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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Weak Electron–Phonon Coupling and Enhanced Thermoelectric Performance in n-type PbTe–Cu 2 Se via Dynamic Phase Conversion

This study investigates Ga-doped n-type PbTe thermoelectric materials and the dynamic phase conversion process of the second phases via Cu 2 Se alloying. Introducing Cu 2 Se enhances its electrical transport properties while reducing its lattice thermal conductivity (κlat) via weak electron–phonon coupling. Additionally, Cu 2 Te and CuGa(Te/Se) 2 (tetragonal phase) nanocrystals precipitate during the alloying process, resulting in Te vacancies and interstitial Cu in the PbTe matrix. At room temperature, Te vacancies and interstitial Cu atoms serve as n-type dopants, increasing the carrier concentration and electrical conductivity from ≈1.18 × 10 19 cm –3 and ≈1870 S cm –1 to ≈2.26 × 10 19 cm –3 and ≈3029 S cm –1 , respectively. With increasing temperature, the sample exhibits a dynamic change in Cu 2 Te content and the generation of a new phase of CuGa(Te/Se) 2 (cubic phase), strengthening the phonon scattering and obtaining an ultralow k lat . Pb 0.975 Ga 0.025 Te-3%CuSe exhibits a maximum figure of merit of ≈1.63 at 823 K, making it promising for intermediate-temperature device applications.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Vapor Phase Infiltration of Titanium Oxide into P3HT to Create Organic–Inorganic Hybrid Photocatalysts

Herein, we report for the first time the use of vapor phase infiltration (VPI) to infuse conducting polymers with inorganic metal oxide clusters that together form a photocatalytic material. While vapor infiltration has previously been used to electrically dope conjugated polymers, this is the first time, to our knowledge, that the resultant hybrid material has been demonstrated to have photocatalytic properties. The system studied is poly(3-hexylthiophene-2,5-diyl) (P3HT) vapor infiltrated with TiCl 4 and H 2 O to create P3HT-TiO x organic–inorganic hybrid photocatalytic materials. X-ray photoelectron spectroscopy analysis shows that P3HT-TiO x VPI films consist of a partially oxidized P3HT matrix, and the infiltrated titanium inorganic is in a 4+ oxidation state with mostly oxide coordination. Upon visible light illumination, these P3HT-TiO x hybrids degrade methylene blue dye molecules. The P3HT-TiO x hybrids are 4.6× more photocatalytically active than either the P3HT or TiO 2 individually or when sequentially deposited (e.g., P3HT on TiO 2 ). On a per surface area basis, these hybrid photocatalysts are comparable or better than other best in class polymer semiconductor photocatalysts. VPI of TiCl 4 + H 2 O into P3HT makes a unique hybrid structure and idealized photocatalyst architecture by creating nanoscale TiO x clusters concentrated toward the surface achieving extremely high catalytic rates. The mechanism for this enhanced photocatalytic rate is understood using photoluminescence spectroscopy, which shows significant quenching of excitons in P3HT-TiO x as compared to neat P3HT, indicating that P3HT acts as a photosensitizer for the TiO x catalyst sites in the hybrid material. This work introduces a new approach to designing and synthesizing organic–inorganic hybrid photocatalytic materials, with expansive opportunities for further exploration and optimization.

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

Formation of Coherent 1H–1T Heterostructures in Single-Layer MoS 2 on Au(111)

Heterojunctions of semiconductors and metals are the fundamental building blocks of modern electronics. Coherent heterostructures between dissimilar materials can be achieved by composition, doping, or heteroepitaxy of chemically different elements. Here, we report the formation of coherent single-layer 1H–1T MoS 2 heterostructures by mechanical exfoliation on Au(111), which are chemically homogeneous with matched lattices but show electronically distinct semiconducting (1H phase) and metallic (1T phase) character, with the formation of these heterojunctions attributed to a combination of lattice strain and charge transfer. The exfoliation approach employed is free of tape residues usually found in many exfoliation methods and yields single-layer MoS 2 with millimeter (mm) size on the Au surface. Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), scanning tunneling microscopy (STM), and scanning tunneling spectroscopy (STS) have collectively been employed to elucidate the structural and electronic properties of MoS 2 monolayers on Au substrates. Bubbles in the MoS 2 formed by the trapping of ambient adsorbates beneath the single layer during deposition, have also been observed and characterized. Lastly, our work here provides a basis to produce two-dimensional heterostructures which represent potential candidates for future electronic devices.

