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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 163 records · Page 9
All sourcesNASA NTRSDOE OSTI
NASA NTRS1985

Further research on high open circuit voltage in silicon solar cells

The results of a new research on the use of controlled dopant profiles and oxide passivation to achieve high open circuit voltage V sub oc in silicon solar cells is presented. Ion implantation has been used to obtain nearly optimal values of surface dopant concentration. The concentrations are selected so as to minimize heavy doping effects and thereby provide both high blue response and high V sub oc ion implantation technique has been successfully applied to fabrication of both n-type and p-type emitters. V sub oc of up to 660 mV is reported and AMO efficiency of 16.1% has been obtained.

Spitzer, M. B.↗
NASA NTRS1986

Dc and microwave characteristics of a high current double interface GaAs/InGaAs/AlGaAs pseudomorphic modulation-doped field-effect transistor

Extremely large current double interface GaAs/In(0.15)Ga(0.85)As/Al(0.15)Ga(0.85)As pseudomorphic modulation-doped field-effect transistors (MODFET's) grown by molecular beam epitaxy were achieved. The 1-micron gate devices studied have peak current levels (430 mA/mm at 300 K and 483mA/mm at 77 K) roughly one and a half to two times that found in single interface pseudomorphic MODFET's. These devices also retain high transconductances over a broad range of gate voltage, peaking at 312 mS/mm at 300 K and 362 mS/mm at 77 K. Excellent microwave performance is also obtained with a maximum frequency of oscillation (f-max) of 37 GHz and a current gain cut-off frequency of as high as 23 GHz at 300 K. An output power level of 14 dBm (1 dB gain compression) was obtained at 6 GHz for a 290-micron gate width. This double interface single quantum well MODFET may be of great importance in millimeter wave power amplifiers.

Henderson, T.↗
DOE OSTI2019

Effect of Ti Doping on the Crystallography, Phase, Surface/interface Structure and Optical Band Gap of Ga2O3 Thin Films

The effect of titanium (Ti) doping on the crystal structure, phase, surface/interface chemistry, microstructure and optical band gap of gallium oxide (Ga2O3) (GTO) films is reported. The Ti content was varied from 0 to * 5 at% in cosputtering, using Ga2O3 ceramic and Ti metal targets, deposited GTO films produced. The sputtering power to the Ti target was varied in the range of 0–100 W, while keeping the sputtering power to Ga2O3 constant at 100 W, to produce GTO films with 0–5 at% Ti. The Ti-incorporation-induced effects were significant for the crystal structure, phase, surface/interface chemistry and morphology, which in turn induce changes in the band gap. The high-resolution core-level X-ray photoelectron spectroscopy (XPS) analyses confirm that the Ga ions exist as Ga3? in both intrinsic Ga oxide and GTO films. However, XPS data reveal the formation of Ga2O3–TiO2 films with the presence of Ti4? ions with increasing Ti sputtering power, i.e., higher Ti contents in GTO. Evidence for the formation of nanocrystalline Ga2O3–TiO2 films was also found in the structural analyses performed using electron microscopy and grazing incidence X-ray diffraction. Significant band gap reduction (Eg * 0.9 eV) occurs in GTO films with increasing Ti dopant concentration from 0 to 5 at%. A correlation between the Ti dopant concentration, surface/interface chemistry, microstructure and band gap of GTO films is established.

Manandhar, Sandeep↗
DOE OSTI2019

Effect of Fe Doping and O Vacancies on the Magnetic Properties of Rutile TiO{sub 2}

