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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 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Charged Defects in UO 2 Bulk and Surface: A First-Principles Study

Uranium dioxide (UO 2 ) is the primary fuel used in nuclear reactors. Under the extreme heat and radiation inside a reactor, this material inevitably develops defects in its crystal structure. To investigate the nature and behavior of these defects, DFT+U calculations were employed to investigate charged point defects in both bulk UO 2 and its most stable surface, the (111) plane. The formation of defects and their impact on the electronic structure were systematically examined. The results reveal that these defects introduce localized electronic states, alter magnetic behavior, and modify the structural properties. In general, such defects act as deep traps capable of capturing and retaining charge carriers. The stability of these defects depends strongly on the chemical environment and the position of the Fermi level. Surface defect calculations reveal that oxygen vacancies form more readily at the surface than in the bulk over a wide range of electron chemical potential, with subsurface oxygen vacancies being more stable than those in the top layer. Overall, the findings demonstrate how charged defects influence magnetism, transport, and stability in UO 2 , providing insights that may guide improvements in the safety and efficiency of nuclear fuel.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Modeling of surface-state induced inter-electrode isolation of n -on- p devices in mixed-field and γ -irradiation environments

Position sensitive n-on-p silicon sensors will be utilized in the tracker and in the High Granularity Calorimeter (HGCAL) of the Compact Muon Solenoid (CMS) experiment at High Luminosity Large Hadron Collider (HL-LHC). The detrimental effect of the radiation-induced accumulation of positive net oxide charge on position resolution in n-on-p sensors has typically been countered by the application of isolation implants like p-stop or p-spray between n + -electrodes. In addition to the positively charged layer inside the oxide and close to the Si/SiO 2 -interface, surface damage introduced by ionizing radiation in SiO 2 -passivated silicon particle detectors includes the accumulation of trapped-oxide-charge and interface traps. A previous study of either n/γ (mixed field)- or γ-irradiated Metal-Oxide-Semiconductor (MOS) capacitors showed evidence of substantially higher introduction rates of acceptor- and donor-type deep interface traps (N it,acc/don ) in mixed-field environment. Here, in this work, an inter-pad and -strip resistance (or resistivity (ρ int )) simulation study of n-on-p sensors with and without p-stop isolation implants was conducted for both irradiation types. Higher levels of ρint showed correlation to higher densities of deep N it,acc/don , with the inter-pad isolation performance of the mixed-field irradiated sensors becoming independent of the presence of p-stop implant between the n + - electrodes up to about 100 kGy. The low introduction rates of deep N it,acc/don in γ-irradiated sensors resulted in high sensitivity of ρ int to the presence and peak doping of p-stop above the lowest dose of about 7 kGy in the study. As a consequence of the advantageous influence of radiation-induced accumulation of deep N it on the inter-electrode isolation, position sensitive n-on-p sensors without isolation implants may be considered for future HEP-experiments where the radiation is largely due to hadrons.

Akchurin, N. [Texas Tech Univ., Lubbock, TX (Unite↗
NASA NTRS1979

Deep-level transient spectroscopy studies of Ni- and Zn-diffused vapor-phase-epitaxy n-GaAs

The paper presents deep-level transient spectroscopy studies of Ni- and Zn-diffused vapor-phase epitaxy n-GaAs. Nickel diffused into VPE n-GaAs reduces the hole diffusion length L sub p from 4.3 to 1.1 microns. Deep-level transient spectroscopy was used to identify energy levels in Ni-diffused GaAs; the as-grown VPE GaAs contains traces of these levels and an electron trap. Ni diffusion reduces the concentration of this level by an amount that matches the increase in concentration of each of the two Ni-related levels. A technique for measuring minority-carrier capture cross sections was developed, which indicates that L sub p in Ni-diffused VPE n-GaAs is controlled by the E sub c - 0.39 eV defect level.

Partin, D. L.↗
NASA NTRS1980

The effects of titanium impurities in N/+//P silicon solar cells

Microscopic and electrical measurements were performed to explain the degradation mechanisms associated with the presence of titanium impurities in silicon. The measurements included X-ray topography, transmission electron microscopy, and deep level transient spectroscopy, before and after processing. The results indicated the presence of TiO2 precipitates, the density of which increased after phosphorus diffusion. A majority carrier trapping level was observed in the wafers before processing. It was concluded that 10% of the Ti in the N(+)/P silicon solar cells formed electrically active centers which caused degradation of the cell junction. 14% of the remaining Ti precipitated out as TiO2, forming electrically active defects, which also caused junction degradation.

