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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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Assessment of rare earth element fractionation in NIF implosions with radiochemically doped capsules

An ongoing experimental campaign at the National Ignition Facility (NIF) aims to measure neutron induced nuclear reaction cross–sections using radiochemically doped target capsules. Critical to this campaign is the ability to collect a representative sample of the reaction products using Solid Radiochemical Collectors (SRCs) fielded around the NIF chamber. The shot presented in this paper used a doped target capsule with a neopentane gas fill was to investigate the ratio of isotopes collected at three chamber angles. It was found that SRC samples of rare earth elements collected from NIF are representative of the ingoing dopant mix, thereby concluding that fractionation does not occur during a NIF implosion. This validates the doped capsule method for use in measuring neutron induced reaction cross-sections.

Capsule Doping↗
DOE OSTI2026

Gas electroluminescence in a dual phase xenon-doped argon detector

Noble element detectors using argon or xenon as the detection medium are widely used in the searches for rare neutrino and dark matter interactions. Xenon doping in liquid argon can preserve attractive properties of an argon target while enhancing the detectable signals with properties of xenon. Here, in this work, we deployed a dual-phase liquid argon detector with up to 4% xenon doping in the liquid and studied its gas electroluminescence properties as a function of xenon concentration. At ∼2% xenon doping in liquid argon, we measured ∼34 ppm of xenon in the gas and observed ∼2.5 times larger electroluminescence signals using vacuum ultraviolet silicon photomultipliers than those in pure argon. Analysis of signals of different wavelengths confirms that the argon gas electroluminescence process is strongly modified by the addition of xenon. We propose an analytical model to describe the underlying energy transfer mechanism in argon-xenon gas mixtures. Lastly, the implications of this measurement for low-energy ionization signal detection will be discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Low-temperature and effective ex situ group V doping for efficient polycrystalline CdSeTe solar cells

CdTe solar cell technology is one of the lowest-cost methods of generating electricity in the solar industry, benefiting from fast CdTe absorber deposition, CdCl 2 treatment and Cu doping. However, Cu doping has low photovoltage and issues with instability. Doping group V elements into CdTe is therefore a promising route to address these challenges. Although high-temperature in situ group V doped CdSeTe devices have demonstrated efficiencies exceeding 20%, they face obstacles including post-deposition doping activation processes, short carrier lifetimes and low activation ratios. Here, we demonstrate low-temperature and effective ex situ group V doping for CdSeTe solar cells using group V chlorides. For AsCl 3 doped CdSeTe solar cells, the dopant activation ratio can be 5.88%, hole densities reach >2 × 10 15 cm -3 and carrier lifetime is longer than 20 ns. Thus, ex situ As doped CdSeTe solar cells show open-circuit voltages ~863 mV, compared to the highest open-circuit voltage of 852 mV for Cu doped CdSeTe solar cells.

14 SOLAR ENERGY↗
NASA NTRS2005

Study of Electromagnetic Scattering From Material Object Doped Randomly With Thin Metallic Wires Using Finite Element Method

A new numerical simulation method using the finite element methodology (FEM) is presented to study electromagnetic scattering due to an arbitrarily shaped material body doped randomly with thin and short metallic wires. The FEM approach described in many standard text books is appropriately modified to account for the presence of thin and short metallic wires distributed randomly inside an arbitrarily shaped material body. Using this modified FEM approach, the electromagnetic scattering due to cylindrical, spherical material body doped randomly with thin metallic wires is studied.

Deshpande, Manohar D.↗
NASA NTRS1995

Chemical stabilization and high pressure synthesis of Ba-free Hg-based superconductors, (Hg,M)Sr2Ca(n-1)Cu(n)O(y)(n=1 to approximately 3)

A homologous series of new Hg-based HTSC compounds, (Hg,M)Sr2Ca(n - 1)Cu(n)P(y) with n = 1 to 3, have been synthesized. The stabilization of the pure phases have been accomplished by chemical doping of third elements such as M = Cr, Mo and Re. While the Hgl2O1(n = 1) phase was readily obtained in this way, it was necessary to simultaneously dope Y into the Ca site to stabilize the Hg1212(n = 2) phase. On the other hand, single-phase Y-free Hg1212(n = 2) and Hg1223 (n = 3) samples were synthesized only under a high pressure of 6 GPa. In sharp contrast to the Ba containing compounds, all the samples prepared in the present study have been quite stable during the synthesis and no deterioration in air has been observed after the preparation.