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

Titanium-, Nitrogen-Doped Carbon Flowers Catalyze Electrochemical Nitrate Reduction Reaction to Ammonia

An emerging design heuristic for electrochemical nitrate reduction (NO 3 RR) catalysts is synthesizing electron-deficient sites to facilitate binding of electron-rich NO 3 – . However, this rule has rarely been applied to metal-, nitrogen-doped carbon (MNC) catalysts. Titanium (Ti), with low electronegativity and high NO 3 RR reactivity, is a compelling MNC candidate. To date, atomically dispersed TiN x motifs have eluded synthesis due to the strong oxophilicity of Ti. Here, in this work, we leverage nitrogen-rich carbon flowers (CF) to overcome synthetic challenges and produce Ti-, N-doped carbon flower (TiCF) catalysts. Advanced materials characterization demonstrates that TiCF catalysts are a mixed phase material with 3/4 of Ti atoms in TiO 2 -like nanoparticles and 1/4 of Ti atoms in novel, atomically dispersed TiN x sites. TiCF achieves 61 ± 7% NH 3 -selectivity at −0.70 V vs RHE and 14 ± 5 mA/cm 2 to NH 3 formation (| j NH 3 |) at −0.85 V vs RHE in (0.1 M NaOH + 0.1 M NaNO 3 + 0.45 M Na 2 SO 4 ) electrolyte. Control studies show both CF morphology and Ti sites are essential for high NO 3 RR activity. Density functional theory calculations attribute the NO3RR reactivity to TiN x , which facilitates multiple bond formation with surface intermediates to promote favorable NH3 synthesis pathways. Thus, TiCF exhibits 60× higher | j NH 3 | values than bulk Ti and NH 3 yield rates (>0.06 mmol NH 3 /h/cm 2 ) that are competitive with state-of-the-art MNC catalysts (e.g., FeNC, CuNC). TiCF introduces a new class of Ti electrocatalysts, advancing the MNC design space and sustainable NH 3 production.

ammonia↗
DOE OSTI2022

Critical role of acceptor dopants in designing highly stable and compatible proton-conducting electrolytes for reversible solid oxide cells

Proton-conducting electrolytes are receiving increasing attention due to their high ionic conductivity at intermediate temperatures, enabling the operation of solid oxide cells with high energy efficiency at low cost. However, the effect of B-site dopants on the properties of doped barium hafnate-cerate electrolyte materials, especially in single cells under operating conditions, has not been systematically studied. Here we report our findings in the development of a series of proton-conducting electrolytes with a general formula of BaHf 0.1 Ce 0.7 R 0.2 O 3–δ (BHCR172, R = Yb, Er, Y, Gd, Sm). Here, the results reveal that electrical conductivity, ionic transference number, chemical stability against steam and CO 2 , and compatibility with NiO during sintering are all closely correlated with the dopant size. In particular, the reaction with NiO is found to strongly affect the properties of the electrolytes and hence cell performance. Among all tested compositions, BaHf 0.1 Ce 0.7 Yb 0.2 O 3–δ (BHCYb172) shows excellent chemical stability and minimal reactivity towards NiO, as predicted from density functional theory (DFT)-based calculations and confirmed by experimental results. In addition, proton-conducting reversible solid oxide cells (P-ReSOCs) based on the optimized electrolyte composition, BHCYb172, demonstrate exceptional performance and stability, achieving a remarkable peak power density of 1.74 W cm –2 (O 2 as the oxidant) at 600 °C in the fuel cell mode and a high current density of 2.0 A cm –2 at 1.3 V and 600 °C in the steam electrolysis mode while maintaining excellent durability for over 1000 h.