Magnetism sources of Fe doping and O vacancies, which coexist in the presence of rutile TiO{sub 2}, are controversial and require a resolution. The effects of Fe doping and point defect on the magnetism of rutile TiO{sub 2} were studied using geometry optimization and energy calculation based on the first principle generalized gradient approximation + U method (GGA+U) of density functional theory. Fe/Vo ratio is 1:1 in rutile TiO{sub 2}. The next closest distance between Fe and Vo is 0.04082 nm. The formation energy of the doping system is the smallest. This doping system has the highest stability. The coexistence of Fe doping and O vacancy achieved ferromagnetic long-range order. The different ratios of Fe/Vo are 1:1, 1:2, 2:1, and 2:2. The magnetic properties of the doping system are significantly different. At a ratio of 2:1, the magnetic moment is the largest among all doping systems. Moreover, the Curie temperature of the doping system can be higher than room temperature. These findings can obtain dilute magnetic semiconductors with potential application value. At a Fe/V{sub O} ratio of 2:2, the Ti{sub 14}Fe{sub 2}O{sub 30} system produces a half-metallic property of 100% electron spin polarizability. This is the most valuable application for designing and preparing novel spintronic injection source dilute magnetic semiconductors. The magnetic source is mainly mediated by the holes generated by Fe doping and O vacancy complexes, thereby causing the spin polarization double exchange effect on the electron of Ti–3d orbital atoms near the O vacancy, O–2p electron orbital, and Fe–3d electron orbital. This feature is consistent with the following theories: the mean field approximation and the double exchange mechanism theories.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Effects of Ag Doping and Point Defect on the Magnetism of ZnO

The magnetism sources and magnetic mechanism of Ag doping and point defect, which coexist in the presence of ZnO, are frequently controversial. To solve these problems, the effects of Ag doping and Zn or O vacancy on the magnetism of ZnO were investigated using geometry optimization and energy calculation according to the first-principles generalized gradient approximation + U (GGA+U) method of density functional theory. Results revealed that the system which Ag doping and Zn vacancy coexists in ZnO could achieve room-temperature ferromagnetism. This system had an extremely high spin polarization, which was advantageous for the spin electron injection sources applied in dilute magnetic semiconductors. Result also revealed that the magnetism of Zn{sub 14}AgO{sub 16} was caused by the electron hybrid coupling effects among the O-2p, Ag-4d, Ag-5s, and Zn-4s orbits. And these effects were produced by the hole carriers after complexes were formed by the Ag doping and Zn vacancy. With regard to the most stable structure of the ground state, all doping systems which Ag replacing Zn and O vacancy coexisted in ZnO and those which Ag replacing Zn, interstitial Ag, and O vacancy coexisted in ZnO were all non-magnetic. Thus, these doping systems were unsuitable for dilute magnetic semiconductors. By contrast, the doping systems of interstitial Ag and Zn vacancy were magnetic, although the magnetism was relatively weak, thus rendering such systems inapplicable as well.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1988

Effect of fluoride doping on the transition temperature of YBa2Cu3O(6.5+delta)

The effects of F content on the Tc of superconducting YBa2Cu3F(x)O(6.5+delta-0.5x) (x = 0.0165-1.65) prepared by the solid-state reaction method (Bandsahl and Sandkuhl, 1988) are investigated experimentally. The results are presented in tables and graphs and characterized. Tc is found to increase steadily from 90.8 to 93.4 K as x is increased from 0.0165 to 0.066, but to decrease as x is further increased (Tc = 90.3 K at x = 1.65). The structure of the samples with x = 0.066 or lower is found to be single-phase perovskite.

Bansal, Narottam P.↗
DOE OSTI2021

Effect of substitutional doping and disorder on the phase stability, magnetism, and half-metallicity of Heusler alloys

Spintronics is the fast growing field that will play a key role in optimizing power consumption, memory, and processing capabilities of nanoelectronic devices. Heusler alloys are potential candidates for application in spintronics due to their room temperature (RT) half-metallicity, high Curie temperature, low lattice mismatch with most substrates, and strong control on electronic density of states at Fermi level. In this work, we investigate the effect of substitutional doping and disorder on the half-metallicity, phase stability, and magnetism of Heusler alloys using density functional theory methods. Our study shows that electronic and magnetic properties of half/full-Heusler alloys can be tuned by changing electron-count through controlled variation of chemical compositions of alloying elements. We provide a detailed discussion on the effect of substitutional doping and disorder on the tunability of half-metallic nature of Co 2 MnX and NiMnX based Heusler alloys, where X represents group 13–16 and period 3–6 elements of the periodic table. Based on the idea of electron count and disorder, we predicted a possible existence of thermodynamically stable half-metallic multicomponent bismuthides, for example, (CuNi 3 )Mn 4 Bi 4 and (ZnNi 7 )Mn 8 Bi 8 , through substitution doping at Ni site by specific Cu and Zn composition in half-Heusler NiMnBi. We believe that the design guide based on electron-counts presented for half-metals will play a key role in electronic-structure engineering of novel Heusler alloys for spintronic application, which will accelerate the development and synthesis of novel materials.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Rapid Epitaxial Growth of GdBa{sub 2}Cu{sub 3}O{sub 7-σ} Films by Dilute Co Doping

