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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

The importance of sulfonate to the self-doping mechanism of the water-soluble conjugated polyelectrolyte PCPDTBT-SO 3 K

The conjugated polyelectrolyte poly[2,6-(4,4-bis-potassium butanylsulfonate-4H-cyclopenta-[2,1-b;3,4-b']-dithiophene)-alt-4,7-(2,1,3-benzothiadiazole)] (PCPDTBTSO 3 K, or CPE-K) is part of a unique class of organic semiconducting polymers that are soluble in water and become doped in the presence of a proton source. One of these proton sources is water, which CPE-K is exposed to during purification by dialysis, allowing for its immediate use without an additional doping step. Previous studies have suggested that the actual dopant is H + , and that the addition of sodium hydroxide to CPE-K reverses the process and de-dopes the polymer. Curiously, the majority of these water-soluble self-doped polymers in the literature contain a pendant sulfonate group. However, a detailed study to gain insight into the importance of the sulfonate group in water-soluble self-doped polymer systems is lacking, despite its widespread presence in the literature. In this work, using Fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), and ultraviolet-visible-near infrared (UV-vis-NIR) absorption spectroscopy, we are able to elucidate the role of the pendant sulfonate group with regards to the fundamental doping mechanism of CPE-K. Specifically, we found the CPDT unit can be protonated by water, which is due to both the stabilizing influence of the sulfonate group, and the relatively high oxidation potential of the CPDT unit, both of which are required for self-doped water soluble polymer systems. Furthermore, we estimate the doping efficiency of CPE-K using electrical measurements and X-ray reflectivity (XRR), and reveal several different methods for the doping and de-doping of this material, showcasing this particular material's superior versatility.

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

Neutron diffraction study of magnetism in van der Waals layered MnBi 2n Te 3n+1

Two-dimensional van der Waals MnBi 2 n Te 3 n +1 ( n = 1, 2, 3, 4) compounds have been recently found to be intrinsic magnetic topological insulators rendering quantum anomalous Hall effect and diverse topological states. Here, we summarize and compare the crystal and magnetic structures of this family, and discuss the effects of chemical composition on their magnetism. We found that a considerable fraction of Bi occupies at the Mn sites in MnBi 2 n Te 3 n +1 ( n = 1, 2, 3, 4) while there is no detectable Mn at the non-magnetic atomic sites within the resolution of neutron diffraction experiments. The occupancy of Mn monotonically decreases with the increase of n . The polarized neutron diffraction on the representative MnBi 4 Te 7 reveals that its magnetization density is exclusively accumulated at the Mn site, in good agreement with the results from the unpolarized neutron diffraction. The defects of Bi at the Mn site naturally explain the continuously reduced saturated magnetic moments from n = 1 to n = 4. The experimentally estimated critical exponents of all the compounds generally suggest a three-dimensional character of magnetism. Our work provides material-specified structural parameters that may be useful for band structure calculations to understand the observed topological surface states and for designing quantum magnetic materials through chemical doping.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Single crystal growth and electronic structure of Rh-doped Sr 3 Ir 2 O 7

Ruddlesden-Popper iridate Sr 3 Ir 2 O 7 is a spin–orbit coupled Mott insulator. Hole doped Sr 3 Ir 2 O 7 provides an ideal platform to study the exotic quantum phenomena that occur near the metal–insulator transition (MIT) region. Rh substitution of Ir is an effective method to induce hole doping into Sr 3 Ir 2 O 7 . However, the highest doping level reported in Sr 3 (Ir 1− x Rh x ) 2 O 7 single crystals was only around 3%, which is far from the MIT region. In this paper, we report the successful growth of single crystals of Sr 3 (Ir 1− x Rh x ) 2 O 7 with a doping level of ~ 9%. The samples have been fully characterized, demonstrating the high quality of the single crystals. Transport measurements have been carried out, confirming the tendency of MIT in these samples. The electronic structure has also been examined by angle-resolved photoemission spectroscopy (ARPES) measurements. Our results establish a platform to investigate the heavily hole doped Sr 3 Ir 2 O 7 compound, which also provide new insights into the MIT with hole doping in this material system.

