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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 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Structural studies of Pseudomonas and Chromobacterium ω-aminotransferases provide insights into their differing substrate specificity

The X-ray structures of two ω-aminotransferases from P. aeruginosa and C. violaceum in complex with an inhibitor offer the first detailed insight into the structural basis of the substrate specificity of these industrially important enzymes. The crystal structures and inhibitor complexes of two industrially important ω-aminotransferase enzymes from Pseudomonas aeruginosa and Chromobacterium violaceum have been determined in order to understand the differences in their substrate specificity. The two enzymes share 30% sequence identity and use the same amino acceptor, pyruvate; however, the Pseudomonas enzyme shows activity towards the amino donor β-alanine, whilst the Chromobacterium enzyme does not. Both enzymes show activity towards S-α-methylbenzylamine (MBA), with the Chromobacterium enzyme having a broader substrate range. The crystal structure of the P. aeruginosa enzyme has been solved in the holo form and with the inhibitor gabaculine bound. The C. violaceum enzyme has been solved in the apo and holo forms and with gabaculine bound. The structures of the holo forms of both enzymes are quite similar. There is little conformational difference observed between the inhibitor complex and the holoenzyme for the P. aeruginosa aminotransferase. In comparison, the crystal structure of the C. violaceum gabaculine complex shows significant structural rearrangements from the structures of both the apo and holo forms of the enzyme. It appears that the different rigidity of the protein scaffold contributes to the substrate specificity observed for the two ω-aminotransferases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Robust Avalanche (1.5 kV, 2 kA/cm²) in Vertical GaN Diodes on Patterned Sapphire Substrate

The lack of avalanche capability is a key limitation of current lateral GaN devices. Despite the report of avalanche in vertical GaN-on-GaN devices, the high wafer cost hinders device commercialization. Here, in this work, we demonstrate a circuit-level avalanche in vertical GaN diodes on low-cost patterned sapphire substrate (PSS), with the avalanche voltage (1.57 kV) and avalanche current density (>2 kA/cm 2 ) both being the highest reported in GaN devices on foreign substrates. The PSS enables a lower dislocation density than conventional sapphire substrate and is employed in high-voltage GaN devices for the first time. The avalanche voltage in the circuit test reaches 98% of the parallel-plane limit, further affirming that near-ideal avalanche breakdown can be realized on GaN devices on foreign substrates. These results show the promise of the GaN-on-PSS platform for low-cost, robust power devices.

42 ENGINEERING↗
DOE OSTI2014

Heat treatment effects on mechanical properties of atmospheric plasma sprayed Fe{sub x}B coatings on Al substrate

In this work, we draw attention to determination of heat-treatment effects on mechanical properties of atmospheric plasma sprayed (APS) Fe{sub x}B coatings on aluminum substrates by micro-indentation technique. With this regard, iron boride powders of Fe-18.8B-0.2C-0.5Si-0.8Al (wt.%) were deposited onto Al substrates by APS in order to improve the mechanical properties of Al surface. As-sprayed coatings are composed of mainly Fe{sub x}B and iron matrix supersaturated with boron owing to the rapid solidification of molten droplets flattened on a substrate. It was observed that APS coatings exhibited characteristic wavy layered structure having porosity, inclusions, and semi-melted particles. The postfurnace treatment of APS coatings was carried out at temperatures ranged from 450 to 550°C in an argon atmosphere. The post-treatment applied for APS deposits led to increase in hardness of 40% without showing cracks. Furthermore, micro-mechanical properties of Fe{sub x}B coatings were examined by Shimadzu Dynamic Ultra-Microhardness Tester for estimating Young’s modulus and hardness due to load—unload sensing analysis by applying different loads such as 160, 320, and 640 mN to determine load and indentation depth dependency of APS Fe{sub x}B on Al substrate for each samples, in details.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Atomic layer deposition of ultrathin platinum films on tungsten atomic layer deposition adhesion layers: Application to high surface area substrates