Kishio, K.↗
NASA NTRS2005

Doping-Induced Interband Gain in InAs/AlSb Quantum Wells

A paper describes a computational study of effects of doping in a quantum well (QW) comprising a 10-nm-thick layer of InAs sandwiched between two 21-nm-thick AlSb layers. Heretofore, InAs/AlSb QWs have not been useful as interband gain devices because they have type-II energy-band-edge alignment, which causes spatial separation of electrons and holes, thereby leading to weak interband dipole matrix elements. In the doping schemes studied, an interior sublayer of each AlSb layer was doped at various total areal densities up to 5 X 10(exp 12) / square cm. It was found that (1) proper doping converts the InAs layer from a barrier to a well for holes, thereby converting the heterostructure from type II to type I; (2) the resultant dipole matrix elements and interband gains are comparable to those of typical type-I heterostructures; and (3) dipole moments and optical gain increase with the doping level. Optical gains in the transverse magnetic mode can be almost ten times those of other semiconductor material systems in devices used to generate medium-wavelength infrared (MWIR) radiation. Hence, doped InAs/AlSb QWs could be the basis of an alternative material system for devices to generate MWIR radiation.

Kolokolov, K. I.↗
DOE OSTI2020

Increasing Capacity in Disordered Rocksalt Cathodes by Mg Doping

Using both computations and experiments, we demonstrate that the performance of Li-excess cation-disordered rocksalt cathodes can be improved by Mg substitution. Furthermore we find that Mg reduces the amount of Li in the compound that is strongly bound to F and thereby increases the capacity. This enables the use of fluorination as a tool to improve stability of the compounds without significant loss of capacity. Mg emerged as the most optimal substitution element from a systematic computational study aimed at identifying inactive doping elements with a strong enough bonding strength to fluorine to displace Li from the F environments. Our results also show that capacity can be traded for cycle life depending on whether Mg is substituted for Li or for the redox metal. This design strategy should be considered in fluorinated cathodes, which will facilitate the design of optimized disordered rocksalt oxyfluoride cathodes.

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

Heavy boron doping effects on biaxially tensile strained germanium (>1.5%) investigated via structural characterization, effective lifetime assessment and atomistic modeling

Highly tensile strained germanium (ε-Ge) represents an essential material system for emerging electronic and photonics applications. Moreover, adjusting the doping levels to moderate or high concentrations can effectively tailor the properties of ε-Ge for specific applications. This article combines experimental characterization with a theoretical framework to examine the effects of heavy elemental boron (B) doping on pseudomorphic sub-50 nm ε-Ge. High resolution X-ray diffractometry is used to validate tensile strain levels of 1.53% and 1.68% in Ge epilayers, surpassing the indirect-to-direct band gap crossover point at ∼1.5% biaxial tensile strain. Cross-sectional transmission electron microscopy revealed visual evidence of stacking faults and surface roughening in 1.68% ε-Ge, although a coherent and abrupt Ge/III–V heterointerface is observed, devoid of interfacial misfit dislocations. Effective lifetime measurements demonstrated approximately twofold enhancement in 1.53% B-doped ε-Ge (N B ∼7 × 10 19 cm −3 ) compared to its unstrained B-doped counterpart, while no such improvement was observed in 1.68% B-doped ε-Ge. This lack of enhancement is attributed to the presence of stacking faults and surface roughness within the ε-Ge epilayer. Through density functional theory calculations, we independently demonstrate that substitutional B atoms induce local deformation of Ge–Ge bonds in both unstrained Ge and ε-Ge epilayers, resulting in an additive tensile strain. This phenomenon could potentially lead to dynamic reduction and overcoming of the critical layer thickness for the system, facilitating the nucleation and subsequent glide of 90° leading Shockley partial dislocations, thereby generating stacking faults. In essence, these findings establish an upper limit on the B-doping concentration that can be achieved in highly ε-Ge epilayers, and collectively, offer valuable insights into the significance of heavy doping in Ge-based heterostructures. As such, this study delineates a fundamental constraint for integrating heavily doped ε-Ge in high-performance optoelectronic systems, necessitating precise strain-doping co-optimization to avoid performance degradation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Optical, electrical, and EPR studies of polycrystalline Al:Cr:ZnSe gain elements