Physics↗
DOE OSTI2020

Emergence of p+ip superconductivity in two-dimensional doped Dirac systems

Searching for the $p + ip$ superconducting (SC) state has become a fascinating subject in condensed matter physics recently, as a dream application awaiting in topological quantum computation. Unfortunately, so far there is no universal principle for realizing $p + ip$ in generic solid-state systems. Here we report a theoretical discovery of a $p + ip$ SC ground state (coexisting with ferromagnetic order) in the honeycomb lattice Hubbard model in the extremely strong-coupling limit (e.g., infinite U) at low doping $(δ < 0.2)$, by using both the state-of-art Grassmann tensor product state approach and a continuum quantum field theory approach. Our discovery suggests a mechanism for the $p + ip$ SC state in generic strongly correlated systems based on spin-charge separation and the charge current–current coupling scenario, which opens a door towards experimental realization. The $p + ip$ SC state has an instability towards a potential non-Fermi liquid with a large but finite U . Nevertheless, by applying an in-plane Zeeman field, such a $p + ip$ SC state can be stabilized with finite U in a very wide range of doping. Relevant realistic materials are also proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Electronic Tuning in URu2Si2 Through Ru to Pt Chemical Substitution

Studies that control the unit cell volume and electronic composition have been useful in revealing what factors lead to hidden order and superconductivity in the strongly correlated electron system URu 2 Si 2 . For example, isoelectronic tuning that increases the hybridization between the f and conduction electron states (i.e., applied pressure and Ru → Fe/Os chemical substitution) 1) converts hidden order into antiferromagnetism and 2) destroys the superconductivity. The impact of nonisoelectronic chemical substitution has been less clear, but several unifying trends have recently emerged for chemical substitution vectors that qualitatively add electrons (e.g., Ru → Rh/Ir and Si → P). This includes 1) the rapid destruction of hidden order and superconductivity, 2) composition regions where the underlying Kondo lattice is preserved but does not harbor an ordered state, and 3) the emergence of complex magnetism at large substitutions. In order to assess the limits of this perspective, we have investigated the series U(Ru 1− x Pt x ) 2 Si 2 for x ≲ 0.19, where the Ru and Pt d -shells differ substantially from each other. Magnetic susceptibility, electrical resistivity, and heat capacity measurements unexpectedly reveal a phase diagram with notable similarities to those of other electron doping series. This result reinforces the viewpoint that there is a quasi-universal affect that results from electron doping in this material, and we anticipate that an understanding of these trends will be useful to isolate what factors are foundational for hidden order and superconductivity.

36 MATERIALS SCIENCE↗
NASA NTRS1976

III-V photocathode with nitrogen doping for increased quantum efficiency

An increase in the quantum efficiency of a 3-5 photocathode is achieved by doping its semiconductor material with an acceptor and nitrogen, a column-5 isoelectronic element, that introduces a spatially localized energy level just below the conduction band similar to a donor level to which optical transitions can occur. This increases the absorption coefficient, alpha without compensation of the acceptor dopant. A layer of a suitable 1-5, 1-6 or 1-7 compound is included as an activation layer on the electron emission side to lower the work function of the photocathode.

James, L. W.↗
NASA NTRS1988

Automatic Replenishment Of Dopant In Silicon Growth

Dopant incorporated feed pellets to maintain required concentration. Technique of continuous replenishment of dopant in silicon melt helps ensure correct resistivity in solid silicon grown from melt. Technique used in dendritic-web growth process in which ribbon of silicon continously pulled from molten material. Providing uniform doping and resistivity in ribbon technique enables production of high-quality silicon ribbon at high yields for use in semiconductor devices.

Kochka, E. L.↗
NASA NTRS1998

HO:LULF and HO:LULF Laser Materials

A laser host material LULF (LuLiF4) is doped with holmium (Ho) and thulium (Tm) to produce a new laser material that is capable of laser light production in the vicinity of 2 microns. The material provides an advantage in efficiency over conventional Ho lasers because the LULF host material allows for decreased threshold and upconversion over such hosts as YAG and YLF. The addition of Tm allows for pumping by commonly available GaAlAs laser diodes. For use with flashlamp pumping, erbium (Er) may be added as an additional dopant. For further upconversion reduction, the Tm can be eliminated and the Ho can be directly pumped.

Barnes, Norman P.↗
NASA NTRS2012

885-nm Pumped Ceramic Nd:YAG Master Oscillator Power Amplifier Laser System

The performance of a traditional diode pumped solid-state laser that is typically pumped with 808-nm laser diode array (LDA) and crystalline Nd:YAG was improved by using 885-nm LDAs and ceramic Nd:YAG. The advantage is lower quantum defect, which will improve the thermal loading on laser gain medium, resulting in a higher-performance laser. The use of ceramic Nd:YAG allows a higher Nd dopant level that will make up the lower absorption at the 885-nm wavelength on Nd:YAG. When compared to traditional 808-nm pump, 885-nm diodes will have 30% less thermal load (or wasted heat) and will thus see a similar percentage improvement in the overall laser efficiency. In order to provide a more efficient laser system for future flight missions that require the use of low-repetition- rate ( 1% Nd. To make certain that the absorption at 885 nm is on the same par as the 808-nm diode, the Nd:YAG material needs to be doped with higher concentration of Nd. Ceramic Nd:YAG is the only material that can be tailored to specific needs.