Platinum (Pt) atomic layer deposition (ALD) usually yields Pt nanoparticles during initial film growth. In contrast, deposition of continuous and ultrathin Pt films is needed for many important applications, such as the oxygen reduction reaction in polymer electrolyte membrane (PEM) fuel cells. A continuous and high radius of curvature Pt film is more stable and has a higher area-specific activity than the Pt nanoparticles commonly used in PEM fuel cells. However, the Pt film must be ultrathin and have a large surface area to be cost effective. In this paper, a review of earlier Pt ALD studies on flat substrates is presented that demonstrates that tungsten, with a higher surface energy than platinum, can serve as an adhesion layer to achieve Pt ALD films that are continuous at ultrathin thicknesses of ∼1.5 nm. This work utilized MeCpPtMe{sub 3} and H{sub 2} plasma as the Pt ALD reactants. The deposition of continuous and ultrathin Pt ALD films using MeCpPtMe{sub 3} and H{sub 2} plasma as the reactants is then studied on two high surface area substrate materials: TiO{sub 2} nanoparticles and 3M nanostructured thin film (NSTF). Transmission electron microscopy (TEM) showed uniform and continuous Pt films with thicknesses of ∼4 nm on the TiO{sub 2} nanoparticles. TEM with electron energy loss spectroscopy analysis revealed W ALD and Pt ALD films with thicknesses of ∼3 nm that were continuous and conformal on the high aspect ratio NSTF substrates. These results demonstrate that cost effective use of Pt ALD on high surface area substrates is possible for PEM fuel cells.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Spatial atomic layer deposition on flexible substrates using a modular rotating cylinder reactor

Spatial atomic layer deposition (ALD) is a new version of ALD based on the separation of reactant gases in space instead of time. In this paper, the authors present results for spatial ALD on flexible substrates using a modular rotating cylinder reactor. The design for this reactor is based on two concentric cylinders. The outer cylinder remains fixed and contains a series of slits. These slits can accept a wide range of modules that attach from the outside. The modules can easily move between the various slit positions and perform precursor dosing, purging, or pumping. The inner cylinder rotates with the flexible substrate and passes underneath the various spatially separated slits in the outer cylinder. Trimethyl aluminum and ozone were used to grow Al{sub 2}O{sub 3} ALD films at 40 °C on metallized polyethylene terephthalate (PET) substrates to characterize this spatial ALD reactor. Spectroscopic ellipsometry measurements revealed a constant Al{sub 2}O{sub 3} ALD growth rate of 1.03 Å/cycle with rotation speeds from 40 to 100 RPM with the outer cylinder configured for one Al{sub 2}O{sub 3} ALD cycle per rotation. The Al{sub 2}O{sub 3} ALD growth rate then decreased at higher rotation rates for reactant residence times < 5 ms. The Al{sub 2}O{sub 3} ALD films were also uniform to within <1% across the central portion of metallized PET substrate. Fixed deposition time experiments revealed that Al{sub 2}O{sub 3} ALD films could be deposited at 2.08 Å/s at higher rotation speeds of 175 RPM. Even faster deposition rates are possible by adding more modules for additional Al{sub 2}O{sub 3} ALD cycles for every one rotation of the inner cylinder.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Metal-HfO{sub 2}-Ge capacitor: Its enhanced charge trapping properties with S-treated substrate and atomic-layer-deposited HfO{sub 2} layer

The charge trapping properties of metal-HfO{sub 2}-Ge capacitor as a nonvolatile memory have been investigated with (NH{sub 4}){sub 2}S-treated Ge substrate and atomic-layer-deposited HfO{sub 2} layer. The interfacial layer generated by (NH{sub 4}){sub 2}S-treated Ge substrate reveals a trace of -S- bonding, very sharp interface edges, and smooth surface morphology. The Ru-HfO{sub 2}-Ge capacitor with (NH{sub 4}){sub 2}S-treated Ge substrate shows an enhanced interface state with little frequency dispersion, a lower leakage current, and very reliable properties with the enhanced endurance and retention than Ru-HfO{sub 2}-Ge capacitor with cyclic-cleaned Ge substrate.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Microstructure of vapor deposited coatings on curved substrates

