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At least 451 records · Page 25

Structural investigations of hydrogenated epitaxial graphene grown on 4H-SiC (0001)

Structural investigations of hydrogenated epitaxial graphene grown on SiC(0001) are presented. It is shown that hydrogen plays a dual role. In addition to contributing to the well-known removal of the buffer layer, it goes between the graphene planes, resulting in an increase of the interlayer spacing to 3.6 Å–3.8 Å. It is explained by the intercalation of molecular hydrogen between carbon planes, which is followed by H{sub 2} dissociation, resulting in negatively charged hydrogen atoms trapped between the graphene layers, with some addition of covalent bonding to carbon atoms. Negatively charged hydrogen may be responsible for p-doping observed in hydrogenated multilayer graphene.

36 MATERIALS SCIENCE↗

Thin insulating tunneling contacts for efficient and water-resistant perovskite solar cells

Here, we demonstrated that inserting a tunneling layer between perovskite and electron transport layer could significantly increase device performance by suppressing carrier recombination at the cathode contact. The tunneling layer can also serve as an encapsulation layer to prevent perovskite film from damage caused by water or moisture. This method is simple because it does not need lattice matching between the buffer layer and perovskite. The low temperature solution process makes it compatible with many types of perovskite materials, and may be applied for anode contact as well. The freedom to choose any insulating layer for contact enables more device designs and manufacturing.

25 ENERGY STORAGE↗

Control of Thermal Convection in Layered Fluids Using Magnetic fields

Immiscible fluid layers are found in a host of applications ranging from materials processing, for example the use of encapsulants in float zone crystal growth technique and a buffer layer in industrial Czochralski growth of crystals to prevent Marangoni convection, to heat transfer phenomena in day-to-day processes like the presence of air pockets in heat exchangers. In the microgravity and space processing realm, the exploration of other planets requires the development of enabling technologies in several fronts. The reduction in the gravity level poses unique challenges for fluid handling and heat transfer applications. The present work investigates the efficacy of controlling thermal convective flow using magnetic fluids and magnetic fields. The setup is a two-layer immiscible liquids system with one of the fluids being a diluted ferrofluid (super paramagnetic nano particles dispersed in carrier fluid). Using an external magnetic field one can essentially dial in a volumetric force - gravity level, on the magnetic fluid and thereby affect the system thermo-fluid behavior. The paper will describe the experimental and numerical modeling approach to the problem and discuss results obtained to date.

Ramachandran, N.↗

Epitaxy of GaN(0001) and GaN(10 1-bar 1) Layers on Si(100) Substrate

Two different approaches to epitaxy of 4-μm-thick layers of polar GaN(0001) and semipolar GaN(10 1-bar 1) on a V-shaped nanostructured Si(100) substrate with nanometer-thick SiC and AlN buffer layers have been experimentally demonstrated. The GaN(0001) layers were synthesized by hydride vapor-phase epitaxy, and GaN(10 1-bar 1) layers, by metal-organic vapor-phase epitaxy, with the growth completed by hydride vapor-phase epitaxy. It was shown that layers of the polar GaN(0002) have a longitudinal elastic stress of –0.45 GPa and the minimum full width at half-maximum of the X-ray diffraction rocking curve ω{sub θ} ~ 45 arcmin, whereas for the semipolar GaN(10 1-bar 1), these values are –0.29 GPa and ω{sub θ} ~ 22 arcmin, respectively. A conclusion is drawn that the combined technology of semipolar gallium nitride on a silicon (100) substrate is promising.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