The effect of dilute Co doping on the epitaxial growth of GdBCO films was investigated by self-developed fluorine-free polymer-assisted metal-organic deposition (PA-MOD) method. Under the same sintering heat treatment, dilute Co doping dramatically improved the crystallinity, microstructure, and critical current density (J{sub c}) of GdBCO films. High J{sub c} of 4.0 MA/cm{sup 2} at 77 K and self-field was obtained in Co-doped film after only sintering for 30 min, which is eight times of the J{sub c} for the undoped film. Also, Co-doped GdBCO film sintered for as short as 20 min still possesses a high J{sub c} of 1.5 MA/cm{sup 2}, whereas the J{sub c} is 0 for the similarly sintered pure film. These results suggest that dilute Co doping facilitates the epitaxial growth of the high-performance GdBCO film.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1993

Characteristics of 0.8- and 0.2-microns gate length In(x)Ga(1-x) As/In(0.52)Al(0.48)As/InP (0.53 less than or equal to x less than or equal to 0.70) modulation-doped field-effect transistors at cryogenic temperatures

The performance characteristics of InP-based In(x)Ga(1-x)As/In(0.52)Al(0.48)As (0.53 is less than or equal to x is less than or equal to 0.70) pseudomorphic modulation-doped field-effect transistors (MODFET's) as a function of strain in the channel, gate, length, and temperature were investigated analytically and experimentally. The strain in the channel was varied by varying the In composition x. The temperature was varied in the range of 40-300 K and the devices have gate lengths L(sub g) of 0.8 and 0.2 microns. Analysis of the device was done using a one-dimensional self consistent solution of the Poisson and Schroedinger equations in the channel, a two-dimensional Poisson solver to obtain the channel electric field, and a Monte Carlo simulation to estimate the carrier transit times in the channel. An increase in the value of the cutoff frequency is predicted for an increase in In composition, a decrease in temperature, and a decrease in gate length. The improvements seen with decreasing temperature, decreasing gate length, and increased In composition were smaller than those predicted by analysis. The experimental results on pseudomorphic InGaAs/InAlAs MODFET's showed that there is a 15-30 percent improvement in cutoff frequency in both the 0.8- and 0.2-micron gate length devices when the temperature is lowered from 300 to 40 K.

Lai, Richard↗
DOE OSTI2023

Effects of rhodium doping on dislocation nucleation in a [001] SrNi 2 P 2 single crystal under spherical nanoindentation

Nanoindentation was performed on SrNi 2 P 2 single crystals and their dilute solid solutions, Sr(Ni 1–x Rh x ) 2 P 2 (x = 0 ~ 0.055), under [001] loading to investigate the effects of elemental doping on Young’s modulus and dislocation nucleation stress. The results show that Young’s modulus and the dislocation nucleation stress decrease as the Rh content increases, and their Rh content dependence also varies with the Rh content. Electron diffraction analysis and the anisotropic lattice distortion calculations revealed that a local structural transition from the orthorhombic superstructure to the tetragonal structure and local compressive residual stresses could be the main reasons for the decrease in Young’s modulus and dislocation nucleation stress, respectively. The overlap of stress–strain fields between Rh atoms and the associated local structural transition contribute to their Rh content dependence. Here, the results also indicate that elemental doping does not necessarily strengthen materials if the incipient plasticity is controlled by dislocation nucleation, unlike conventional solid solution strengthening.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of Carbon Doping on CO 2 –Reduction Activity of Single Cobalt Sites in Graphitic Carbon Nitride

