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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 217 records · Page 12
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Fabrication of a terahertz quantum-cascade laser with a double metal waveguide based on multilayer GaAs/AlGaAs heterostructures

The Postgrowth processing of GaAs/AlGaAs multilayer heterostructures for terahertz quantumcascade lasers (QCLs) are studied. This procedure includes the thermocompression bonding of In–Au multilayer heterostructures with a doped n{sup +}-GaAs substrate, mechanical grinding, and selective wet etching of the substrate, and dry etching of QCL ridge mesastripes through a Ti/Au metallization mask 50 and 100 μm wide. Reactive-ion-etching modes with an inductively coupled plasma source in a BCl{sub 3}/Ar gas mixture are selected to obtain vertical walls of the QCL ridge mesastripes with minimum Ti/Au mask sputtering.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Superconductivity and fluctuations in Ba 1–p K p Fe 2 As 2 and Ba(Fe 1–n Co n ) 2 As 2

In this paper, we study the interplay of fluctuations and superconductivity in BaFe 2 As 2 (Ba-122) compounds with Ba and Fe substituted by K (p doping) and Co (n doping), respectively. To this end, we measured electronic Raman spectra as a function of polarization and temperature. We observe gap excitations and fluctuations for all doping levels studied. The response from fluctuations is much stronger for Co substitution and, according to the selection rules and the temperature dependence, originates from the exchange of two critical spin fluctuations with characteristic wave vectors (±π,0) and (0,±π). At 22% K doping (p = 0.22), we find the same selection rules and spectral shape for the fluctuations but the intensity is smaller by a factor of 5. Since there exists no nematic region above the orthorhombic spin-density-wave (SDW) phase, the identification of the fluctuations via the temperature dependence is not possible. The gap excitations in the superconducting state indicate strongly anisotropic near-nodal gaps for Co substitution which make the observation of collective modes difficult. The variation with doping of the spectral weights of the A 1g and B 1g gap features does not support the influence of fluctuations on Cooper pairing. Thus, the observation of Bardasis–Schrieffer modes inside the nearly clean gaps on the K-doped side remains the only experimental evidence for the relevance of fluctuations for pairing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Modeling of transport in carrier-selective contacts in silicon heterojunction solar cells

High-performance silicon heterojunction (SHJ) solar cells use carrier-selective contact structures based on hydrogentated amorphous Si (a-Si:H) to maximize collection of photogenerated carriers. The high open circuit voltages observed experimentally in SHJ cells require that the carrier-selective contacts provide selectivity and passivation. However, a microscopic understanding of the dynamics of carrier transport through the a-Si layer is currently lacking. In this paper, we explicitly simulate the transport of holes across the a-Si:H(i) layer using a novel kinetic Monte Carlo approach. The hole-selective contact structure investigated in this paper uses p-type doped a-Si:H(p) and intrinsic a-Si:H(i) on an n-type crystalline silicon wafer, where the selectivity is provided by the a-Si:H(p) and the passivation is provided by the a-Si:H(i). However, in addition to the passivation provided by the a-Si:H(i), this layer also creates a potential barrier to the collection of photogenerated holes. There have been experimental studies in the literature that have suggested that multi-phonon processes are the main transport mechanism that assists in the transport of holes across the intrinsic a-Si:H barrier. Simulations presented here show that multi-phonon injection of holes into the a-Si:H(i) layer is the rate limiting step for transport across the a-Si:H(i) layer. Our results indicate that multi-phonon transport is strongly dependent on the electric field at the a-Si:H(i)/c-Si heterointerface as well. Transport simulations presented in this paper are consistent with experimental findings that multi-phonon processes limit transport across the a-Si:H(i) layer and are responsible for photocurrent suppression at the a-Si:H(i)/c-Si heterointerface when these processes are slower than the associated incident hole flux due to photo-excitation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2020

Stable and Catalytically Active Shape-Engineered Cerium Oxide Nanorods by Controlled Doping of Aluminum Cations

Shape-engineered nanocrystals (SENs) promise a better selectivity and a higher activity in catalytic reactions than the corresponding non-shape-engineered ones because of their larger specific surface areas and desirable crystal facets. However, often, it is challenging to apply SENs in practical catalytic applications at high reaction temperatures, where SENs deforms into more stable, less active nanoparticles. In this paper, we show that atomic layer deposition (ALD) of Al 2 O 3 at 200 °C can controllably dope Al cations into the shape-engineered CeO 2 nanorods (NRs) to not only increase their shape transition temperature from 400 °C to beyond 700 °C but also greatly increase their specific reversible oxygen storage capacity (srOSC). Furthermore, the substituted Al3+ ions impede the surface diffusion of Ce ions and therefore improve the thermal stability of CeO 2 NRs. These Al3+ dopants form -Al–O–Ce–O– clusters, which are new Ce species and can be reversibly reduced and oxidized at 500–700 °C. This low-temperature chemical doping method decouples the synthesis process of SENs from the doping process and maintains the shape of the SENs during the activation of dopants. This concept could be adopted to enable the applications of other SENs in challenging high-temperature environments.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1976