In Situ MOVPE Smoothing of Acoustically Spalled GaAs for Substrate Reuse

High material costs, especially for substrates, have limited the widespread adoption of III-V photovoltaics. A potential to reduce this cost is to reuse the III-V substrate via acoustic spalling, however this technique can leave a rough surface, hindering subsequent device performance. This research investigates the potential of using metalorganic vapor-phase epitaxy growth as a buffer layer to smooth the surface of acoustically spalled germanium and gallium arsenide (GaAs) substrates for improved III-V photovoltaic cell yield and performance, while retaining the maximum number of reuses of a substrate. Three potential smoothing layers were explored: lightly doped C:GaAs, highly doped Se:GaInP, and lightly doped Se:GaInP. C:GaAs showed the most promise as a smoothing layer, while Se:GaInP tended to conform to the underlying morphology, potentially increasing roughness in some areas. Utilizing 5 ..mu..m of C:GaAs as a planarizing buffer increased the average efficiency (without an antireflection coating) from an as-spalled baseline from 2.1% to 4.9% and performing a 5-min 30 degrees C 8:1:1 H2SO4:H2O2:H2O etch prior to a 5 ..mu..m of C:GaAs as a planarizing buffer further increased efficiency to 11.1%.

14 SOLAR ENERGY↗

Growth parameters affecting the formation of buried CoSi2 by endotaxy of Co on Si(111)

At growth temperatures of roughly 800 C, Co deposited on Si (111 ) diffuses through a Si capping layer and exhibits oriented growth on buried CoSi2 seeds, a process referred to as endotaxy. This occurs preferentially to surface nucleation of CoSi2 under certain growth conditions. High-quality continuous single-crystal buried silicide layers have been obtained by endotaxy. This requires very low densities of attractive nucleation sites other than the buried seeds. For this reason, use of a silicon buffer layer and a low base pressure in the molecular-beam epitaxy system are found to be essential. Growth conditions required for high-quality layers and problems which result from growth outside these limits are discussed.

Fathauer, R. W.↗

Compositionally graded relaxed AlGaN buffers on semipolar GaN for mid-ultraviolet emission

In this Letter, we report on the growth and properties of relaxed, compositionally graded Al{sub x}Ga{sub 1-x}N buffer layers on freestanding semipolar (2021) GaN substrates. Continuous and step compositional grades with Al concentrations up to x = 0.61 have been achieved, with emission wavelengths in the mid-ultraviolet region as low as 265 nm. Coherency stresses were relaxed progressively throughout the grades by misfit dislocation generation via primary (basal) slip and secondary (non-basal) slip systems. Threading dislocation densities in the final layers of the grades were less than 10{sup 6}/cm{sup 2} as confirmed by plan-view transmission electron microscopy and cathodoluminescence studies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Intentional anisotropic strain relaxation in (112{sup ¯}2) oriented Al{sub 1−x}In{sub x}N one-dimensionally lattice matched to GaN

We report on (112{sup ¯}2) oriented Al{sub 1−x}In{sub x}N grown by low pressure metal organic vapor phase epitaxy on (112{sup ¯}2) GaN templates on patterned r-plane sapphire. The indium incorporation efficiency as well as the growth rate of (112{sup ¯}2) oriented layers are similar to c-plane oriented Al{sub 1−x}In{sub x}N layers. Deposition of thick Al{sub 1−x}In{sub x}N layers does not lead to additional roughening like in case of c-plane oriented Al{sub 1−x}In{sub x}N. Independent of the thickness, the degree of relaxation of layers lattice matched in m-direction is in the range of 33%–45% in [112{sup ¯}3{sup ¯}]-direction. Associated with the relaxation in [112{sup ¯}3{sup ¯}]-direction, there is a tilt of the Al{sub 1−x}In{sub x}N layers around the [11{sup ¯}00] axis due to slip of threading dislocations on the basal (0001)-plane. Relaxation in m-direction is not observable for layers lattice matched in [112{sup ¯}3{sup ¯}] direction. The possibility to adjust the lattice parameter of AlInN in [112{sup ¯}3{sup ¯}] direction without changing the lattice parameter in m-direction by anisotropic strain relaxation opens up opportunities for subsequent growth of optically active structures. One possibility is to form relaxed buffer layers for GaInN quantum well structures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Turbulent boundary layer separation over a rearward facing ramp and its control through mechanical excitation

