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At least 325 records · Page 18
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Computational Fermi Level Engineering and Doping-Type Conversion of Mg:Ga 2 O 3 via Three-Step Synthesis Process

Gallium oxide (Ga 2 O 3 ) is being actively explored for electronics that can operate at high power, temperature, and frequency as well as for deep-ultraviolet optoelectronics and other applications due to its ultra-wide bandgap (UWBG) and low projected fabrication cost of large-size and high-quality crystals. Efficient n-type doping of monoclinic beta-phase of Ga 2 O 3 has been achieved, but p-type doping faces fundamental obstacles due to compensation, deep acceptor levels, and the polaron transport mechanism of free holes. However, aside from the challenges of achieving p-type conductivity, plenty of opportunity exists to engineer the position of the Fermi level for improved design of Ga 2 O 3 -based devices. We use first-principles defect theory and defect equilibrium calculations to simulate a three-step growth-annealing-quench synthesis protocol for hydrogen-assisted Mg doping in ß-Ga 2 O 3 . The simulations take into account the gas phase equilibrium between H 2 , O 2 , and H 2 O, which determines the H chemical potential. We predict Ga 2 O 3 doping-type conversion to a net p-type regime after growth under reducing conditions in the presence of H2 followed by O-rich annealing, which is a similar process to Mg acceptor activation by H removal in GaN. For equilibrium annealing with re-equilibration of compensating O vacancies, there is an optimal temperature that maximizes the Ga 2 O 3 net acceptor density for a given Mg doping level; the acceptor density is further increased in the non-equilibrium annealing scenario without re-equilibration. After quenching to operating temperature, the Ga 2 O 3 Fermi level drops below mid-gap down to about 1.5 eV above the valence band maximum, creating a significant number of uncompensated neutral Mg Ga 0 acceptors. The resulting free hole concentration in Ga 2 O 3 is very low even at elevated operating temperature (~10 8 cm -3 at 400°C) due to the deep energy level of these Mg acceptors, and hole conductivity is further impeded by the polaron hopping mechanism. However, the Fermi-level reduction and suppression of free electron density in this doping-type converted (NA>ND) Ga 2 O 3 material are important for improved designs of Ga 2 O 3 electronic devices. These results illustrate the power of computational predictions not only for new materials but also for their synthesis science.

36 MATERIALS SCIENCE↗
NASA NTRS2024

Advanced Low Gravity Characterization and Liquid-phase Synthesis of Non-equilibrium and Glassy Oxides

Materials processing in space and the investigation, development and commercialization of non-equilibrium materials and glasses are key aspects of NASA’s BPS mission. The MATRICES project recommended by the Decadal Survey panels calls out key aspects that support development of new materials in space. These areas directly serve NASA space exploration mission and lay the basis to commercialize high value or enabling materials that can be produced in low gravity.

Chris Benmore↗
NASA NTRS1992

Water reclamation technology development for future long range missions

This paper covers the development of computer simulation models of the Vapor Compression Distillation (VCD) process, the Super Critical Water Oxidation (SCWO) process, and two versions of a Vapor Phase Catalytic Ammonia Reduction (VPCAR) process. These process level models have combined into two Integrated Water Reclamation Systems (IWRS). Results from these integrated models, in conjunction with other data sources, have been used to develop a preliminary comparison of the two systems. Also discussed in this paper is the development of a Vapor Phase Catalytic Ammonia Reduction teststand and the development of a new urine analog for use with the teststand and computer models.

Flynn, Michael T.↗
DOE OSTI2021

Process for converting alkanes to olefins

A process and apparatus for converting an alkane to an olefin. In one embodiment, the process involves oxidative coupling of an alkane, e.g., methane, with an oxidant, such as air, to produce an olefin having twice the number of carbon atoms as the alkane, e.g., ethylene. In another embodiment, the process involves oxidative dehydrogenation of an alkane, e.g., ethane, with an oxidant to form an olefin having the same number of carbon atoms as the alkane, e.g., ethylene. The process involves passing a flow of the oxidant from a first flow passage through a porous medium; diffusing a flow of the alkane from a second flow passage into the porous medium; and contacting the reactant alkane and the oxidant in the presence of a catalyst within the porous medium to produce the olefin.