25 ENERGY STORAGE↗
DOE OSTI2022

A portable fiber optic sensor for the luminescent sensing of cobalt ions using carbon dots

Cobalt is critical to energy-relevant technologies, and demand for cobalt will increase significantly with growing global adoption of renewables. However, supply chain stability is threatened by economic and geopolitical factors, incentivizing domestic cobalt production from alternative resources such as coal, coal utilization byproducts (e.g., ash, acid mine drainage) and electronic waste. Rapid, inexpensive, and portable characterization techniques are needed to reduce production costs associated with cobalt prospecting and process monitoring. Here, in this research, we develop a compact, portable fiber optic luminescent probe for cobalt using phosphorus and nitrogen co-doped carbon dots as the sensing material. The carbon dot emission overlaps well with the cobalt absorption band at ~510 nm, leading to a selective decrease in emission as a function of cobalt concentration. The system responds nearly instantly to the presence of cobalt, with detection limits of 0.7 and 3.5 ppm in water and pH 1.68 buffer, respectively, providing comparable performance to a commercial spectrometer at a significantly lower cost. Moreover, the sensor is selective for cobalt in the presence of 13 of the most common metal ions encountered in coal utilization byproducts and is responsive to cobalt when spiked into an acid mine drainage leachate sample, highlighting the sensor's potential for real-world deployment in challenging matrices. In addition, integrating the carbon dots with a filter paper substrate produced ‘test strip’ sensors that exhibited a selective and sensitive visual response to cobalt using a handheld UV lamp. Taken together, the sensing system represents a significant step forward in the development of low-cost practical sensors for high-value metals in complex streams.

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

SolAero 2020: III-V Metamorphic Graded Buffers (CRADA Final Report)

The effort by the National Renewable Energy Laboratory (NREL) for SolAero Technologies Corp (SolAero) will involve helping with four tasks: 1) Supporting the development, characterization, and optimization of metamorphic grades in III-V multi-junction solar cells, 2) Doping of III-V semiconductor materials and junctions, and 3) Incorporating strain balanced layers into solar cells, and 4) high efficiency germanium based solar cells.

14 SOLAR ENERGY↗
DOE OSTI2026

GaN Core-shell Nanofin Vertical Transistor (CoNVerT): A New Direction for Power Electronics (Final Scientific/Technical Report)

A novel power transistor architecture, the GaN c ore-shell n anofin ver tical transistor (CoNVerT) to address fundamental challenges in realizing the ultimate limit of GaN power transistor performance was explored experimentally. This technology promises ultra-high-efficiency high voltage/high power applications (e.g. DC/DC converters, motor control, fast charging, actuation), as well as to operate in harsh environments. The device exploits a vertical superjunction structure based on an experimentally-validated core-shell nanofin growth process in which lateral p-n heterojunctions are formed in a single growth step, while still maintaining vertical current flow for compact die size and low cost. The concept leverages the best properties of GaN for mid-range voltage applications: high mobility, high breakdown voltage, and native heterojunction enhancement-mode operation. Due to the crystallographic nature of the nanofin growth by molecular beam epitaxy, the sidewall heterojunctions occur on non-polar planes, resulting in ultra-smooth interfaces for high mobility, no sidewall etch damage and related surface/interface states, and elimination of piezoelectric effects that can limit reliability in conventional structures. This also facilitates superjunction formation for maximum device performance, and the selective-area growth of the nanofin results in dislocation-free growth, even on low-cost Si (111) substrate. In this program, core-shell nanofins were grown by molecular beam epitaxy, test structures to evaluate the doping, resistivity, and other electrical properties were fabricated, and the material and test structures were characterized in detail. The work identified clear potential (e.g., the doping was well controlled as required for superjunction concepts), but also additional areas that require additional effort to resolve (some unexpected crystal defects were encountered that require additional engineering to overcome). Simulation studies of the proposed concept validate that the fundamental approach is very promising, but additional effort in experimental realization is needed.