Transition metal-doped II-VI (TM:II-VI) chalcogenides are well-known laser materials for optically pumped middle-infrared lasers. Cr:ZnSe is a key representative of this class of transition metal doped II-VI gain media and is arguably considered the material of choice for optically pumped middle-infrared lasers. In addition to effective mid-IR lasing under optical excitation, these crystals, being wide-band semiconductors, hold the potential for direct electrical excitation. One way to form n-type conductivity in ZnSe crystals is by annealing them in a melt of Zn-Al alloy. However, this annealing of Cr:ZnSe crystals results in their purification and transfer of chromium to the melt of Zn-Al alloy. In this article, we report on optimizing the doping technique for providing n-type conductivity in Al:Cr:ZnSe crystals while preserving the chromium concentration. Al:Cr:ZnSe samples with resistivities ranging from 10.8 to 992 Ω-cm were fabricated. While the 2 + valence state of Cr is typically dominant in Cr:ZnSe, both Cr 2+ and Cr + were detected in Al:Cr:ZnSe samples. The maximum level of Cr + concentration was measured to be 4 × 10 18 cm -3 .

36 MATERIALS SCIENCE↗
DOE OSTI2021

Absence of a Dirac gap in ferromagnetic Cr x (Bi 0.1 Sb 0.9 ) 2-x Te 3

Magnetism breaks the time-reversal symmetry expected to open a Dirac gap in 3D topological insulators that consequently leads to the quantum anomalous Hall effect. The most common approach of inducing a ferromagnetic state is by doping magnetic 3d elements into the bulk of 3D topological insulators. In Cr 0.15 (Bi 0.1 Sb 0.9 ) 1.85 Te 3 , the material where the quantum anomalous Hall effect was initially discovered at temperatures much lower than the ferromagnetic transition, T C , the scanning tunneling microscopy studies have reported a large Dirac gap of ~20–100 meV. The discrepancy between the low temperature of quantum anomalous Hall effect (< C ) and large spectroscopic Dirac gaps (>>T C ) found in magnetic topological insulators remains puzzling. Here, we used angle-resolved photoemission spectroscopy to study the surface electronic structure of the pristine and potassium doped surface of Cr 0.15 (Bi 0.1 Sb 0.9 ) 1.85 Te 3 . Upon potassium deposition, the p-type surface state of the pristine sample was turned into an n-type, allowing the spectroscopic observation of Dirac point. Finally, we find a gapless surface state, with no evidence of a large Dirac gap reported in tunneling studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

The quest for safer nuclear fuels

Here, to increase the safety and performance of nuclear reactors, researchers are working on developing ‘accident tolerant’ fuels. Ideally, these fuel pellets will be less susceptible to swelling and be more resistant to extreme heat. This led chemists to develop uranium dioxide (UO 2 ) doped with divalent elements, E 2+ . These dopants can introduce vacancies into the lattice that lead to larger grain sizes, which create longer pathways for fission gasses to migrate out of the grains. In undoped fuel, fission gas build-up at grain boundaries causes the fuel pellet to swell. Therefore, having larger grains that slow fission gas migration into grain boundaries is highly desired. Divalent Cr 2+ ions are a commonly explored dopant for UO 2 fuels. These materials have larger grain sizes while maintaining the dissolution kinetics of undoped UO 2 , making their long-term storage and disposal paths similarly safe. Atomistic models have suggested that Mn 2+ is a conceivable alternative doping material, with the potential to increase the sizes of grains even more than Cr 2+ dopants. As such, experimental studies are required to understand the physical chemistry and reactivity of these potential fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