Solar cell grid patterns

A grid pattern is described for a solar cell of the type which includes a semiconductive layer doped to a first polarity and a top counter-doped layer. The grid pattern comprises a plurality of concentric conductive grids of selected geometric shapes which are centered about the center of the exposed active surface of the counter-doped layer. Connected to the grids is one or more conductors which extend to the cell's periphery. For the pattern area, the grids and conductors are arranged in the pattern to minimize the maximum distance which any injected majority carriers have to travel to reach any of the grids or conductors. The pattern has a multiaxes symmetry with respect to the cell center to minimize the maximum temperature differentials between points on the cell surface and to provide a more uniform temperature distribution across the cell face.

Yasui, R. K.↗
DOE OSTI2021

Zeolitic-Imidazolate Framework Derived Intermetallic Nickel Zinc Carbide Material as a Selective Catalyst for CO 2 to CO Reduction at High Pressure

The conversion of CO 2 into CO is an important step in CO 2 utilization to achieve clean fuels and value-added chemicals. Herein, we explored the pyrolysis of zeolitic imidazolate framework-8 (ZIF-8) loaded with different amounts of Ni 2+ to obtain Ni-Zn carbide (Ni 3 ZnC) embedded in N-doped carbon. Ni is present in the intermetallic compound, while Zn excess remains on the N-doped carbon. The Ni 3 ZnC phase catalyzes the selective hydrogenation of CO 2 into CO via the reverse water gas shift reaction, reaching 100 % CO selectivity at ~30 % CO 2 conversion at 450 °C and atmosphere pressure (CO 2 :H 2 =1:4, GHSV=30000 mL g cat -1 h -1 ). The methanation reaction of CO 2 /CO, which is usually favored over Ni catalysts, is suppressed. The selectivity to CO at the expense of CH 4 is related to the stability of chemisorbed CO in the Ni 3 ZnC surface, which is lower compared to Ni surfaces. The Ni 3 ZnC@NC catalyst is selective towards CO over a wide range of conditions, including high pressure, that is usually required for the conversion of CO to hydrocarbons and alcohols via the Fisher-Tropsch synthesis (FTS) process. Contrarily, a classical Ni/SiO 2 catalyst prepared by impregnation produces CH 4 under high pressure.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Beyond Epitaxy: Ion Implantation as a Tool for Orbital Engineering

Manipulating electronic orbital states in quantum materials provides a powerful means of controlling their physical properties and technological functionality. Here, we demonstrate that orbital populations in strongly correlated oxide thin films can be continuously and reversibly tuned through postsynthesis He ion implantation. Using LaNiO 3 as a model system, we show that the orbital preference can be systematically adjusted from favoring in-plane d x 2 –y 2 occupation toward out-of-plane d z 2 states through precise control of ion fluence. Unlike conventional heteroepitaxial approaches that lock in orbital configurations during growth, this strain-doping technique enables continuous orbital tuning and the selective modification of specific film regions after device fabrication. We demonstrate the practical impact of this control by achieving a 7-fold enhancement in oxygen reduction reaction catalysis. This work establishes ion implantation as a powerful approach for orbital engineering that complements existing synthesis-based strategies while offering unique advantages for both basic research and device development.

Doping↗
NASA NTRS2013

Surface Passivation by Quantum Exclusion Using Multiple Layers

A semiconductor device has a multilayer doping to provide improved passivation by quantum exclusion. The multilayer doping includes a plurality M of doped layers, where M is an integer greater than 1. The dopant sheet densities in the M doped layers need not be the same, but in principle can be selected to be the same sheet densities or to be different sheet densities. M-1 interleaved layers provided between the M doped layers are not deliberately doped (also referred to as "undoped layers"). Structures with M=2, M=3 and M=4 have been demonstrated and exhibit improved passivation.