42 ENGINEERING↗
DOE OSTI2020

Investigation of Bone Growth in Additive-Manufactured Pedicle Screw Implant by Using Ti-6Al-4V and Bioactive Glass Powder Composite

In this study, we optimized the geometry and composition of additive-manufactured pedicle screws. Metal powders of titanium-aluminum-vanadium (Ti-6Al-4V) were mixed with reactive glass-ceramic biomaterials of bioactive glass (BG) powders. To optimize the geometry of pedicle screws, we applied a novel numerical approach to proposing the optimal shape of the healing chamber to promote biological healing. We examined the geometry and composition effects of pedicle screw implants on the interfacial autologous bone attachment and bone graft incorporation through in vivo studies. The addition of an optimal amount of BG to Ti-6Al-4V leads to a lower elastic modulus of the ceramic-metal composite material, effectively reducing the stress-shielding effects. Pedicle screw implants with optimal shape design and made of the composite material of Ti-6Al-4V doped with BG fabricated through additive manufacturing exhibit greater osseointegration and a more rapid bone volume fraction during the fracture healing process 120 days after implantation, per in vivo studies.

stress-shielding effect↗
DOE OSTI2023

Redox Chemistry of the Subphases of α-CsPbI2Br and β-CsPbI2Br: Theory Reveals New Potential for Photostability

The logic in the design of a halide-mixed APb(I 1-x Br x ) 3 perovskite is quite straightforward: to combine the superior photovoltaic qualities of iodine-based perovskites with the increased stability of bromine-based perovskites. However, even small amounts of Br doped into the iodine-based materials leads to some instability. In the present report, using first-principles computations, we analyzed a wide variety of α-CsPbI 2 Br and β-CsPbI 2 Br phases, compared their mixing enthalpies, explored their oxidative properties, and calculated their hole-coupled and hole-free charged Frenkel defect (CFD) formations by considering all possible channels of oxidation. Nanoinclusions of bromine-rich phases in α-CsPbI 2 Br were shown to destabilize the material by inducing lattice strain, making it more susceptible to oxidation. The uniformly mixed phase of α-CsPbI 2 Br was shown to be highly susceptible towards a phase transformation into β-CsPbI 2 Br when halide interstitial or halide vacancy defects were introduced into the lattice. The rotation of PbI 4 Br 2 octahedra in α-CsPbI2Br allows it either to transform into a highly unstable apical β-CsPbI 2 Br, which may phase-segregate and is susceptible to CFD, or to phase-transform into equatorial β-CsPbI 2 Br, which is resilient against the deleterious effects of hole oxidation (energies of oxidation >0 eV) and demixing (energy of mixing <0 eV). Thus, the selective preparation of equatorial β-CsPbI 2 Br offers an opportunity to obtain a mixed perovskite material with enhanced photostability and an intermediate bandgap between its constituent perovskites.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Photoemission from cesium-oxide-activated InGaAsP.

Zinc-doped InGaAsP quaternary III-V material of the proper composition range shows superior photoemission properties to either InGaAs or InAsP ternary material. The minority-carrier diffusion length in the quaternary material is at least as long as that in InAsP and much longer than observed in InGaAs. The barrier height at the InGaAsP-Cs2O interface is lowered by cooling, giving increased electron escape probability and new highs in quantum efficiency over a wide wavelength range. For example, a 1.06-micron quantum efficiency of 7.5%/incident photon was observed at -90 C.