Thermal barrier coating systems consisting of a metallic bond coat and ceramic over layer are widely used to extend the life of gas turbine engine components. They are applied using either high-vacuum physical vapor deposition techniques in which vapor atoms rarely experience scattering collisions during propagation to a substrate, or by gas jet assisted (low-vacuum) vapor deposition techniques that utilize scattering from streamlines to enable non-line-of-sight deposition. Both approaches require substrate motion to coat a substrate of complex shape. Here, direct simulation Monte Carlo and kinetic Monte Carlo simulation methods are combined to simulate the deposition of a nickel coating over the concave and convex surfaces of a model airfoil, and the simulation results are compared with those from experimental depositions. The simulation method successfully predicted variations in coating thickness, columnar growth angle, and porosity during both stationary and substrate rotated deposition. It was then used to investigate a wide range of vapor deposition conditions spanning high-vacuum physical vapor deposition to low-vacuum gas jet assisted vapor deposition. The average coating thickness was found to increase initially with gas pressure reaching a maximum at a chamber pressure of 8–10 Pa, but the best coating thickness uniformity was achieved under high vacuum deposition conditions. However, high vacuum conditions increased the variation in the coatings pore volume fraction over the surface of the airfoil. The simulation approach was combined with an optimization algorithm and used to investigate novel deposition concepts to tailor the local coating thickness.

42 ENGINEERING↗
DOE OSTI2015

Vapor deposition on doublet airfoil substrates: Control of coating thickness and microstructure

Gas jet assisted vapor deposition processes for depositing coatings are conducted at higher pressures than conventional physical vapor deposition methods, and have shown promise for coating complex shaped substrates including those with non-line-of-sight (NLS) regions on their surface. These regions typically receive vapor atoms at a lower rate and with a wider incident angular distribution than substrate regions in line-of-sight (LS) of the vapor source. To investigate the coating of such substrates, the thickness and microstructure variation along the inner (curved) surfaces of a model doublet airfoil containing both LS and NLS regions has been investigated. Results from atomistic simulations and experiments confirm that the coating's thickness is thinner in flux-shadowed regions than in other regions for all the coating processes investigated. They also indicated that the coatings columnar microstructure and pore volume fraction vary with surface location through the LS to NLS transition zone. A substrate rotation strategy for optimizing the thickness over the entire doublet airfoil surface was investigated, and led to the identification of a process that resulted in only small variation of coating thickness, columnar growth angle, and pore volume fraction on all doublet airfoil surfaces.

42 ENGINEERING↗
DOE OSTI2016

Ag films grown by remote plasma enhanced atomic layer deposition on different substrates

Silver (Ag) layers were deposited by remote plasma enhanced atomic layer deposition (PALD) using Ag(fod)(PEt{sub 3}) (fod = 2,2-dimethyl-6,6,7,7,8,8,8-heptafluorooctane-3,5-dionato) as precursor and hydrogen plasma on silicon substrate covered with thin films of SiO{sub 2}, TiN, Ti/TiN, Co, Ni, and W at different deposition temperatures from 70 to 200 °C. The deposited silver films were analyzed by x-ray photoelectron spectroscopy (XPS), atomic force microscopy (AFM), scanning electron microscopy (SEM), transmission electron microscopy (TEM) with energy dispersive x-ray spectroscopy, four point probe measurement, ellipsometric measurement, x-ray fluorescence (XRF), and x-ray diffraction (XRD). XPS revealed pure Ag with carbon and oxygen contamination close to the detection limit after 30 s argon sputtering for depositions made at 120 and 200 °C substrate temperatures. However, an oxygen contamination was detected in the Ag film deposited at 70 °C after 12 s argon sputtering. A resistivity of 5.7 × 10{sup −6} Ω cm was obtained for approximately 97 nm Ag film on SiO{sub 2}/Si substrate. The thickness was determined from the SEM cross section on the SiO{sub 2}/Si substrate and also compared with XRF measurements. Polycrystalline cubic Ag reflections were identified from XRD for PALD Ag films deposited at 120 and 200 °C. Compared to W surface, where poor adhesion of the films was found, Co, Ni, TiN, Ti/TiN and SiO{sub 2} surfaces had better adhesion for silver films as revealed by SEM, TEM, and AFM images.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Substrate temperature influence on the properties of GaN thin films grown by hollow-cathode plasma-assisted atomic layer deposition