Hoenk, Michael E.↗
DOE OSTI2017

Anion-Regulated Selective Generation of Cobalt Sites in Carbon: Toward Superior Bifunctional Electrocatalysis

We report the introduction of active transition metal sites (TMSs) in carbon enables the synthesis of noble-metal-free electrocatalysts for clean energy conversion applications, however, there are often multiple existing forms of TMSs, which are of different natures and catalytic models. Regulating the evolution of distinctive TMSs is highly desirable but remains challenging to date. Anions, as essential elements involved in the synthesis, have been totally neglected previously in the construction of TMSs. Herein, the effects of anions on the creation of different types of TMSs is investigated for the first time. It is found that the active cobalt-nitrogen sites tend to be selectively constructed on the surface of N-doped carbon by using chloride, while metallic cobalt nanoparticles encased in protective graphite layers are the dominant forms of cobalt species with nitrate ions. The obtained catalysts demonstrate cobalt-sites-dependent activity for ORR and HER in acidic media. And the remarkably enhanced catalytic activities approaching that of benchmark Pt/C in acidic medium has been obtained on the catalyst dominated with cobalt-nitrogen sites, confirmed by the advanced spectroscopic . In conclusion, our finding demonstrates a general paradigm of anion-regulated evolution of distinctive TMSs, providing a new pathway for enhancing performances of various targeted reactions related with TMSs.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Probing Nitrogen-Doping Effects in the Core-Shell Structured Catalysts for Bifunctional Electrocatalysis.

The design of core-shell structured catalysts has attracted wide interests due to their remarkable catalytic performances in many fields. Although the nitrogen doping is often integrated in such kind of catalysts, the main contribution is exclusively attributed to the metal sites or the core-shell configuration. The role of nitrogen doping is often believed to be less important, which remains largely unexplored. Here, in an effort to probe the catalytic role of heterogeneous doping in such core-shell structure, the effect of nitrogen doping on the activation of cobalt and iron carbide-based materials for the electrocatalytic reduction of oxygen and the hydrogen evolution reaction is originally revealed. The nitrogen doping in the core-shell structured biphasic interfaces is found to be of critical importance for triggering the electrocatalytic activity and selectivity. Therefore, this study shows the neglected but critical role of nitrogen doping and biphasic interactions in a core-shell configuration, paving a new pathway towards the performance enhancement.

biphasic interfaces↗
DOE OSTI2021

Nanoscale Design of Pd-Based Electrocatalysts for Oxygen Reduction Reaction Enhancement in Alkaline Media

Palladium (Pd)-based electrocatalysts have recently emerged as one class of the foremost promising candidates for the oxygen reduction reaction (ORR) in alkaline media due to their excellent ORR activity and durability and lower costs compared with platinum. Insightful design of Pd-based nano-architectures with optimized active surface sites and maximal intrinsic performance is central to promoting the ORR applications. To further accelerate the sluggish ORR kinetics at the cathode of fuel cells and substantially decrease the overall cost of the electrocatalysts, various strategies, including controlled sizes and shapes with selected crystallographic facets, crystal-phase engineering, heteroatom doping, tailored surface strains, and surface engineering by de-alloying, have been extensively developed in the past decade. Here in this review, a brief introduction to the fundamental ORR mechanisms of Pd-based electrocatalysts in alkaline media is presented, followed by a thorough discussion on various strategies for delicately designing high-performance Pd-based catalysts with corresponding examples. Thereafter, the perspectives and new insights into the challenges are outlined, and some emerging research directions related to the rational design and controlled synthesis of Pd-based ORR electrocatalysts are also proposed.

36 MATERIALS SCIENCE↗
DOE OSTI2018

The Effect of Boron on the Structure and Conductivity of Thin Films Obtained by Laser Ablation of Diamond with Deposition at 700°C

Structural features of CB{sub x} films obtained by pulsed laser ablation of targets made of pressed diamond powder with boron-powder additions at B/C atomic ratio of x = 0.33 have been studied. The films were deposited on heated substrates, so that diffusion processes involving C and B atoms on the surface and in the volume of films were possible. Selected conditions of film deposition ensured their effective doping with boron (0.4 ≤ x ≤ 0.6). The incorporation of B atoms was accompanied by the formation of B–C chemical bonds, whereas the formation of sp{sup 2} graphite bonds and their ordering in clusters with laminar packing was suppressed. The films possessed very low resistivity (~1.4 mΩ cm) at room temperature and exhibited metallic type of conductance on decreasing the temperature to 77 K.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1989

N/P InP homojunction solar cells with an In0.53Ga0.47As contacting layer grown by liquid phase epitaxy

N/P InP homojunction solar cells with an In sub 0.53 Ga sub 0.47 As contacting layer were fabricated by liquid phase epitaxy (LPE). Electron-Beam-Induced-Current (EBIC) measurements were performed on several selected samples. It was found that the background doping level in the base region sometimes results in a deep junction, which greatly affects the cell performance.