Single atom catalysts have demonstrated interesting activity in a variety of applications. In this study, we prepared single C o2+ sites on graphitic carbon nitride (C 3 N 4 ), which was doped with carbon for enhanced activity in visible-light CO 2 reduction. The synthesized materials were characterized with a variety of techniques, including microscopy, X-ray powder diffraction, UV-vis spectroscopy, infrared spectroscopy, photoluminescence spectroscopy, and X-ray absorption spectroscopy. Here, doping C 3 N 4 with carbon was found to have profound effect on the photocatalytic activity of the single Co 2+ sites. At relatively low levels, carbon doping enhanced the photoresponse of C 3 N 4 in the visible region and improved charge separation upon photoactivation, thereby enhancing the photocatalytic activity. Furthermore, high levels of carbon doping were found to be detrimental to the photocatalytic activity of the single Co 2+ sites by altering the structure of C 3 N 4 and generating defect sites responsible for charge recombination.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Unusual effects of Be doping in the iron-based superconductor FeSe

Recent superconducting transition temperatures (T c ) over 100 K for monolayer FeSe on SrTiO 3 have renewed interest in the bulk parent compound. In KCl:AlCl 3 flux-transport-grown crystals of FeSe 0.94 Be 0.06 , FeSe 0.97 Be 0.03 and, for comparison, FeSe, this work reports doping of FeSe using Be—among the smallest of possible dopants, corresponding to an effective 'chemical pressure'. According to lattice parameter measurements, 6% Be doping shrank the tetragonal FeSe lattice equivalent to a physical pressure of 0.75 GPa. Using this flux-transport method of sample preparation, 6% of Be was the maximum amount of dopant achievable. At this maximal composition of FeSe 0.94 Be 0.06 , the lattice unit cell shrinks by 2.4%, T c —measured in the bulk via specific heat—increases by almost 10%, the T c versus pressure behavior shifts its peak T$onset\atop{c}$downwards by ~1 GPa, the high temperature structural transition around T S = 89 K increases by 1.9 K (in contrast to other dopants in FeSe which uniformly depress T S), and the low temperature specific heat γ increases by 10% compared to pure FeSe. Also, upon doping by 6% Be the residual resistivity ratio, ρ(300 K)/ρ(T → 0), increases by almost a factor of four, while ρ(300 K)/ρ(T=$+\atop{c}$) increases by 50%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1996

Effect of Pt Doping on Nucleation and Crystallization in Li2O.2SiO2 Glass: Experimental Measurements and Computer Modeling

Heterogeneous nucleation and its effects on the crystallization of lithium disilicate glass containing small amounts of Pt are investigated. Measurements of the nucleation frequencies and induction times with and without Pt are shown to be consistent with predictions based on the classical nucleation theory. A realistic computer model for the transformation is presented. Computed differential thermal analysis data (such as crystallization rates as a function of time and temperature) are shown to be in good agreement with experimental results. This modeling provides a new, more quantitative method for analyzing calorimetric data.

Narayan, K. Lakshmi↗
DOE OSTI2025

Ab initio prediction of FeCr sigma (001)/FCC Fe(111) interfacial energy: Effect of interfacial doping of C, B, and N

Interfacial energy plays a crucial role for high-temperature material systems in determining their microstructure evolution and mechanical properties. Optimizing the interfacial energy through doping can improve the stability, performance, and overall functionality of these materials. Here, the present study delivers theoretical investigation on the sigma FeCr (001)//FCC Fe (111) interfacial energy using ab initio methods, focusing on the implications of interfacial doping with important interstitial elements carbon (C), boron (B), and nitrogen (N). The calculated interfacial energy without doping is 0.183J/m 2 . Upon doping, notable reductions in interfacial energy were observed. Doping with B decreased the interfacial energy to 0.046J/m 2 , with single C doping to 0.126J/m 2 , with two C doping to 0.098J/m 2 , and with a single N doping to 0.071J/m 2 . These findings not only shed light on the atomistic origin for the effect of stabilizing the microstructure of stainless steel at elevated temperatures by interstitial doping, but also present a systematic, thorough ab initio approach to predict interfacial doping properties and guide alloy design to enhance the performance and stability.