A vane oscillating about a fixed point at the inlet to a two-dimensional 20 degree rearward facing ramp has proven effective in delaying the separation of a turbulent boundary layer. Measurements of the ramp surface static pressure coefficient obtained under the condition of vane oscillation and constant inlet velocity revealed that two different effects occurred with surface distance along the ramp. In the vicinity of the oscillating vane, the pressure coefficients varied as a negative function of the vane's trailing edge rms velocity; the independent variable on which the rms velocity depends are the vane's oscillation frequency and its displacement amplitude. From a point downstream of the vane to the exit of the ramp; however, the pressure coefficient varied as a more complex function of the two independent variables. That is, it was found to vary as a function of the vane's oscillation frequency throughout the entire range of frequencies covered during the test, but over only a limited range of the trailing edge displacement amplitudes covered. More specifically, the value of the pressure coefficient was independent of increases in the vane's displacement amplitude above approximately 35 inner wall units of the boundary layer. Below this specific amplitude it varied as a function of the vane's trailing edge rms velocity. This height is close to the upper limit of the buffer layer. A parametric study was made to determine the variation of the maximum static pressure recovery as a function of the vane's oscillation frequency, for several ramp inlet velocities and a constant displacement amplitude of the vane's trailing edge. The results indicate that the phenomenon producing the optimum delay of separation may be Strouhal number dependent. Corona anemometer measurements obtained in the inner wall regions of the boundary layer for the excited case reveal a large range of unsteadiness in the local velocities. These measurements imply the existence of inflections in the profiles, which provide a mechanism for resulting inviscid flow instabilities to produce turbulence in the near wall region, thereby delaying separation of the boundary layer.

Mckinzie, Daniel J., Jr.↗

N-Type delta Doping of High-Purity Silicon Imaging Arrays

A process for n-type (electron-donor) delta doping has shown promise as a means of modifying back-illuminated image detectors made from n-doped high-purity silicon to enable them to detect high-energy photons (ultraviolet and x-rays) and low-energy charged particles (electrons and ions). This process is applicable to imaging detectors of several types, including charge-coupled devices, hybrid devices, and complementary metal oxide/semiconductor detector arrays. Delta doping is so named because its density-vs.-depth characteristic is reminiscent of the Dirac delta function (impulse function): the dopant is highly concentrated in a very thin layer. Preferably, the dopant is concentrated in one or at most two atomic layers in a crystal plane and, therefore, delta doping is also known as atomic-plane doping. The use of doping to enable detection of high-energy photons and low-energy particles was reported in several prior NASA Tech Briefs articles. As described in more detail in those articles, the main benefit afforded by delta doping of a back-illuminated silicon detector is to eliminate a "dead" layer at the back surface of the silicon wherein high-energy photons and low-energy particles are absorbed without detection. An additional benefit is that the delta-doped layer can serve as a back-side electrical contact. Delta doping of p-type silicon detectors is well established. The development of the present process addresses concerns specific to the delta doping of high-purity silicon detectors, which are typically n-type. The present process involves relatively low temperatures, is fully compatible with other processes used to fabricate the detectors, and does not entail interruption of those processes. Indeed, this process can be the last stage in the fabrication of an imaging detector that has, in all other respects, already been fully processed, including metallized. This process includes molecular-beam epitaxy (MBE) for deposition of three layers, including metallization. The success of the process depends on accurate temperature control, surface treatment, growth of high-quality crystalline silicon, and precise control of thicknesses of layers. MBE affords the necessary nanometer- scale control of the placement of atoms for delta doping. More specifically, the process consists of MBE deposition of a thin silicon buffer layer, the n-type delta doping layer, and a thin silicon cap layer. The n dopant selected for initial experiments was antimony, but other n dopants as (phosphorus or arsenic) could be used. All n-type dopants in silicon tend to surface-segregate during growth, leading to a broadened dopant-concentration- versus-depth profile. In order to keep the profile as narrow as possible, the substrate temperature is held below 300 C during deposition of the silicon cap layer onto the antimony delta layer. The deposition of silicon includes a silicon- surface-preparation step, involving H-termination, that enables the growth of high-quality crystalline silicon at the relatively low temperature with close to full electrical activation of donors in the surface layer.