Yu, Anthony↗
NASA NTRS2013

Kinetic Monte Carlo Simulation of Cation Diffusion in Low-K Ceramics

Low thermal conductivity (low-K) ceramic materials are of interest to the aerospace community for use as the thermal barrier component of coating systems for turbine engine components. In particular, zirconia-based materials exhibit both low thermal conductivity and structural stability at high temperature, making them suitable for such applications. Because creep is one of the potential failure modes, and because diffusion is a mechanism by which creep takes place, we have performed computer simulations of cation diffusion in a variety of zirconia-based low-K materials. The kinetic Monte Carlo simulation method is an alternative to the more widely known molecular dynamics (MD) method. It is designed to study "infrequent-event" processes, such as diffusion, for which MD simulation can be highly inefficient. We describe the results of kinetic Monte Carlo computer simulations of cation diffusion in several zirconia-based materials, specifically, zirconia doped with Y, Gd, Nb and Yb. Diffusion paths are identified, and migration energy barriers are obtained from density functional calculations and from the literature. We present results on the temperature dependence of the diffusivity, and on the effects of the presence of oxygen vacancies in cation diffusion barrier complexes as well.

Good, Brian↗
NASA NTRS2019

High Performance GaN/AlGaN Ultraviolet Avalanche Photodiode Detector Technologies

Detection of ultraviolet (UV) bands provides distinct advantages for NASA, defense, and commercial applications, including increased spatial resolution, small pixel sizes, and large format arrays. AlxGa1-xN semiconductor alloys have attracted great interest for detection in the UV spectral region because of their potential for high optical gain, high sensitivity, and low dark current performance in ultraviolet avalanche photodiodes (UV-APDs). We are developing GaN/AlGaN UV-APDs that demonstrate consistent and reliable UV-APD performance and operation. For these UV detectors we have measured gains of above 5×10(exp 6) and high quantum efficiencies at ~350 nm enabled by a strong avalanche multiplication process. These UV-APDs are fabricated through high quality metal organic chemical vapor deposition (MOCVD) growth on lattice-matched, low dislocation density GaN substrates with optimized GaN/AlGaN UV-APD material growth and doping parameters. The high performance, variable-area GaN/AlGaN UV-APD detectors and arrays can be customized to a wide variety of sizes including large-area formats to enable sensing and high-resolution detection over UV bands of interest.

Sood, Ashok K.↗
NASA NTRS2019

GaN/AlGaN Avalanche Photodiode Detectors for High Performance Ultraviolet Sensing Applications

The shorter wavelengths of the ultraviolet (UV) band enable detectors to operate with increased spatial resolution, variable pixel sizes, and large format arrays, benefitting a variety of NASA, defense, and commercial applications. AlxGa1-xN semiconductor alloys, which have attracted much interest for detection in the UV spectral region, have been shown to enable high optical gains, high sensitivities with the potential for single photon detection, and low dark current performance in ultraviolet avalanche photodiodes (UV-APDs). We are developing GaN/AlGaN UV-APDs with large pixel sizes that demonstrate consistent and uniform device performance and operation. These UV-APDs are fabricated through high quality metal organic chemical vapor deposition (MOCVD) growth on lattice-matched, low dislocation density GaN substrates with optimized material growth and doping parameters. The use of these low defect density substrates is a critical element to realizing highly sensitive UV-APDs and arrays with suppressed dark current under high electric fields.Optical gains greater than 5X10 (exp 6) with enhanced quantum efficiencies over the 350-400 nm spectral range have been demonstrated, enabled by a strong avalanche multiplication process. Furthermore, we are developing 6X6 arrays of devices to test high gain UV-APD array performance at ~355 nm. These variable-area GaN/AlGaN UV-APD detectors and arrays enable advanced sensing performance over UV bands of interest with high resolution detection for NASA Earth Science applications.