Shen, C. C.↗
NASA NTRS2002

Holographic Gratings for Optical Processing

Investigation of astronomical objects and tracking of man-made space objects lead to generation of huge amount of information for optical processing. Traditional big-size optical elements (such as optical telescopes) have a tendency for increasing aperture size in order to improve sensitivity. This tendency leads to increasing of weight and costs of optical systems and stimulate search for the new, more adequate technologies. One approach to meet these demands is based on developing of holographic optical elements using new polymeric materials. We have investigated possibility to use new material PQ-PMMA (phenantrenequinone-doped PMMA (Polymethyl Methacrylate)) for fabrication of highly selective optical filters and fast spatial-temporal light modulators. This material was originally developed in Russia and later was tested in CalTech as a candidate material for optical storage. Our theoretical investigation predicts the possibility of realization of fast spatial and temporal light modulation, using volume reflection-type spectral filter. We have developed also model of holographic-grating recording in PQ-PMMA material, based on diffusional amplification. This mechanism of recording allow to receive high diffraction efficiency during recording of reflection-type volume holographic grating (holographic mirror). We also investigated recording of dynamic gratings in the photorefractive crystals LiNbO3 (LN) for space-based spectroscopy and for adaptive correction of aberrations in the telescope's mirrors. We have shown, that specific 'photogalvanic' mechanism of holographic grating recording in LN allow to realize recording of blazed gratings for volume and surface gratings. Possible applications of dynamic gratings in LN for amplification of images, transmitted through an imaging fiber guide was also demonstrated.

Nickolai Kukhtarev↗
NASA NTRS2007

2-.mu.m fiber amplified spontaneous emission (ASE) source

A 2-.mu.m fiber Amplified Spontaneous Emission (ASE) source provides a wide emission bandwidth and improved spectral stability/purity for a given output power. The fiber ASE source is formed from a heavy metal oxide multicomponent glass selected from germanate, tellurite and bismuth oxides and doped with high concentrations, 0.5-15 wt. %, thulium oxides (Tm.sub.2O.sub.3) or 0.1-5 wt% holmium oxides (Ho.sub.2O.sub.3) or mixtures thereof. The high concentration of thulium dopants provide highly efficient pump absorption and high quantum efficiency. Co-doping of Tm and Ho can broaden the ASE spectrum.

Jiang, Shibin↗
DOE OSTI2018

Dispersion, damping, and intensity of spin excitations in the monolayer ( Bi,Pb ) 2 ( Sr,La ) 2 CuO 6 + δ cuprate superconductor family

Using Cu-${L}_{3}$ edge resonant inelastic x-ray scattering (RIXS) we measured here the dispersion and damping of spin excitations (magnons and paramagnons) in the high-${T}_{\mathrm{c}}$ superconductor ${(\text{Bi,Pb})}_{2}{(\text{Sr,La})}_{2}{\mathrm{CuO}}_{6+{\delta}}$ (Bi2201), for a large doping range across the phase diagram $(0.03{\lesssim}p{\lesssim}0.21)$. Selected measurements with full polarization analysis unambiguously demonstrate the spin-flip character of these excitations, even in the overdoped sample. We find that the undamped frequencies increase slightly with doping for all accessible momenta, while the damping grows rapidly, faster in the $(0,0){\rightarrow}(0.5,0.5)$ nodal direction than in the $(0,0){\rightarrow}(0.5,0)$ antinodal direction. We compare the experimental results to numerically exact determinant quantum Monte Carlo (DQMC) calculations that provide the spin dynamical structure factor $S(\mathbf{Q},{\omega})$ of the three-band Hubbard model. The theory reproduces well the momentum and doping dependence of the dispersions and spectral weights of magnetic excitations. These results provide compelling evidence that paramagnons, although increasingly damped, persist across the superconducting dome of the cuprate phase diagram; this implies that long-range antiferromagnetic correlations are quickly washed away, while short-range magnetic interactions are little affected by doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Hund's coupling assisted orbital-selective superconductivity in Ba1-xKxFe2As2

While the superconducting transition temperature of hole-doped Ba_{1-x}K_{x}Fe_{2}As_{2} decreases past optimal doping, superconductivity does not completely disappear even for the fully doped KFe_{2}As_{2} compound. In fact, superconductivity is robust through a Lifshitz transition where electron bands become hole-like around the zone corner at around x=0.7, thus challenging the conventional understanding of superconductivity in iron-based systems. High-resolution angle-resolved photoemission spectroscopy is used to investigate the superconducting gap structure, as well as the normal state electronic structure, around optimal doping and across the Lifshitz transition. Our findings reveal a largely orbital-dependent superconducting gap structure, where the more strongly correlated d_{xy} band has a vanishing superconducting gap at higher doping, aligning with the Hund's metal behavior observed in the normal state. Notably, the superconducting gap on the d_{xy} band disappears before the Lifshitz transition, suggesting that the Fermi surface topology may play a secondary role. We discuss how these results point to orbital-selective superconducting pairing and how strong correlations via Hund's coupling may shape superconducting gap structures in iron-based and other multiorbital superconductors.

FOS: Physical sciences↗