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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
NASA NTRS1992

Glass precursor approach to high-temperature superconductors

The available studies on the synthesis of high T sub c superconductors (HTS) via the glass precursor approach were reviewed. Melts of the Bi-Sr-Ca-Cu-O system as well as those doped with oxides of some other elements (Pb, Al, V, Te, Nb, etc.) could be quenched into glasses which, on further heat treatments under appropriate conditions, crystallized into the superconducting phase(s). The nature of the HTS phase(s) formed depends on the annealing temperature, time, atmosphere, and the cooling rate and also on the glass composition. Long term annealing was needed to obtain a large fraction of the 110 K phase. The high T sub c phase did not crystallize out directly from the glass matrix, but was preceded by the precipitation of other phases. The 110 K HTS was produced at high temperatures by reaction between the phases formed at lower temperatures resulting in multiphase material. The presence of a glass former such as B2O3 was necessary for the Y-Ba-Cu-O melt to form a glass on fast cooling. A discontinuous YBa2Cu3O(7-delta) HTS phase crystallized out on heat treatment of this glass. Attempts to prepare Tl-Ba-Ca-Cu-O system in the glassy state were not successful.

Bansal, Narottam P.↗
NASA NTRS1996

Testing of 100 mK bolometers for space applications

Electrical and optical performance data are presented for a prototype 100 mK spider-web bolometer operating under very low photon backgrounds. These data are compared with the bolometer theory and are used to estimate the expected sensitivity of such a detector used for low background space astronomy. The results demonstrate that the sensitivity and speed of response requirements of the bolometer instruments proposed for these missions can be met by 100 mK spider-web bolometers using neutron transmutation doped germanium as the temperature sensitive element.

Murray, A. G.↗
NASA NTRS1998

Carbon Nanotube Based Molecular Electronics

Carbon nanotubes and the nanotube heterojunctions have recently emerged as excellent candidates for nanoscale molecular electronic device components. Experimental measurements on the conductivity, rectifying behavior and conductivity-chirality correlation have also been made. While quasi-one dimensional simple heterojunctions between nanotubes with different electronic behavior can be generated by introduction of a pair of heptagon-pentagon defects in an otherwise all hexagon graphene sheet. Other complex 3- and 4-point junctions may require other mechanisms. Structural stability as well as local electronic density of states of various nanotube junctions are investigated using a generalized tight-binding molecular dynamics (GDBMD) scheme that incorporates non-orthogonality of the orbitals. The junctions investigated include straight and small angle heterojunctions of various chiralities and diameters; as well as more complex 'T' and 'Y' junctions which do not always obey the usual pentagon-heptagon pair rule. The study of local density of states (LDOS) reveal many interesting features, most prominent among them being the defect-induced states in the gap. The proposed three and four pointjunctions are one of the smallest possible tunnel junctions made entirely of carbon atoms. Furthermore the electronic behavior of the nanotube based device components can be taylored by doping with group III-V elements such as B and N, and BN nanotubes as a wide band gap semiconductor has also been realized in experiments. Structural properties of heteroatomic nanotubes comprising C, B and N will be discussed.

Srivastava, Deepak↗
NASA NTRS1984

Enhanced adhesion by high energy bombardment

Films (12) of gold, copper, silicon nitride, or other materials are firmly bonded to insulator substrates (12) such as silica, a ferrite, or Teflon (polytetrafluorethylene) by irradiating the interface with high energy ions. Apparently, track forming processes in the electronic stopping region cause intermixing in a thin surface layer resulting in improved adhesion without excessive doping. Thick layers can be bonded by depositing or doping the interfacial surfaces with fissionable elements or alpha emitters.

Griffith, Joseph E.↗
NASA NTRS1985

Enhanced adhesion of films to semiconductors or metals by high energy bombardment

Films (12) of a metal such as gold or other non-insulator materials are firmly bonded to other non-insulators such as semiconductor substrates (10), suitably silicon or gallium arsenide by irradiating the interface with high energy ions. The process results in improved adhesion without excessive doping and provides a low resistance contact to the semiconductor. Thick layers can be bonded by depositing or doping the interfacial surfaces with fissionable elements or alpha emitters. The process can be utilized to apply very small, low resistance electrodes (78) to light-emitting solid state laser diodes (60) to form a laser device 70.