Sood, Ashok K.↗
DOE OSTI2022

Tunneling full-wave infrared rectenna

A rectenna is used for full-wave rectification of infrared radiation to produce electricity. In the rectenna, a metallic grating overlies a semiconductor body. A tunnel barrier is interposed between each grating element and the semiconductor body. Each of the grating elements overlies a bridge pair consisting of a region of n+-doped semiconductor and a region of p+-doped semiconductor, both of which are embedded in more lightly doped host semiconductor material. Each of the two regions that compose the bridge pair forms a rectifying tunnel junction through a tunnel barrier to at least one overlying grating element. Each of the two regions also forms a semiconductor junction with the host semiconductor material.

Davids, Paul↗
NASA NTRS1991

Minority carrier lifetime in indium phosphide

Transient photoluminescence is used to measure the minority carrier lifetime on n-type and p-type InP wafers. The measurements show that unprocessed InP wafers have very high minority carrier lifetimes. Lifetimes of 200 ns and 700 ns were observed for lightly-doped p- and n-type material respectively. Lifetimes over 5 ns were found in heavily doped n-type material.

Jenkins, Phillip↗
DOE OSTI2021

Impact of Transition Metal Doping on the Structural and Optical Properties of Halide Perovskites

Metal ion doping into halide perovskite materials is a promising approach to enhance long-term film stability and improve solar cell performance. Moreover, the idea of doping metals into halide perovskites is also driven by applications in heterogeneous catalysis. Here, we investigate the incorporation of the transition metals Pt and Pd into mixed-halide perovskite materials. We find that Pt aggregates in large clusters in iodine- and bromine-rich perovskite film compositions, whereas Pd incorporation depends on the underlying bromine to iodine ratio. Furthermore, by using optical and structural characterization methods, we observe that phase segregation in the perovskite layer is suppressed upon doping of either of these metals into the material. This approach further shows the potential to obtain catalytically active halide perovskite films in which the perovskite can serve as a host matrix.

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

Ferroic phase transitions and magnetoelectric coupling in cobalt doped BaTiO 3

Magnetoelectric (ME) materials exhibit interesting physics with cross coupling between ferroelectric and magnetic order parameters and thus strong potential to be utilized in memory, spintronics and other multifunctional electronic/magnetic devices. Doping of suitable transition metals in ferroelectrics can induce magnetism and ME coupling and modify the physical properties. Here, we report the structural, electronic, magnetic and ME coupling of 3.5, 5 and 7.5 mol% cobalt doped BaTiO 3 (BTO) ceramics. X-ray diffraction and Raman spectroscopy indicate that the samples are single phase having a tetragonal crystal structure with P4mm symmetry. The tetragonality ratio is found to decrease with increasing cobalt content. We observed a Fano-like asymmetric peak in the [A 1 (LO 1 )] Raman mode at ~173 cm -1 in all the cobalt doped BTO samples. The cobalt dopants are shown to be uniformly distributed throughout the surface of the samples. We observed a lowering of the ferroelectric transition temperature and increasing diffusivity parameter with increasing cobalt concentration. The electrical properties of all the samples have been investigated in detail by impedance spectroscopy and ac conductivity studies before and after the ferroelectric phase transitions. All the samples show hysteretic ferroelectric behavior with a clear saturation state that decreases with increasing cobalt content. The observed ferroelectricity in these samples is intrinsic in nature. The 3.5% cobalt doped BTO sample exhibits paramagnetic behavior whereas the 5 and 7.5% cobalt doped BTO samples show ferromagnetic ordering below 43 K. The 7.5% cobalt doped BTO samples show significant ME coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Targeted Chemical Looping Materials Discovery by an Inverse Design

Chemical looping with oxygen uncoupling (CLOU) materials is actively sought for combustion of carbonaceous materials to achieve complete conversion and capture of carbon dioxide. These materials may play a vital role in reducing atmospheric carbon via negative carbon output. However, there is no one‐size‐fits‐all approach as different operating conditions and feedstocks may require different CLOU materials. As a result, the exploration and discovery of high‐performance CLOU materials can be a slow process. To address this challenge, a high‐throughput inverse machine learning workflow that identifies optimum materials from perovskite oxides for a given set of targets is developed—temperature and Gibbs free energy of oxygen formation. The model is trained on high‐throughput density functional theory calculations of CLOU materials and inverts the materials design process using a genetic algorithm to produce realistic substituted SrFeO 3‐δ compositions as output. Using the inverse model, it is able to identify several interesting new families of CLOU materials: Sr 1‐ x A x Fe 1‐ y B y O 3‐δ (e.g., A = Ca or K; B = Mg, Bi, Mn, Ni, Co, Cu, or Zn). These materials have shown promising properties, and some of them even outperform the benchmark material in terms of oxygen release kinetics under relevant CLOU operating conditions.

36 MATERIALS SCIENCE↗