Salama, A. M.↗
NASA NTRS1984

Influence of oxygen on defect production in electron-irradiated, boron-doped silicon

Deep level transient spectroscopy (DLTS) measurements were made on float-zone and crucible-grown, boron-doped silicon irradiated with 1-MeV electrons. The minority carrier trap attributed to a boron-related state, was not seen in low-resistivity, float-zone silicon. However, a new majority carrier trap was observed in these samples. In the case of more lightly doped material the minority carrier trap was present, and its introduction rate was lower in float-zone than in crucible-grown silicon. For 1- and 10-ohm-cm float-zone material that was oxidized during processing, the introduction rates for this trap were comparable to those for crucible-grown silicon. This behavior indicates that the minority carrier trap involves oxygen and that it may be due to a boron-oxygen complex. The majority carrier trap seen in heavily doped, float-zone silicon may also involve boron but not oxygen. Observed trap concentrations suggest that oxygen content in the regions examined by DLTS is affected by processing techniques. Other differences were observed in defect production and annealing behavior of electron-irradiated, float-zone and crucible-grown silicon.

Deangelis, H. M.↗
NASA NTRS1987

Gigarad-tolerant power switches and memory elements

A new class of silicon devices operating without p-n junctions has been studied for radiation hardness. The electric field in these devices is uniform over most of the device, thus causing high-voltage breakdown to increase with electrode spacing. Deep acceptor levels are created in the silicon by diffusing gold atoms into the lattice, or by electron radiation. These acceptor levels, near the center of the band gap, trap out electrons so that the low resistivity of the n-type doped wafer can be raised to intrinsic resistivity. Switching between a high-resistivity state at low currents and a low-resistivity state at high currents occurs at a definite threshold voltage, exhibiting characteristics similar to silicon-controlled rectifiers. Compensating 0.1 ohm-meter (10 ohm-cm) silicon wafers requires electron fluxes of 10 to the 23rd electrons per square meter (10 to the 19th electrons per square centimeter). Experiments demonstrating gamma tolerance to 1 Gigarad(Si) are described. Calculations for maximum tolerable neutron fluence are shown, and a phenomenological explanation for these results is presented.

Joyner, W. T.↗
NASA NTRS1986

Behavior of inversion layers in 3C silicon carbide

A study on the field-induced surface-charge region in 3C silicon carbide (SiC) using 1 MHz capacitance-voltage (C-V) measurements at room temperature is here reported. A double column mercury probe was used on oxidized SiC substrates to form metal-oxide-semiconductor (MOS) structures. These structures were characterized in terms of the substrate doping profile, effective fixed oxide charge, and interface trap density. A distinctive feature of the MOS C-V curves from accumulation to inversion is that after going into deep depletion the capacitance rises to its equilibrium inversion level during the voltage sweep. Capacitance transient measurements indicate that the minority-carrier generation occurs at the SiO2/SiC interface.

Avila, R. E.↗
NASA NTRS1987

Neutron radiation tolerance of Au-activated silicon

Double injection devices prepared by the introduction of deep traps, using the Au activation method have been found to tolerate gamma irradiation into the Gigarad (Si) region without significant degradation of operating characteristics. Silicon double injection devices, using deep levels creacted by Au diffusion, can tolerate fast neutron irradiation up to 10 to the 15th n/sq cm. Significant parameter degradation occurs at 10 to the 16th n/sq cm. However, since the actual doping of the basic material begins to change as a result of the transmutation of silicon into phosphorus for neutron fluences greater than 10 to the 17th/sq cm, the radiation tolerance of these devices is approaching the limit possible for any device based on initially doped silicon.