Correlated X‐Ray and Electron Microscopies of a Single Biphasic GaAs Nanowire

Engineering the properties of semiconductors by changing their crystalline phase is a technologically and economically relevant alternative to doping using foreign elements, with strong potential for photonic and electronic applications. Although major advances have been reported recently for crystal‐phase engineering of III‐V and group IV semiconductor nanowires, interfacing two mismatched crystalline phases in a nanostructure induces several deformation mechanisms, which remain largely unexplored. Here, using state‐of‐the‐art synchrotron X‐ray nanobeam diffraction and transmission electron microscopy, subtle twisting and bending is unveiled within an individual GaAs nanowire containing cubic and hexagonal segments. Their role is discussed in accommodating the inter‐reticular spacing fluctuations, and their variations are correlated to the nanoscale phase distribution and to the effect of the NW support. This study brings direct evidence of a complex combination of deformation mechanisms in biphasic nanowires, which opens a new path to tune the nanowire properties with appealing perspectives for device engineering in nanophotonics and nanomechanics.

III-V semiconductors↗
DOE OSTI2020

Tunable structural and magnetic properties of NiAs-type Mn x Sb (1.00≤x≤1.30) compounds

Mn-based alloys can exhibit a variety of magnetic properties related to their tunable exchange interactions. Here, structural and magnetic properties of hexagonal NiAs-type Mn x Sb (1.00≤x≤1.30) compounds are studied with a combination of X-ray diffraction, neutron diffraction, and magnetic measurements. It is found that the magnetization, Curie temperature, and magnetocrystalline anisotropy of Mn x Sb compounds can be tuned by controlling Mn concentration and doping at interstitial (2d) sites. With increasing Mn concentration, magnetic moments of Mn atoms decrease and deviate gradually from the ab-plane to the c-axis for 1.20≤x≤1.22 at room temperature, which leads to a decrease of the Curie temperature T c and the spin reorientation temperature T SR . By doping with nonmagnetic elements, a substantial room-temperature magnetocaloric effect without magnetic hysteresis was achieved for Mn 1.12 Zr 0.1 Sb compound, which is highly beneficial to the practical magnetic refrigeration application.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Novel Amorphous Carbons for the Adsorption of Phosphate: Part I. Elucidation of Chemical Structure of N-Metal-Doped Chars

Due to phosphate’s necessity in agriculture and its danger to the environment, the development of adsorbents for its removal has been the subject of intensive research activity. Although the introduction of nitrogen functionality to chars and modification of biochar with metals have proven to change the character of the char structure, making it more active toward nutrients, there is no study regarding the doping of biochar with metals and nitrogen simultaneously for the adsorption of phosphates. This paper is the first of two in which we report the production, characterization, and evaluation of N-metal-doped biochars from cellulose for phosphate removal from liquid effluents. In this part, we describe the production and characterization of N-Ca-, N-Fe-, and N-Mg-doped biochars. The elemental composition and surface area of each of the materials produced is reported. Elemental and surface characterization of the chars are reported with the largest N content appearing at a temperature of 800 °C (12.5 wt %) and a maximum surface area for biochar produced at 900 °C (1314 m2/g). All of the adsorbents were visualized by scanning electron microscope (SEM), confirming that although there are some crystals on the surface of the biochar produced, most of the N, Mg, and Ca are part of the polyaromatic ring structure. Transmission electron microscope (TEM) images clearly show the formation of nanoclusters with the metals in the case of N-Fe and N-Ca biochars. The N-Mg biochars show a uniform distribution of the Mg through the carbon surface. X-ray photoelectron spectroscopy (XPS) studies of the biochars produced with metals and varying nitrogen levels clearly show Mg and Ca peaks shifting their position in the presence of N, suggesting the formation of stable structures between metals and N in the carbon polyaromatic ring system. To elucidate the nature of these structures, we conducted DFT-based calculations on different configurations of the nitrogenated structures. The calculated binding energy shifts were found to closely match the XPS experimental binding energy, confirming the likelihood of these structures in biochar. Finally, based on our experimental and modeling results, we hypothesize that an important fraction of the Mg and Ca is introduced to these biochars at the edges. Another fraction of Mg and Ca is in the form of phthalocyanine-like internal structures. More experimental studies are needed to confirm the formation of these very interesting structures and their potential use as adsorbents or catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Modified Calcium Manganites for Thermochemical Energy Storage Applications