Blacksberg, Jordana↗

Application of Analytical Heat Transfer Models of Multi-layered Natural and Engineered Barriers in Potential High-Level Nuclear Waste Repositories - 12435

A combination of transient heat transfer analytical solutions for a finite line source, a series of point sources, and a series of parallel infinite line sources were combined with a quasi-steady-state multi-layered cylindrical solution to simulate the temperature response of a deep geologic radioactive waste repository with multi-layered natural and engineered barriers. This evaluation was performed to provide information to scientists and decision makers to compare candidate geologic media for a repository (crystalline rock [granite], clay, salt, and deep borehole), and to provide input for the future evaluation of the trade-off between pre-emplacement surface storage time, waste package size, and repository footprint. This approach was selected in favor of the finite element solution typically used to analyze the temperature response because it allowed rapid comparison of a large number of alternative disposal options and design configurations. More than 100 combinations of waste form, geologic environment, repository design configuration, and surface storage times were analyzed and compared. The analytical solution approach used to analyze the repository temperature response allowed rapid comparison of a large number of alternative disposal options and design configurations. More than 100 combinations of waste form, geologic environment, repository design configuration, and surface storage times were analyzed and compared. This approach allowed investigation of the sensitivity of the results to combinations of parameters that show that there is much flexibility to be gained in terms of spent fuel management options by varying a few key parameters. This initial analysis used representative design concepts and thermal constraints based on international design concepts, and it also included waste forms representing future fuel cycles with high burnup fuels. Unlike repository designs with large open tunnels and pre-closure ventilation, all of the disposal concepts analyzed in this study used enclosed emplacement modes, where the waste packages were in direct contact with encapsulating engineered or natural materials. The deep borehole repository concept limits the size of the SNF waste packages and may require rod consolidation to fit within the drill casing diameter. A single assembly waste package, assuming rod consolidation, was evaluated in the current analysis. Similar size restrictions apply for the HLW canisters. At this time no thermal constraints have been defined for the deep borehole repository concept. Representative EBS materials and properties were evaluated. However, changes in EBS design concepts and materials can also have significant effects on the maximum waste package surface temperature. Increased thermal conductivity of the buffer layer can be achieved by using an engineered buffer consisting of a mixture of graphite, sand, and bentonite [14]. One of the advantages of the analytical model is that it highlights the sensitivity of the results to the parameters that define the repository layout, including spacing between axial and lateral neighboring waste packages and drifts. It is clear that repository layout adjustments can be made to reduce the calculated peak temperatures. The results also show that significant reductions in required surface storage times can be achieved if higher thermal constraints can be justified Additional studies are planned to evaluate the trade-offs between surface storage times, repository layout parameters, and variations in EBS design concepts. Model validation and uncertainties will also be addressed. It is expected that shorter surface storage times and more optimized repository design configurations may be achieved. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Protecting the properties of monolayer MoS 2 on silicon based substrates with an atomically thin buffer

Semiconducting 2D materials, like transition metal dichalcogenides (TMDs), have gained much attention for their potential in opto-electronic devices, valleytronic schemes, and semi-conducting to metallic phase engineering. However, like graphene and other atomically thin materials, they lose key properties when placed on a substrate like silicon, including quenching of photoluminescence, distorted crystalline structure, and rough surface morphology. The ability to protect these properties of monolayer TMDs, such as molybdenum disulfide (MoS 2 ), on standard Si-based substrates, will enable their use in opto-electronic devices and scientific investigations. Here we show that an atomically thin buffer layer of hexagonal-boron nitride (hBN) protects the range of key opto-electronic, structural, and morphological properties of monolayer MoS 2 on Si-based substrates. The hBN buffer restores sharp diffraction patterns, improves monolayer flatness by nearly two-orders of magnitude, and causes over an order of magnitude enhancement in photoluminescence, compared to bare Si and SiO 2 substrates. Lastly, our demonstration provides a way of integrating MoS 2 and other 2D monolayers onto standard Si-substrates, thus furthering their technological applications and scientific investigations.