Joyner, W. T.↗
NASA NTRS2023

Testing the Gravitational Redshift With an Inner Solar System Probe: the Veritas Case

The NASA Discovery-class mission VERITAS, selected in June 2021, will be launched towards Venus after 2027. In addition to the science instrumentation that will build global foundational geophysical datasets, VERITAS proposed to conduct a technology demonstration for the Deep Space Atomic Clock (DSAC-2). A first DSAC successfully operated in low-Earth orbit for more than two years, demonstrated the trapped ion atomic clock technology, and established a new level of performance for clocks in space. DSAC-2 would have further improvements in size, power, and performance. It would host a 1× 10 -13 grade USO to produce a frequency output with short-term stability of less than 2× 10 -13 /√ τ (where τ is the averaging time).However, due to funding shortfalls, DSAC-2, had to be canceled. The initially foreseen presence of an atomic clock on board the probe, however, raised the question whether this kind of instrumentation could be useful not only for navigation and time transfer but also for fundamental physics tests. In this work, we consider the DSAC-2 atomic clock and VERITAS mission as a specific example to measure possible discrepancies in the redshift predicted by General Relativity by using an atomic clock onboard an interplanetary spacecraft. In particular we investigate the possibility of measuring possible violations of the Local Lorentz Invariance and Local Position Invariance principles. We perform accurate simulations of the experiment during the VERITAS cruise phase. We consider different parametrizations of the possible violations of the General Relativity, different operational conditions, and several different assumptions on the expected measurement performance. We show that DSAC-2 onboard VERITAS would provide new and improved constraints with respect to the current knowledge. Our analysis shows the scientific value of atomic clocks like DSAC-2 hosted onboard interplanetary spacecraft.

Fabrizio De Marchi↗
NASA NTRS1972

Electron trapping in neutron-irradiated silicon studied by space-charge-limited current.

The trapping and detrapping of electrons is studied through measurements of space-charge-limited current in the temperature range of 77 to 293 K in high-purity silicon after irradiation with 14-MeV neutrons. A model is developed which describes most of the results quantitatively and self-consistently, including dc characteristics. Two distinct trap levels exist: the fast levels lie at 0.14 (plus or minus 0.005) eV below the conduction band, and the slow levels lie at 0.47 (plus or minus 0.01) eV below the conduction band. At 77 K, injected free electrons are initially captured by the fast 0.14-eV traps and then sink into the deep 0.47-eV traps, predominantly without being reemitted into the band. Above approximately 110 K, the detrapping rate from the shallow traps becomes so fast that the deep traps dominate. The results also offer a direct verification of the simple model of space-charge-limited current dominated by shallow and deep traps.

Quat, V. T.↗
NASA NTRS1978

Study of electronic properties in proton- and electron-irradiated GaAlAs and GaAs solar cell materials

Diagnostical measurement techniques such as dark I-V, C-V, the thermally insulated capacitance, and the deep level transient spectroscopy methods were employed to study defect properties in the proton-irradiated n-GaAs materials. Defect energy levels, thermal emission rates, and capture cross sections of electrons as well as trap densities were deduced from these measurements and the results are presented. Correlations between the measured defect parameters and the dark I-V characteristics of the n-GaAs Schottky barrier diodes are also discussed. Defect energy levels (i.e., electron traps) determined are also compared with published data in order to identify their physical origins.

Li, S. S.↗
NASA NTRS1993

Activation energy and capture cross section of majority carrier traps in Zn doped InP

Schottky barrier diodes were fabricated on Zn doped InP Wafers. The diodes were radiation damaged with 2 MeV protons to a dose of 2 x 10(exp 12)cm(sup -2). The damage was analyzed by DLTS (deep level transient spectroscopy) using the double correlation technique. Capture cross sections were measured directly. Two major defects were observed in the DLTS spectra. The first defect, was H4 at Ev + 0.29 eV, with capture cross section 1.1 x 10(exp -17)cm(sup 2). The second defect, was H5 at Ev + 0.53 eV. Its capture cross section varied with temperature as described by the relationship sigma = sigma(sub 0) exp(delta(E)/kT) where sigma(sub 0) = 1.3 x 10(exp -19)cm(sup 2) and delta(E) = .08 eV. This relationship yields a sigma of 5.9 x 10(exp -21)cm(sup 2) at room temperature. The surprisingly small capture cross section of H5 and its temperature dependence are discussed in terms of the multiphonon emission process for carrier capture at the defect. The advantages of the improved experimental techniques used are also discussed.