Gallium nitride films were grown by hollow cathode plasma-assisted atomic layer deposition using triethylgallium and N{sub 2}/H{sub 2} plasma. An optimized recipe for GaN film was developed, and the effect of substrate temperature was studied in both self-limiting growth window and thermal decomposition-limited growth region. With increased substrate temperature, film crystallinity improved, and the optical band edge decreased from 3.60 to 3.52 eV. The refractive index and reflectivity in Reststrahlen band increased with the substrate temperature. Compressive strain is observed for both samples, and the surface roughness is observed to increase with the substrate temperature. Despite these temperature dependent material properties, the chemical composition, E{sub 1}(TO), phonon position, and crystalline phases present in the GaN film were relatively independent from growth temperature.

42 ENGINEERING↗
DOE OSTI2016

Substrate impact on the low-temperature growth of GaN thin films by plasma-assisted atomic layer deposition

Gallium nitride (GaN) thin films were grown on Si (100), Si (111), and c-plane sapphire substrates at 200 °C via hollow-cathode plasma-assisted atomic layer deposition (HCPA-ALD) using GaEt{sub 3} and N{sub 2}/H{sub 2} plasma as group-III and V precursors, respectively. The main aim of the study was to investigate the impact of substrate on the material properties of low-temperature ALD-grown GaN layers. Structural, chemical, and optical characterizations were carried out in order to evaluate and compare film quality of GaN on different substrates. X-ray reflectivity measurements showed film density values of 5.70, 5.74, and 5.54 g/cm{sup 3} for GaN grown on Si (100), Si (111), and sapphire, respectively. Grazing incidence x-ray diffraction measurements exhibited hexagonal wurtzite structure in all HCPA-ALD grown GaN samples. However, dominant diffraction peak for GaN films grown on Si and sapphire substrates were detected differently as (002) and (103), respectively. X-ray diffraction gonio scans measured from GaN grown on c-plane sapphire primarily showed (002) orientation. All samples exhibited similar refractive index values (∼2.17 at 632 nm) with 2–3 at. % of oxygen impurity existing within the bulk of the films. The grain size was calculated as ∼9–10 nm for GaN grown on Si (100) and Si (111) samples while it was ∼5 nm for GaN/sapphire sample. Root-mean-square surface roughness values found as 0.68, 0.76, and 1.83 nm for GaN deposited on Si (100), Si (111), and sapphire, respectively. Another significant difference observed between the samples was the film growth per cycle: GaN/sapphire sample showed a considerable higher thickness value when compared with GaN/Si samples, which might be attributed to a possibly more-efficient nitridation and faster nucleation of sapphire surface.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Strain relaxation in multilayer III–N structures on Si(111) substrates

X-ray diffractometry and X-ray scattering reciprocal space maps have been used to study strain relaxation in a complex buffer composed of seven intermediate layers of Al{sub x}Ga{sub 1−x}N composition with different values of x, decreasing with an increase in the distance from the substrate. The layers have been grown by hydride metalorganic vapor phase epitaxy on silicon and sapphire substrates. Differences in the structural quality of the first four layers of a multilayer buffer grown on different substrates have been revealed. A gradual smoothing out of these differences in the next three layers with an increase in the layer serial number has been shown. The last grown intermediate Al{sub x}Ga{sub 1−x}N layer and the GaN layer grown on it have identical thicknesses and degrees of mosaicity, regardless of the substrate type. Device structures grown on a complex buffer demonstrate emission in approximately the same wavelength range.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Real structure of the ZnO epitaxial films on (0001) leucosapphire substrates coated by ultrathin gold layers