36 MATERIALS SCIENCE↗

GaSb solar cells grown on GaAs via interfacial misfit arrays for use in the III-Sb multi-junction cell

We present that growth of GaSb with low threading dislocation density directly on GaAs may be possible with the strategic strain relaxation of interfacial misfit arrays. This creates an opportunity for a multijunction solar cell with access to a wide range of well-developed direct bandgap materials. Multijunction cells with a single layer of GaSb/GaAs interfacial misfit arrays could achieve higher efficiency than state-of-the-art inverted metamorphic multi-junction cells while forgoing the need for costly compositionally graded buffer layers. To develop this technology, GaSb single junction cells were grown via molecular beam epitaxy on both GaSb and GaAs substrates to compare homoepitaxial and heteroepitaxial GaSb device results. The GaSb-on-GaSb cell had an AM1.5g efficiency of 5.5% and a 44-sun AM1.5d efficiency of 8.9%. The GaSb-on-GaAs cell was 1.0% efficient under AM1.5g and 4.5% at 44 suns. The lower performance of the heteroepitaxial cell was due to low minority carrier Shockley-Read-Hall lifetimes and bulk shunting caused by defects related to the mismatched growth. A physics-based device simulator was used to create an inverted triple-junction GaInP/GaAs/GaSb model. Lastly, the model predicted that, with current GaSb-on-GaAs material quality, the not-current-matched, proof-of-concept cell would provide 0.5% absolute efficiency gain over a tandem GaInP/GaAs cell at 1 sun and 2.5% gain at 44 suns, indicating that the effectiveness of the GaSb junction was a function of concentration.

14 SOLAR ENERGY↗

Interface atomic structures in a cadmium arsenide/III–V semiconductor heterostructure

The interface atomic structure between an epitaxial thin film of the prototype topological semimetal cadmium arsenide (Cd 3 As 2 ) and a III–V semiconductor layer is investigated using high-angle annular dark-field imaging in an aberration-corrected scanning transmission electron microscope. We find that the interface unit cell adopts a defined stoichiometry that is CdSb-like, which is achieved through the insertion of periodically arranged Cd vacancies in the terminating Cd-plane of Cd 3 As 2 . This interface stoichiometry is consistent with the Sb-termination of the III–V layer and the fact that CdSb is the thermodynamically stable phase in the Cd–Sb binary system. We find at least two distinct alignments of the film with respect to the buffer layer, which are characterized by a $\frac{1}{4}$ <100> Cd 3 As 2 shift parallel to the interface. We show that steps of half unit cell height in the III–V layer can produce these distinct interface structures.

74 ATOMIC AND MOLECULAR PHYSICS↗

Study on GaN buffer leakage current in AlGaN/GaN high electron mobility transistor structures grown by ammonia-molecular beam epitaxy on 100-mm Si(111)

The effect of carbon doping on the structural and electrical properties of GaN buffer layer of AlGaN/GaN high electron mobility transistor (HEMT) structures has been studied. In the undoped HEMT structures, oxygen was identified as the dominant impurity using secondary ion mass spectroscopy and photoluminescence (PL) measurements. In addition, a notable parallel conduction channel was identified in the GaN buffer at the interface. The AlGaN/GaN HEMT structures with carbon doped GaN buffer using a CBr{sub 4} beam equivalent pressure of 1.86 × 10{sup −7} mTorr showed a reduction in the buffer leakage current by two orders of magnitude. Carbon doped GaN buffers also exhibited a slight increase in the crystalline tilt with some pits on the growth surface. PL and Raman measurements indicated only a partial compensation of donor states with carbon acceptors. However, AlGaN/GaN HEMT structures with carbon doped GaN buffer with 200 nm thick undoped GaN near the channel exhibited good 2DEG characteristics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Room-temperature spin-polarized organic light-emitting diodes with a single ferromagnetic electrode

