MATBG. Importantly, energy-resolved STS unambiguously identifies these fractional filling states to be of single-particle origin, possibly a result of the super-superlattice formed by two moiré superlattices. Finally, our observations emphasize the power of STS in distinguishing single-particle gapped phases from many-body gapped phases in situations that could be easily confused in electrical transport measurements, and demonstrate the use of substrate engineering for modifying the electronic structure of a moiré flat-band material.

Physics↗