The real structure of ZnO films formed by magnetron sputtering on (0001) leucosapphire substrates coated by an ultrathin (less than 0.7 nm) Au buffer layer has been studied by high-resolution microscopy. It is shown that modification of the leucosapphire substrate surface by depositing ultrathin Au layers does not lead to the formation of Au clusters at the film–substrate interface but significantly improves the structural quality of ZnO epitaxial films. It is demonstrated that the simplicity and scalability of the technique used to modify the substrate surface in combination with a high (above 2 nm/s) film growth rate under magnetron sputtering make it possible to obtain high-quality (0001) ZnO epitaxial films with an area of 5–6 cm{sup 2}.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Electron microscopy of an aluminum layer grown on the vicinal surface of a gallium arsenide substrate

A thin Al layer grown by molecular-beam epitaxy on a misoriented GaAs (100) substrate is studied by transmission electron microscopy. Electron diffraction data and bright-field, dark-field, and high-resolution images show that, in the layer, there are Al grains of three types of crystallographic orientation: Al (100), Al (110), and Al (110)R. The specific structural features of the interfaces between the differently oriented grains and substrate are studied by digital processing of the high-resolution images. From quantitative analysis of the dark-field images, the relative content and sizes of the differently oriented grains are determined. It is found that atomic steps at the substrate surface cause an increase in the fraction and sizes of Al (110)R grains and a decrease in the fraction of Al (100) grains, compared to the corresponding fractions and sizes in the layer grown on a singular substrate surface.

36 MATERIALS SCIENCE↗
DOE OSTI2015

MBE growth of GaP on a Si substrate

It is shown that single-crystal GaP buffer layers can be formed on a Si substrate by molecular-beam epitaxy, with the “migration-enhanced epitaxy” procedure applied in the stage in which the nucleating layer is formed. When a GaP layer is produced on a p-type silicon substrate, a p-n junction is created in a natural way between the p-Si substrate and the surface n-Si layer produced by the diffusion of phosphorus into the substrate during the course of the epitaxial growth of GaP. This p-n junction can be used as the first junction of a silicon-based multijunction photovoltaic converter.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Influence of substrate temperature on structural and optical properties of RF sputtered ZnMnO thin films

The ZnMnO thin films were deposited on glass substrates by radio frequency magnetron sputtering method. The properties of ZnMnO thin films were investigated by high-resolution x-ray diffractometer (HRXRD),atomic force microscopy (AFM), UV-Vis spectrometer and room temperature photoluminescence (PL), under the influence of substrate temperature. The substrate temperature was varied from 300, 400 and 500°C. With increasing the substrate temperature, the structure of the films changed from cubic to hexagonal. The cubic ZnMnO thin films grown along [210] direction, while the hexagonal ones grown along [002] direction. The changes in surface morphology provided a proof on the structural transition. Also, decrease and increase of optical band gap is associated with cubic or hexagonal structure of the films.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Study of the structure of a thin aluminum layer on the vicinal surface of a gallium arsenide substrate by high-resolution electron microscopy

The results of electron-microscopy studies of a thin epitaxial aluminum layer deposited onto a misoriented gallium-arsenide substrate are reported. It is established that the layer consists of differently oriented grains, whose crystal lattices are coherently conjugated with the substrate with the formation of misfit dislocations, as in the case of a layer on a singular substrate. Atomic steps on the substrate surface are visualized, and their influence on the growth of aluminum crystal grains is discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Terahertz-radiation generation in low-temperature InGaAs epitaxial films on (100) and (411) InP substrates

The spectrum and waveforms of broadband terahertz-radiation pulses generated by low-temperature In{sub 0.53}Ga{sub 0.47}As epitaxial films under femtosecond laser pumping are investigated by terahertz time-resolved spectroscopy. The In{sub 0.53}Ga{sub 0.47}As films are fabricated by molecular-beam epitaxy at a temperature of 200°C under different arsenic pressures on (100)-oriented InP substrates and, for the first time, on (411)A InP substrates. The surface morphology of the samples is studied by atomic-force microscopy and the structural quality is established by high-resolution X-ray diffraction analysis. It is found that the amplitude of terahertz radiation from the LT-InGaAs layers on the (411)A InP substrates exceeds that from similar layers formed on the (100) InP substrates by a factor of 3–5.

36 MATERIALS SCIENCE↗