CaAl 0.2 Mn 0.8 O 3-δ (CAM28) and CaTi 0.2 Mn 0.8 O 3-δ (CTM28) are perovskite metal oxides developed for high-temperature thermochemical energy storage (TCES) applications, e.g., in support of air Brayton power generation. Previous reports for these compounds focus on the equilibrium non-stoichiometry (δ) as a function of temperature and oxygen partial pressure (pO 2 ) and the endotherm (or exotherm) accompanying changes in δ resulting from thermal reduction (or re-oxidation). Herein, we report results for elemental substitution and doping (Al, Co, Fe, La, Sr, Ti, Y, Zn, and Zr) of calcium manganites (CM) that establish the preference for CAM28 and CTM28. Techniques employed include conventional (screening and equilibrium) and ballistically heated multi-cycle thermogravimetric analysis (TGA), conventional and high temperature ( in-situ ) X-ray diffraction (XRD), and differential scanning calorimetry (DSC). Forward-looking results for A-site Y-doped materials, e.g., Ca 0.9 Y 0.1 MnO 3-δ (CYM910), establish a route to increasing the reduction enthalpy relative to CAM28 and CTM28, albeit at the expense of increased reduction temperatures and raw materials costs. A thermodynamic model presented for CAM28, but extendable to related materials, provides values for the reaction enthalpy and extent of reduction as a function of temperature and oxygen partial pressure for use in design efforts. Taken as a whole, the results support the choice of Al-doped CaMnO 3-δ as a low-cost material for TCES in a high temperature air Brayton application, but point the way to achieving higher stored energy densities that could lead to overall cost savings.

Miller, James E.↗
DOE OSTI2022

Strain Engineering: A Pathway for Tunable Functionalities of Perovskite Metal Oxide Films

Perovskite offers a framework that boasts various functionalities and physical properties of interest such as ferroelectricity, magnetic orderings, multiferroicity, superconductivity, semiconductor, and optoelectronic properties owing to their rich compositional diversity. These properties are also uniquely tied to their crystal distortion which is directly affected by lattice strain. Therefore, many important properties of perovskite can be further tuned through strain engineering which can be accomplished by chemical doping or simply element substitution, interface engineering in epitaxial thin films, and special architectures such as nanocomposites. In this review, we focus on and highlight the structure–property relationships of perovskite metal oxide films and elucidate the principles to manipulate the functionalities through different modalities of strain engineering approaches.

36 MATERIALS SCIENCE↗
NASA NTRS1992

Pressure transducer and system for cryogenic environments

A silicon pressure die is bonded to a borosilicate substrate above the pneumatic port. A Wheatstone bridge circuit is formed on the silicon pressure die and has bridge elements of silicon doped with boron to a deposit density level of approximately 1 x 10(exp 19)-10(exp 21) boron/cc. A current source is provided to excite the Wheatstone bridge circuit. In addition, a temperature sensor is provided to provide temperature readings. An array may be formed of the resulting pressure transducers. This unique solution of materials permits operation of a pressure transducer in cryogenic environments.

Chapman, John J.↗
NASA NTRS1993

Transition metals in superheat melts

A series of experiments with silicate melts doped with transition element oxides was carried out at atmospheric pressures of inert gas at temperatures exceeding liquidus. As predicted from the shape of fO2 buffer curves in T-fO2 diagrams the reducing conditions for a particular oxide-metal pair can be achieved through the T increase if the released oxygen is continuously removed. Experimental studies suggest that transition metals such as Cr or V behave as siderophile elements at temperatures exceeding liquidus temperatures if the system is not buffered by the presence of other oxide of more siderophile element. For example the presence of FeO prevents the reduction of Cr2O3. The sequence of decreasing siderophility of transition elements at superheat conditions (Mo, Ni, Fe, Cr) matches the decreasing degree of depletion of siderophile elements in mantle rocks as compared to chondrites.

Jakes, Petr↗