FeCr sigma phase↗
DOE OSTI2026

Effects of heteroatom doping on hydrogen uptake in tungsten oxide

Redox-active transition metal oxides (TMOs) that can undergo proton-insertion coupled electron transfer (PICET) are promising candidates for catalyzing molecular conversion reactions which require the transfer of hydrogen atoms (or the thermochemical equivalent, H + , e − ). Herein, we studied the effects of isovalent (Mo 6+ ) and aliovalent (V 5+ and Nb 5+ ) heteroatom doping on the electrochemical PICET behavior of monoclinic tungsten oxide (WO 3 ). Cyclic voltammetry in aqueous acidic electrolytes shows that the addition of redox-active heteroatoms (Mo 6+ and V 5+ ) leads to systematic shifts in redox couple half-wave potentials (E 1/2 ), broadening, and an overall decrease in the current response. Conversely, the non-redox active heteroatom (Nb 5+ ) only reduces the current response with no observable peak-current broadening. This broadening is attributed to changes in the proton binding affinities of oxygen in different chemical environments, i.e., bridging different pairs of redox-active transition metal cations. We determined the hydrogen bond dissociation free energy (H BDFE) values to elucidate the thermodynamic effect of heteroatom substitution. Density functional theory calculations reveal a differentiation in the hydrogen binding and oxygen vacancy formation energies between heteroatom doped structures. The PICET-induced structural phase transitions of the pristine and doped samples were further probed with operando electrochemical X-ray diffraction (EC-XRD) and with ex situ chemical reduction. The broadening of the potential-dependent current response with increased heteroatom doping manifests in the operando EC-XRD results as prolonged structural regions where multiple hydrogen bronze phases exist and the appearance of cubic bronze phases at lower degrees of reduction compared to pristine WO 3 .

Holzapfel, Noah P. [North Carolina State Universit↗
NASA NTRS1974

Effect of chromia doping of thermal stability of silica fibers

Commercial silica fibers of the type being evaluated for reusable surface insulation for reentry vehicles were found to be porous and composed of subfibers. The effect on shrinkage and devitrification of soaking such silica fibers in water, acetic acid, chromium acetate, and chromium nitrate solutions was studied. Felted specimens made of chromia-doped fibers shrunk only about one-half as much as those made of untreated fibers after exposure in air for 4 hours at 1300 C. The devitrification rate of fibers given prolonged soaks in chromium nitrate was as low as that of as-received fibers.

Zaplatynsky, I.↗
DOE OSTI2023

Magnetocaloric Effect in Lightly‐Doped Fe 5 Si 3 Single Crystals

Abstract Development of promising new materials for above room temperature magnetic cooling applications relies on careful balancing of structure and composition to maximize accessible metastable phases that can drive a strong magnetocaloric effect (MCE). However, the working temperatures of these materials may fall outside of desired application windows. In this work, it is shown that it is possible to control metastable phase stability temperatures of Fe 5 Si 3 through selection of appropriate spin and charge doping. Here, the parent material's desired structure appears only within a narrow temperature range from 1098 to 1303 K. Doping with Mn and P is shown to allow stabilization of the parent's high temperature phase and resulting MCE to room temperature. The structural and magnetic properties, and the magnetocaloric effect of single crystal Fe 4.83 Mn 0.16 Si 2.91 P 0.09 (FMSP) are investigated experimentally and theoretically. A first‐order magneto‐elastic transition is observed at 348 K, where magnetic onset is accompanied by a change in lattice volume without an apparent change in crystal symmetry. Although the trace Mn and P doping are found to decrease the T C , the maximum magnetic entropy change Δ S Max ( T ) and the relative cooling power (RCP) of FMSP are enhanced compared to polycrystalline Fe 5 Si 3 . As a result, an intrinsically broader entropy change over a larger temperature span is generated in the lightly doped single crystal of Fe 5 Si 3 . The magnetic moment of the system is also enhanced. Density functional theory (DFT) calculations are performed to gain microscopic insights into the experimental findings. The results suggest that the hexagonal Fe 5 Si 3 is a new giant room temperature MCE material that is on par with La–Fe–Si and Fe‐Mn‐P‐Si systems.

36 MATERIALS SCIENCE↗