Rybicki, George↗
NASA NTRS1992

Defect behavior, carrier removal and predicted in-space injection annealing of InP solar cells

Defect behavior, observed by deep level transient spectroscopy (DLTS), is used to predict carrier removal and the effects of simultaneous electron irradiation and injection annealing of the performance of InP solar cells. For carrier removal, the number of holes trapped per defect is obtained from measurements of both carrier concentrations and defect concentrations during an isochronal anneal. In addition, from kinetic considerations, the behavior of the dominant defect during injection annealing is used to estimate the degradation expected from exposure to the ambient electron environment in geostationary orbit.

Weinberg, I.↗
NASA NTRS1987

Observation of deep levels in cubic silicon carbide

A deep level transient spectroscopy (DLTS) study on n-type epitaxial cubic silicon carbide grown on Si substrates has been performed. The results of this study indicate the presence of at least two majority-carrier traps. One trap is located 0.34 eV from the conduction-band edge; and the other trap is located 0.68 eV from the conduction-band edge. These two traps have concentrations of approximately 1 x 10 the 15th/cu cm. The DLTS spectrum has been investigated as a function of the surface treatment of the SiC. The results of this investigation indicate that one of the levels (SCE2) appears to be formed as a result of high temperature thermal oxidation.

Zhou, Peizhen↗
NASA NTRS1982

Defects and annealing studies in 1-Me electron irradiated (AlGa)As-GaAs solar cells

The deep-level defects and recombination mechanisms in the one-MeV electron irradiated (AlGa)As-GaAs solar cells under various irradiation and annealing conditions are discussed. Deep-level transient spectroscopy (DLTS) and capacitance-voltage (CV) techniques were used to determine the defect and recombination parameters such as energy levels and defect density, carrier capture cross sections and lifetimes for both electron and hole traps as well as hole diffusion lengths in these electron irradiated GaAs solar cells. GaAs solar cells used in this study were prepared by the infinite solution melt liquid phase epitaxial (LPE) technique at Hughes Research Lab., with (Al0.9Ga0.1)-As window layer, Be-diffused p-GaAs layer on Sn-doped n-GaAs or undoped n-GaAs active layer grown on n(+)-GaAs substrate. Mesa structure with area of 5.86x1000 sq cm was fabricated. Three different irradiation and annealing experiments were performed on these solar cells.

Li, S. S.↗
DOE OSTI2025

Diffusion of acceptor dopants in monoclinic 𝛽−Ga 2⁢ O 3

𝛽−Ga 2 ⁢O 3 is a promising material for next-generation power electronics because of its ultrawide band gap and high critical breakdown voltage. However, realizing its full potential requires precise control over dopant incorporation and stability. In this work, we use first-principles calculations to systematically assess the diffusion behavior of eight potential deep-level substitutional acceptors (Au, Ca, Co, Cu, Fe, Mg, Mn, and Ni) in 𝛽−Ga 2 ⁢O 3 . We consider two key diffusion mechanisms: (i) interstitial diffusion under nonequilibrium conditions relevant to ion implantation, and (ii) trap-limited diffusion (TLD) under near-equilibrium thermal annealing conditions. Our results reveal a strong diffusion anisotropy along the 𝑏 and 𝑐 axes, with dopant behavior governed by competition between diffusion and incorporation (or dissociation) activation energies. Under interstitial diffusion, Ca$^{2+}_{i}$ and Mg$^{2+}_{i}$ show the most favorable combination of low migration and incorporation barriers, making them promising candidates for efficient doping along the 𝑏 and 𝑐 axes, respectively. In contrast, Au$^{+}_{i}$ diffuses readily, but exhibits an incorporation barrier that exceeds 5 eV, rendering it ineffective as a dopant. From a thermal stability perspective, Co$^{2+}_{i}$ shows poor activation but high diffusion barriers, which may suppress undesirable migration at elevated temperatures. Under trap-limited diffusion, the dissociation of dopant-host complexes controls mobility. Mg$^{2+}_{i}$ again emerges as a leading candidate, exhibiting the lowest dissociation barriers along both axes, whereas Co$^{2+}_{i}$ and Fe$^{2+}_{i}$ display the highest barriers, suggesting improved dopant retention under thermal stress. In conclusion, our findings guide dopant selection by balancing activation and thermal stability, essential for robust semi-insulating substrates.