Weissman, Jeffrey G.↗
DOE OSTI2022

Process for converting alkanes to olefins

A process and apparatus for converting an alkane to an olefin. In one embodiment, the process involves oxidative coupling of an alkane, e.g., methane, with an oxidant, such as air, to produce an olefin having twice the number of carbon atoms as the alkane, e.g., ethylene. In another embodiment, the process involves oxidative dehydrogenation of an alkane, e.g., ethane, with an oxidant to form an olefin having the same number of carbon atoms as the alkane, e.g., ethylene. The process involves passing a flow of the oxidant from a first flow passage through a porous medium; diffusing a flow of the alkane from a second flow passage into the porous medium; and contacting the reactant alkane and the oxidant in the presence of a catalyst within the porous medium to produce the olefin.

Weissman, Jeffrey↗
NASA NTRS2000

Process to produce silicon carbide fibers using a controlled concentration of boron oxide vapor

A process for producing polycrystalline silicon carbide includes heating an amorphous ceramic fiber that contains silicon and carbon in an environment containing boron oxide vapor. The boron oxide vapor is produced in situ by the reaction of a boron containing material such as boron carbide and an oxidizing agent such as carbon dioxide, and the amount of boron oxide vapor can be controlled by varying the amount and rate of addition of the oxidizing agent.

Barnard, Thomas Duncan↗
NASA NTRS2001

Process to produce silicon carbide fibers using a controlled concentration of boron oxide vapor

A process for producing polycrystalline silicon carbide by heating an amorphous ceramic fiber that contains silicon and carbon in an environment containing boron oxide vapor. The boron oxide vapor is produced in situ by the reaction of a boron containing material such as boron carbide and an oxidizing agent such as carbon dioxide, and the amount of boron oxide vapor can be controlled by varying the amount and rate of addition of the oxidizing agent.

Barnard, Thomas Duncan↗
DOE OSTI2025

Open‐Air Combustion Synthesis with Rapid Plasma Processing of Large‐Area Transparent Conducting Oxides

A vacuum-free, high-throughput synthesis of indium tin oxide (ITO) via Combustion Oxidation with Rapid Plasma Processing (CORP) utilizes a solution-based exothermic combustion reaction to generate the oxide with tunable control of either amorphous or crystalline phases. A subsequent open-air, forming gas plasma treatment is used to introduce oxygen vacancies and promote crystallization. Here, the evolution of the oxide structure is elucidated by extended X-ray absorption spectroscopy fine structure analysis. Using CORP, fabrication of 300 cm 2 of ITO possessing a champion sheet resistance of 38 Ω sq. −1 , visible transmission of 89%, conductivity stability for over 250 days, roughness < 2nm, and Haacke figure of merit (%T 550nm 10 /R s ) of 0.012 Ω −1 is achieved. Cost modeling of CORP demonstrates up to a 67% reduction in price for TCOs using fully continuous, in-line unit operations compared with vacuum sputtering. The work shows a path toward a low-cost, vacuum-free manufacturing method for TCOs at commercial scales.

42 ENGINEERING↗
NASA NTRS2000

Catalyst for Oxidation of Volatile Organic Compounds

Disclosed is a process for oxidizing volatile organic compounds to carbon dioxide and water with the minimal addition of energy. A mixture of the volatile organic compound and an oxidizing agent (e.g. ambient air containing the volatile organic compound) is exposed to a catalyst which includes a noble metal dispersed on a metal oxide which possesses more than one oxidation state. Especially good results are obtained when the noble metal is platinum, and the metal oxide which possesses more than one oxidation state is tin oxide. A promoter (i.e., a small amount of an oxide of a transition series metal) may be used in association with the tin oxide to provide very beneficial results.

Wood, George M.↗
NASA NTRS1985

Oxidation Behavior of Glassy Alloys

The oxidation behavior of high temperature glassy alloys produced by rapid solidification processing is investigated and the effects of processing and composition on oxidation behavior is studied. Glassy Ta-44.5at%Ir, Ta-40at%Ir-10at%B and Nb-45at%Ir oxidized rapidly at 700 to 800 C at an oxygen partial pressure of .001 atm. The alloys were embrittled during the oxidation process. No apparent oxidation or embrittlement of the Ta-Ir alloy occurred after oxidation for 4h at 500 C at an oxygen partial pressure of .001 atm. Embrittlement occurred, however, after 100h of exposure under the latter conditions. Alloy embrittlement is associated with the partial or full conversion of the metallic glass to a mixture of crystalline beta-Ta2O5 and metallic iridium. Hot compaction of glassy alloys of this type must be limited to relatively low temperatures (approx. 500 C) and short times at the low temperatures unless extremely low oxygen partial pressures can be achieved during the compaction process.