In this paper, we demonstrate the concept of a room-temperature spin-polarized organic light-emitting diode (Spin-OLED) structure based on (i) the deposition of an ultra-thin p-type organic buffer layer on the surface of the ferromagnetic electrode of the Spin-OLED and (ii) the use of oxygen plasma treatment to modify the surface of that electrode. Experimental results demonstrate that the brightness of the developed Spin-OLED can be increased by 110% and that a magneto-electroluminescence of 12% can be attained for a 150 mT in-plane magnetic field, at room temperature. This is attributed to enhanced hole and room-temperature spin-polarized injection from the ferromagnetic electrode, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An Evaluation of A Physics-Based Firn Model and A Semi-Empirical Firn Model Across the Greenland Ice Sheet (1980–2020)

The Greenland Ice Sheet's (GrIS) firn layer buffers the ice sheet's contribution to sea level rise by storing meltwater in its pore space. However, available pore space and meltwater retention capability is lost due to ablation of the firn layer and refreezing of meltwater as near-surface ice slabs in the firn. Understanding how firn properties respond to climate is important for constraining the GrIS's future contribution to sea level rise in a warming climate. Observations of firn density provide detailed information about firn properties, but they are spatially and temporally limited. Here we use two firn models, the physics-based SNOWPACK model and the Community Firn Model configured with a semi-empirical densification equation (CFM-GSFC), to quantify firn properties across the GrIS from 1980 through 2020. We use an identical forcing (Modern-Era Retrospective Analysis for Research and Applications, version 2 (MERRA-2) atmospheric reanalysis) for SNOWPACK and the CFM-GSFC in order to isolate firn model differences. To evaluate the models, we compare simulated firn properties, including firn air content (FAC), to measurements from the Surface Mass Balance and Snow on Sea Ice Working Group (SUMup) dataset of snow and firn density. Both models perform well (mean absolute percentage errors of 14 % in SNOWPACK and 16 % in the CFM-GSFC), though their performance is hindered by the spatial resolution of the atmospheric forcing. In the ice-sheet-wide simulations, the 1980–1995 average spatially integrated FAC (i.e., air volume in the firn) for the upper 100 m is 34 645 km 3 from SNOWPACK and 28 581 km 3 from the CFM-GSFC. The discrepancy in the magnitude of the modeled FAC stems from differences in densification with depth and variations in the sensitivity of the models to atmospheric forcing. In more recent years (2005–2020), both models simulate substantial depletion of pore space. During this period, the spatially integrated FAC across the entire GrIS decreases by 3.2 % (−66.6 km 3 yr −1 ) in SNOWPACK and 1.5 % (−17.4 km 3 yr −1 ) in the CFM-GSFC. These differing magnitudes demonstrate how model differences propagate throughout the FAC record. Over the full modeled record (1980–2020), SNOWPACK simulates a loss of pore space equivalent to 3 mm of sea level rise buffering, while the CFM-GSFC simulates a loss of 1 mm. The greatest depletion in FAC is along the margins and especially along the western margin where observations and models show the formation of near-surface, low-permeability ice slabs that may inhibit meltwater storage.

Megan Thompson-Munson↗

Preliminary analysis of FCM fuel thermal-mechanical performance under normal and transient conditions

Fully ceramic microencapsulated (FCM) fuel is a candidate fuel form to replace commercial UO{sub 2} fuel rod in LWR to enhance fuel reliability under accident conditions. The FCM pellet consists of TRISO particles embedded inside the dense SiC matrix. This fuel design is more complex than conventional LWR fuel, which needs new fuel performance models or analysis tools to assist fuel design and concept evaluation. In this paper an attempt was made to develop a finite element method to analyze FCM fuel pellet thermal-mechanical performance. Three idealized cases of normal operation, power ramp, and LOCA were analyzed. The results showed that the temperature distribution and stress distribution of FCM pellet exhibited a strong non-uniformity. The irradiation strain and creep of buffer layer and PyC (pyrolytic carbon) layers had a strong effect on the mechanical performance of FCM pellet. The hoop stresses of SiC layers and SiC matrix increased significantly during the LOCA and varied with radial positions. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