Defects↗
NASA NTRS2003

Advanced Global Atmospheric Gases Experiment (AGAGE): MIT Contribution

We describe in detail the instrumentation and calibrations used in the ALE, GAGE and AGAGE experiments and present a history of the majority of the anthropogenic ozone- depleting and climate-forcing gases in air based on these experiments. Beginning in 1978, these three successive automated high frequency in-situ experiments have documented the long-term behavior of the measured concentrations of these gases over the past twenty years, and show both the evolution of latitudinal gradients and the high frequency variability due to sources and circulation. We provide estimates of the long-term trends in total chlorine contained in long- lived halocarbons involved in ozone depletion. We summarize interpretations of these measurements using inverse methods to determine trace gas lifetimes and emissions. Finally, we provide a combined observational and modeled reconstruction of the evolution of chlorocarbons by latitude in the atmosphere over the past sixty years which can be used as boundary conditions for interpreting trapped air in glaciers and oceanic measurements of chlorocarbon tracers of the deep oceanic circulation. Some specific conclusions are: (a) International compliance with the Montreal Protocol is so far resulting in chlorofluorocarbon and chlorocarbon mole fractions comparable to target levels, (b) Mole fractions of total chlorine contained in long-lived halocarbons (CCl2F2, CCl3F, CH3CCl3, CCl4, CHClF2, CCl2FCClF2, CH3Cl, CH2Cl2, CHCl3, CCl2=CCl2) in the lower troposphere reached maximum values of about 3.6 ppb in 1993 and are beginning to slowly decrease in the global lower atmosphere, (c) The chlorofluorocarbons have atmospheric lifetimes consistent with destruction in the stratosphere being their principal removal mechanism, (d) Multi-annual variations in chlorofluorocarbon and chlorocarbon emissions deduced from ALUGAGWAGAGE data are consistent approximately with variations estimated independently from industrial production and sales data where available (CCl2F2 (CFC-12) and CCl2FCClF2 (CFC-113) show the greatest discrepancies), (e) The mole fractions of the hydrochlorofluorocarbons and hydrofluorocarbons, which are replacing the regulated halocarbons, are rising very rapidly in the atmosphere but, with the exception of the much longer manufactured CHClF2 (HCFC-22), they are not yet at levels sufficient to contribute significantly to atmospheric chlorine loading. These replacement species could in the future provide independent estimates of the global weighted-average OH concentration provided their industrial emissions are accurately documented, (f) In the future, analysis of pollution events measured using high frequency in-situ measurements of chlorofluorocarbons and their replacements may enable emission estimates at the regional level which, together with industrial end-use data, are of sufficient accuracy to be capable of identifying regional non-compliance with the Montreal Protocol.

Kurylo, Michael↗
DOE OSTI2026

Electronic Trap-State Modulation in Sm-Doped SnO 2 Nanofibers Enables Ultrasensitive Hydrogen Sensing

The demand for sub-ppm hydrogen (H 2 ) sensing is growing across emerging applications such as environmental monitoring, breath-based disease diagnostics, and early-stage battery failure detection. However, achieving reliable ppb-level detection with chemiresistive metal oxide sensors remains challenging. At trace gas concentrations, resistance modulation is often insufficient, particularly in the absence of noble metal catalysts. Here, we report samarium-doped tin dioxide (Sm-SnO 2 ) nanofibers in which electronic trap-state modulation is exploited to enable ultrasensitive hydrogen sensing. The 2 at% Sm-doped SnO 2 nanofibers exhibited markedly enhanced H 2 sensitivity, achieving clear detection down to 25 ppb H 2 at 200 °C, with a theoretical limit of detection of 4.5 ppb, placing this material among the most sensitive noble-metal-free SnO 2 -based H 2 sensors reported to date. Mechanistic investigations through X-ray photoelectron spectroscopy and electron energy loss spectroscopy revealed that Sm 3+ doping introduces deep trap states associated with charge-compensating defect complexes. These states reduce free carrier density, increase baseline resistance, and enable trap-assisted charge release during H 2 exposure, thereby amplifying the sensing response. Trap-state engineering via rare-earth doping, exemplified by Sm-SnO 2 , provides an effective pathway for achieving ppb-level hydrogen detection in noble-metal-free chemiresistive sensors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