Yurek, G.↗
NASA NTRS2001

Polyimides and Process for Preparing Polyimides Having Thermal-Oxidative Stability

Polyimides and the process for preparing polyimides having improved thermal-oxidative stability derived from the polymerization of effective amounts of one or more of the polyamines such as the aromatic diamines, one or more of the tetracarboxylic dianhydrides and a novel dicarboxylic endcap having formula with an R1 group of either hydrogen or an alkyl radical of one to four carbons, an R2 group of either OH, NH2, F, or Cl radical, an R3 group of either H, OH, NH2, F, Cl or an alkylene radical, an R4 group of either an alkyl, aryl, aryloxy, nitro, F, or Cl radical, and/or an R5 group of either H, alkyl, aryl, alkoxy, aryloxy, nitro, F, or Cl radical. The polyimides are useful particularly in the preparation of prepegs and PMR composites.

Meador, Mary Ann B.↗
DOE OSTI2025

Mn(II)-induced phase transformation of Mn(IV) oxide in seawater

Manganese (Mn) oxides are key components of oceanic and lacustrine Mn nodules and influence metal cycling through oxidation and adsorption processes. Layered Mn oxides (LMOs) are the most common minerals in these nodules and the immediate products of microbially mediated Mn(II) oxidation by O 2 . LMOs can transform into tunneled Mn oxides (TMOs), Mn oxyhydroxides (MnOOH), or Mn(II,III) phase (Mn 3 O 4 ). LMOs often concur with Mn(II) in the environment and the adsorption and oxidation of Mn(II) by LMOs can greatly promote the transformation of LMOs to those phases. However, the Mn(II)-promoted transformation of LMOs in seawater—rich in various cations (300 mM Na + , 10 mM K + , 50 mM Ca 2+ , and 10 mM Mg 2+ ) remains poorly understood. We examined the transformation of δ-MnO 2 in artificial seawater (pH 8.2) under anoxic conditions with the Mn(II)/MnO 2 ratio (r) ranging from 0.08 to 3.83. To assess the effect of ionic strength (IS), parallel experiments were conducted in a mixed 530 mM NaCl and 10 mM KCl solution (having seawater ionic strength but without Ca 2+ and Mg 2+ ) and in 100 mM NaCl solution as a control. At low r (0.08), δ-MnO 2 transformed into triclinic birnessite and a 4 × 4 TMO in 100 mM NaCl solution, which, however, was suppressed in seawater due to strong interactions of Ca 2+ /Mg 2+ with δ-MnO 2 . In the mixed 530 mM NaCl and 10 mM KCl solution (the same ionic strength as of seawater), the transformation occurred extensively but the products had lower crystallinity compared to in 100 mM NaCl solution. At the high Mn(II)/MnO 2 ratios (0.5 ≤ r ≤ 3.83), δ-MnO 2 transformed extensively into MnOOH phases and hausmannite (Mn 3 O 4 ) in 100 mM NaCl solution. The seawater suppressed the transformation, but the suppression became weaker with increasing Mn(II)/MnO 2 ratio. For example, the transformation was completely suppressed at r = 0.5 but essentially negligible at r = 3.83. The suppression at these high Mn(II)/MnO 2 ratios was mainly ascribed to the influence of Ca 2+ and Mg 2+ rather than of the high IS, and the weaker suppression at the higher Mn(II)/MnO 2 ratio suggests stronger competition of Mn(II) with Ca 2+ /Mg 2+ for interacting with δ-MnO 2 . Moreover, the composition and crystallinity of the transformation products (i.e., the relative abundance of MnOOH (α, β, and γ) and Mn 3 O 4 ) were influenced by both the high ionic strength and the presence of Ca 2+ and Mg 2+ . Therefore, even though Ca 2+ and Mg 2+ concentrations are much lower than Na + in seawater, their impacts on the transformation are dominant. Our study explains why MnOOH phases, hausmannite, and TMOs are less common than LMOs in oceanic environments, partially because seawater chemistry suppresses their formation. LMOs are the most reactive for metal adsorption and oxidation among all Mn oxides. Thus, the high stability of LMOs in an oceanic environment confers the high impacts of Mn oxides on metal cycling in the ocean.