Tombrello, Thomas A.↗
DOE OSTI2022

Nitrogen-sulfur-carbon nanocomposites and their application as cathode materials in lithium-sulfur batteries

The invention is directed in a first aspect to electron-conducting porous compositions comprising an organic polymer matrix doped with nitrogen atoms and having elemental sulfur dispersed therein, particularly such compositions having an ordered framework structure. The invention is also directed to composites of such S/N-doped electron-conducting porous aromatic framework (PAF) compositions, or composites of an S/N-doped mesoporous carbon composition, which includes the S/N-doped composition in admixture with a binder, and optionally, conductive carbon. The invention is further directed to cathodes for a lithium-sulfur battery in which such composites are incorporated.

25 ENERGY STORAGE↗
DOE OSTI2022

Synthesis and structure of carbon-doped H 3 S compounds at high pressure

Understanding of recently reported putative close-to-room-temperature superconductivity in C-S-H compounds at 267 GPa demands a reproducible synthesis protocol as well as knowledge of the compounds' structure and composition. Here, we synthesized C-S-H compounds with various carbon compositions at high pressures from elemental carbon C and methane CH 4 , sulfur S, and molecular hydrogen H 2 . Here, we focus on compounds synthesized using methane as these allow a straightforward determination of their structure and composition by combining single-crystal x-ray diffraction and Raman spectroscopy. We applied a two-stage synthesis of [(CH 4 ) x (H 2 S) (1-x) ] 2 H 2 compounds with various compositions by first reacting sulfur and mixed methane-hydrogen fluids and forming CH 4 -doped H 2 S crystals at 0.5-3 GPa and then by growing single crystals of the desired hydrogen-rich compound. Raman spectroscopy applied to this material shows the presence of CH 4 molecules incorporated into the lattice and allows the determination of the CH 4 content, while single-crystal x-ray diffraction results suggest that the methane molecules substitute H 2 S molecules. The structural behavior of these compounds is very similar to the previously investigated methane-free crystals demonstrating a transition from Al 2 Cu type I4/mcm molecular crystal to a modulated molecular structure at 20-30 GPa and back to the same basic I4/mcm structure in an extended modification with greatly modified Raman spectra. This latter phase demonstrates a distortion into a Pnma structure at 132-159 GPa and then transforms into a common Im$\bar{3}$m H 3 S phase at higher pressures; however, no structural anomaly is detected near 220 GPa, where a sharp upturn in T c has been reported.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

An experimental analysis of a doped lithium fluoride direct absorption solar receiver

An experimental analysis of two key elements of a direct absorption solar receiver for use with Brayton solar dynamic systems was conducted. Experimental data are presented on LiF crystals doped with dysprosium, samarium, and cobalt fluorides. In addition, a simulation of the cavity/window environment was performed and a posttest inspection was conducted to evaluate chemical reactivity, transmissivity, and condensation rate.

Kesseli, James↗
DOE OSTI2020

Potential for neutron and proton transmutation doping of GaN and Ga 2 O 3

As the potential applications of GaN and Ga 2 O 3 are limited by the inadequacy of conventional doping techniques, specifically when uniform selective area p-type doping is required, the potential for transmutation doping of these materials is analyzed. All transmuted element concentrations are reported as a function of time for several common proton and neutron radiation sources, showing that previously published results considered a small subset of the dopants produced. A 40 MeV proton accelerator is identified as the most effective transmutation doping source considered, with a 2.25 × 10 17 protons per cm 2 fluence yielding net concentrations of uncompensated p-type dopants of 7.7 × 10 15 and 8.1 × 1015 cm -3 for GaN and Ga 2 O 3 , respectively. Furthermore, it is shown that high energy proton accelerator spectra are capable of producing dopants required for magnetic and neutron detection applications, although not of the concentrations required for current applications using available irradiation methods.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Atomic cooperation in enhancing magnetism: (Fe, Cu)-doped CeCo 5