James, L. W.↗
NASA NTRS1974

Influence of gravity-free solidification on microsegregation

Single crystalline germanium has been grown for the first time in space aboard Skylab Mission No. 2. The crystal growth experiment, designed to characterize the influence of gravity-free solidification on microsegregation of a semiconductor material, contained three crystals. One was doped with Ga; the second with Sb; and the third with B. Portions of the germanium crystals were remelted and subsequently resolidified at 5 microns per second under controlled conditions by the gradient freeze technique. Detailed spreading resistance measurements made on the Ga doped Ge crystals indicate that microsegregation in space is reduced by two to five-fold in the bulk and eight-fold near the surface, while macrosegregation in space is reduced by six-fold in the bulk. The effective segregation coefficient for Ga in Ge was analyzed extensively and was found to be larger for space solidification. This has the implication that the solute boundary layer at the growth interface in space is correspondingly thinner. The solidification interface is significantly smoother and is found to be initially convex toward the melt in space. A convective mixing model has been advanced to explain the absence of gravity on convective mixing and solute segregation during solidification.

Yue, J. T.↗
NASA NTRS1987

Titanium-doped sapphire laser research and design study

Three main topics were considered in this study: the fundamental laser parameters of titanium-doped sapphire, characterization of commercially grown material, and design of a tunable, narrow-linewidth laser. Fundamental parameters investigated included the gain cross section, upper-state lifetime as a function of temperature and the surface-damage threshold. Commercial material was found to vary widely in the level of absorption of the laser wavelength with the highest absorption in Czochralski-grown crystals. Several Yi:sapphire lasers were constructed, including a multimode laser with greater than 50mJ of output energy and a single-transverse-mode ring laser, whose spectral and temporal characteristics were completely characterized. A design for a narrow-linewidth (single-frequency) Ti:sapphire laser was developed, based on the results of the experimental work. The design involves the use of a single-frequency, quasi-cw master oscillator, employed as an injection source for a pulsed ring laser.

Moulton, Peter F.↗
NASA NTRS1988

Development of mid-infrared solid state lasers for spaceborne lidar

This semiannual progress report covers work performed during the period from April 13, 1988 to October 13, 1988 under NASA grant number NAG-1-877 entitled, Development of mid-infrared solid state lasers for spaceborne lidar. We have designed a flashlamp-pumped Cr3(+);GSAG laser of pulsed laser energy greater than 200 mJ and of pulse width of 1 ms FWHM to simulate a high-power laser diode in pumping mid-infrared laser crystals such as Tm3(+), Er3(+), and/or Ho3(+)-ion doped YAG, YLF or other host materials. This Cr3(+);GSAG laser will be used to determine optimum conditions for laser diode pumped mid-infrared lasers, maximum energy extraction limit with longitudinal pumping, thermal damage limit, and other problems related to high power laser diode pumping. We have completed a modification of an existing flashlamp-pumped and liquid nitrogen cooled rare earth laser system for 60 J electrical input energy and a 500 micron pulse width, and have carried out preliminary experiments with a Ho(+):Er3(+):Tm3(+):YAG crystal to test the system performance. This flashlamp-pumped rare earth laser system will be used to determine optimum Tm3(+)-ion concentration in Ho3(+):Cr3(+):Tm3(+):YAG crystal in the remaining research period.

Whitney, Donald A.↗
NASA NTRS1992

Long-term life testing of Geostationary Operational Environmental Satellite (GOES) encoder lamps

The aging characteristics and lifetimes of tungsten filament encoder lamps were determined as a function of operating voltage and filament material. For pure tungsten and thoria doped (1 pct.) filament lamps, crystal grain growth over the center portion of the filament leads to the ultimate failure of the lamp. The development of notches associated with this grain growth is the cause of lamp burn out. Eventually, one of the notches will 'etch' through the filament, causing it to fail open. For rhenium doped (3 pct.) filament lamps, distortion of the filament leads to the ultimate failure of the lamp. The lifetime of these lamps is about 1 year at an operating voltage of 5.0 volts. The pure tungsten filament lamps have the longest average lifetime, and the thoria doped filament lamps have the shortest at 5.0 volts. The lifetimes of these lamps is about 7 years at an operating voltage of 3.5 volts. Data suggest that the rhenium doped lamps will have the longest average lifetime at 3.5 volts, and the thoria doped will have the shortest. These lifetimes are comparable to the desired lifetimes of 7 years.

Powers, Charles E.↗