Divalent manganese↗
DOE OSTI2026

High hardness and oxidation-resistant Cr-containing medium entropy ZrTaW diboride

This study reports the successful synthesis of a Cr-containing (Zr 0.30 Ta 0.34 Cr 0.06 W 0.30 )B 2 medium-entropy boride (MEB) via an in-situ reactive borothermal reduction route from oxide precursors. High-energy ball milling was employed to homogenize the precursor mixture prior to reactive densification. X-ray diffraction confirmed the formation of a predominantly AlB₂-type hexagonal diboride structure together with a secondary (W X , M 1-X )B monoboride phase. Microstructural characterization revealed compositional heterogeneity and localized W-rich regions associated with the secondary phase. The synthesized medium-entropy boride exhibited enhanced mechanical properties, which are attributed to lattice distortion and solid-solution strengthening effects. Thermogravimetric analysis revealed complex multistage oxidation behavior, and the oxidation resistance was compared with conventional ultra-high-temperature diborides. The results demonstrate the strong relationship between oxide-derived processing, compositional complexity, phase evolution, and oxidation behavior, highlighting the potential of medium-entropy borides for high-temperature structural applications

36 MATERIALS SCIENCE↗
DOE OSTI2021

Electroanalytical Measurements of Oxide Ions in Molten CaCl 2 on W electrode

The electrochemical interaction of oxide ions with tungsten electrodes in molten calcium chloride (CaCl 2 ) was analyzed by combining electroanalytical techniques with X-ray photoelectron spectroscopy. During a cyclic voltammetry (CV) scan, the oxide ions appear to interact with the tungsten working electrode via a multi-step oxidation and reduction process. The overall redox peaks behave reversibly up to 750 mV s -1 . This electrochemical process enables the oxide ion concentration to be correlated to CV oxidation peaks. Lastly, the resulting correlation agrees well (8.8% difference) with back titration measurements and can be used to monitor oxide content in the salt in real-time during CaCl 2 based pryoprocesses.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Monolithic gas trap adsorber for high efficiency, cost effective, low-emission condensing furnace

An improved method and system for treating flue gases from a natural gas furnace are provided. The method and system include an acidic gas trap (AGT) adsorber which enables the continuous adsorption and storage of SOx, NOx redox, and formic acid/CO/HC/CH 4 oxidation, with a negligible pressure drop. The AGT adsorber includes a catalyst coating having a nanotube structure (e.g., a uniform nanostructure forest coating) or a uniform porous nanostructure of various low-cost oxides through scalable low temperature solution processes, including oxides of Ti, Cu, Ba, Mn, Zr, Zn, Sr, Ca, Li, K, Na, Al, or Ce.

Gao, Zhiming↗
NASA NTRS2000

Process and Equipment for Nitrogen Oxide Waste Conversion to Fertilizer

The present invention describes a process for converting vapor streams from sources containing at least one nitrogen-containing oxidizing agent therein to a liquid fertilizer composition comprising the steps of: (1) directing a vapor stream containing at least nitrogen-containing oxidizing agent to a first contact zone; (2) contacting said vapor stream with water to form nitrogen oxide(s) from said at least one nitrogen- containing oxidizing agent; (3) directing said acid(s) as a second stream to a second contact zone; (4) exposing said second stream to hydrogen peroxide which is present within said second contact zone in a relative amount of at least 0.1% by weight of said second stream within said second contact zone to convert at least some of any nitrogen oxide species or ions other than in the nitrite form present within said second stream to nitrate ion; (5) sampling said stream within said second contact zone to determine the relative amount of hydrogen peroxide within said second contact zone; (6) adding hydrogen peroxide to said second contact zone when a level on hydrogen peroxide less than 0.1% by weight in said second stream is determined by said sampling; (7) adding a solution comprising potassium hydroxide to said second stream to maintain a pH between 6.0 and 11.0 within said second stream within said second contact zone to form a solution of potassium nitrate; and (8) removing sais solution of potassium nitrate from said second contact zone.

Lueck, Dale E.↗