Developing permanent magnet alloys with decreased critical elements (e.g., Nd, Dy, and Co) requires identifying compositions and structures with uniaxial magneto-crystalline anisotropy energy (MAE), large magnetization, and a high ferromagnetic transition temperature (Curie temperature - T C ). One approach to minimizing the critical elements in potential permanent magnet alloys is to use overly produced Ce, which is less critical. Furthermore, reducing Co content in RCo 5 (R = Rare Earth) alloys is necessary since Co is also a critical element. An obvious choice for decreasing Co content is a substitution with non-critical Fe. However, the Fe is not stable in the lattice due to the reduced number of d -electrons. Concomitant substitution of Cu stabilizes Fe substitution. Employing first-principles electronic structure theory, we identify the weakly localized nature of cobalt in CeCo 5 , which causes high uniaxial magnetic anisotropy of ~10 MJ/m 3 . In contrast, substituted Cu delocalizes the Co’s 3 d -states, resulting in lower anisotropy. Calculations show that 10% Cu can stabilize 20% Fe subsituted for Co, which significantly enhances magnetic moment in the Ce (Co, Fe, Cu) 5 . We report this prediction is in good agreement with a single-crystal experiment in which the optimal composition was identified to be 15% of Fe and 12% Cu. The competitive non-equivalent Co sites preferred by Cu and Fe, a unique electronic structure including exchange and crystal field splitting, and rigid band shift variation are borne by 3 d states of Co, Fe, and Cu around the Fermi level, all play an essential role in tuning the magnetic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Dopant site-dependent luminescence from rare-earth doped dibarium octafluorohafnate Ba 2 HfF 8 nanocubes for radiation detection

Development of new host materials containing heavy elements for radiation detection is highly desirable. In this work, dibarium octafluorohafnate, Ba 2 HfF 8 , doped with rare-earth ions, was synthesized as cube-shaped nanocrystals via a facile hydrothermal method. The host lattice contains two Ba 2+ crystallographic sites, and dopants on these sites exhibit site-dependent photoluminescence (PL), cathodoluminescence (CL) and X-ray excited radioluminescence (RL) characteristics. Single doping contents were optimized as 25 mol% Tb 3+ and 5 mol% Eu 3+ . In Ba 2 HfF 8 :Tb 3+ –Eu 3+ codoped nanocrystals, preferrable occupation of Eu 3+ and Tb 3+ at two different Ba 2+ sites in the host lattice was observed. The nanocubes exhibited enhanced emissions over micron sized particles. In PL, the presence of Tb3+ ions significantly enhanced the emission intensity of Eu 3+ ions due to energy transfer from the Tb 3+ to Eu 3+ ions, while under high-energy irradiation in CL or RL, Tb 3+ emission was intensified. X-ray induced RL with afterglow in seconds was observed. Finally, it was found that the codoped sample showed higher sensitivity than the singly doped sample, indicating that codoping is an effective strategy to develop a scintillator with this host structure for high-energy radiation detection.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Impact of fission product inclusion on phase development in U 3 Si 2 fuel

Due to its high thermal conductivity and uranium density, U 3 S i2 has been considered as a candidate for use as an accident tolerant fuel (ATF). In order to fully assess its suitability and performance as a fuel, the impact of fission products (FPs) on the stability and performance of U 3 Si 2 must be investigated. The interactions of FPs and U 3 Si 2 have had relatively little study until now and require experimental and computational examination. U 3 Si 2 was doped with individual FPs to explore U-Si-FP interactions and phase equilibria that may impact the performance of the ATF during irradiation. Elemental Ce, Mo, Y, or Zr were used to individually dope U 3 Si 2 at a concentration of 5 wt% FP. A diffusion couple of a 1:1 Mo:Zr alloy and U 3 Si 2 was heated to 1200 °C in order to consider the impacts of multiple FPs on the stability and structure of the fuel. Samples were characterized for FP solubility and secondary phase formation using electron microscopy, energy dispersive spectroscopy, and x-ray diffraction. First principles density functional theory calculations complemented the experimental effort to understand FP behavior. Experimental and computational findings were used in the development of a thermodynamic database containing 8 major FPs and their associated silicide phases. Finally, fuel compositions generated from depletion calculations were used to thermodynamically model the equilibrium phases of the fuel undergoing burnup.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

N-Doping improves charge transport and morphology in the organic non-fullerene acceptor O-IDTBR

Molecular doping has been shown to improve the performance of various organic (opto)electronic devices. When compared to p-doped systems, research into n-doped organic small-molecules is relatively limited, primarily due to the lack of suitable dopants and the often encountered unfavourable microstructural effects. These factors have prevented the use of n-doping in a wider range of existing materials, such as non-fullerene acceptors (NFAs), that have already shown great promise for a range of (opto)electronic applications. Here, we show that several different molecular n-dopants, namely [1,2-b:2',1'-d]benzo[i][2.5]benzodiazocine potassium triflate adduct (DMBI-BDZC), tetra-n-butylammonium fluoride (TBAF) and 4-(2,3-dihydro-1,3-dimethyl-1H-benzimidazol-2-yl)-N,N-dimethylbenzenamine (N-DMBI), can be used to n-dope the molecular semiconductor O-IDTBR, a promising NFA, and increase the electron field-effect mobility to >1 cm 2 V -1 s -1 . By combining complementary experimental techniques with computer simulations of doping and charge carrier dynamics, we show that improved charge transport arises from synergistic effects of n-type doping and morphological changes. Specifically, a new, previously unreported dopant-induced packing orientation results in one of the highest electron mobility values reported to-date for an NFA molecule. Overall, this work highlights the importance of dopant–semiconductor interactions and their impact on morphology, showing that dopant-induced molecular packing motifs may be generic and a key element of the charge transport enhancement observed in doped organics.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Extrinsic n-type doping of Cd 3 As 2 thin films

Cd 3 As 2 provides an excellent platform for studying the physics of three-dimensional Dirac semimetals due to its stability as well as its compatibility with thin film growth. Crystals made using both bulk and thin film synthesis are unintentionally doped n-type, and other than introducing Zn to reduce the carrier concentration, no efforts have been reported to alter this intrinsic doping without major changes to the band structure. Here, group VI elements Te and Se are introduced during epitaxy to increase the electron concentration of the films. Starting from an unintentionally doped electron concentration of 1–2 × 10 17 cm -3 , concentrations of up to 3 × 10 18 cm -3 are achieved. Analysis of Shubnikov–de Haas oscillations reveals good agreement in calculated effective mass and Fermi velocity of highly doped films with unintentionally doped single crystals with similar electron concentrations. The density functional theory is also performed to study the effects of group VI substitutions and confirms no strong perturbations in the electronic structure. This work ultimately demonstrates tunability in the carrier concentration using extrinsic dopants without substantial changes in the band structure, allowing for intentional design of Fermi-level position for device applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Solvent-free synthesis of Co single atom and nanocluster decorated N-doped carbon for efficient oxygen reduction

The advancement of efficient, cheap, and durable catalysts for oxygen reduction reaction (ORR) to substitute Pt/C in metal-air batteries is of paramount importance. However, traditional solvent-based methods fall short in terms of environmental benign and scalability. Herein, a solvent-free organic-inorganic self-assembly approach is explored to construct cobalt single atom and cobalt nanocluster decorated nitrogen-doped porous carbon spheres (Co-SA/NC@NCS). The solvent-free synthesis demonstrates an impressively high yield (282 g/L) and the resultant Co-SA/NC@NCS possesses a high N content (6.9 wt%). Density functional theory calculations disclose that the Co-SAs and Co-NCs are able to optimize the surface oxygen adsorption capability and enhance the conductivity of the NCS, thereby facilitating the ORR performance. Here, the solvent-free synthesis is also feasible for the synthesis of other non-noble metal element (Fe, Ni, and Zn) decorated nitrogen-doped porous carbon spheres.

Nitrogen-doped carbon↗
DOE OSTI2021

Hole Trapping at Acceptor Impurities and Alloying Elements in AlN

Hole localization is a root cause of difficulties in p-type doping of aluminum nitride. Herein, the stability of localized holes in AlN and their susceptibility to self-trapping within bulk material or in the presence of isovalent elements and acceptor impurities are calculated. It is found that self-trapped holes are metastable in bulk AlN, and also exhibit a very low barrier to detrapping. However, holes become trapped in the presence of acceptor impurities as well as isovalent elements such as B, In, and Sc, and may contribute to the broad luminescence observed in AlN alloys. It is also found that hole trapping contributes to the large ionization energies for acceptors in AlN. Most acceptors can also trap a second hole, becoming positively charged and further exacerbating difficulties in doping aluminum nitride p type. Furthermore, the stability of trapped holes is found to scale with atomic size mismatch to Al.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