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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Growth of (111) oriented NiFe{sub 2}O{sub 4} polycrystalline thin films on Pt (111) via sol-gel processing

Polycrystalline NiFe{sub 2}O{sub 4} (NFO) thin films are grown on (111) platinized Si substrates via chemical solution processing. {theta}-2{theta} x-ray diffraction, x-ray pole figures and electron diffraction indicate that the NFO has a high degree of <111> uniaxial texture normal to the film plane. The texturing is initiated by nucleation of (111) planes at the Pt interface and is enhanced with decreasing film thickness. As the NFO magnetic easy-axis is <111>, the out-of-plane magnetization exhibits improved M{sub r}/M{sub s} and coercivity with respect to randomly oriented films on silicon substrates. The out-of-plane M{sub r}/M{sub s} ratio for (111) textured NFO thin film is improved from 30% in 150 nm-thick films to above 70% in 50 nm-thick films. The improved out-of-plane magnetic anisotropy is comparable to epitaxial NFO films of comparable thickness deposited by pulsed laser deposition and sputtering.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Analysis of tank 7 surface supernatant sample (FTF-7-15-26) in support of corrosion control program

This report provides the results of analyses on Savannah River Site Tank 7 surface supernatant liquid sample in support of the Corrosion Control Program (CCP). The measured nitrate, nitrite and free-hydroxide concentrations for the Tank 7 surface sample averaged, 3.74E-01 ± 1.88E-03, 4.17E-01 ± 9.01E-03 and 0.602 ± 0.005 M, respectively. The Tank 7 surface cesium-137, sodium and silicon concentrations were, respectively, 3.99E+08, ± 3.25E+06 dpm/mL, 2.78 M and <3.10 mg/L. The measured aluminum concentration in the Tank 7 surface sample averaged 0.11 M.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

In Situ TEM Investigation of Congruent Phase Transition and Structural Evolution of Nanostructured Silicon/Carbon Anode for Lithium Ion Batteries

It is well known that upon lithiation both crystalline and amorphous Si transform to a armorphous LixSi phase, which subsequently crystallizes to a (Li, Si) crystalline compound, either Li15Si or Li22Si5. Up to date, the detailed atomistic mechanism of this phase transformation, and degradation process in nanostructured Si, are not fully understood. Here, we report the microstructural evolution and phase transformation characteristic of a specially designed amorphous silicon (a-Si) coated carbon nanofiber (CNF) composite during charge/discharge process using in-situ TEM and density function theory molecular dynamic (DFT-MD) calculation. We found that the crystallization of Li15Si4 from amorphous LixSi is a spontaneous, congruent phase transition process without phase separation or large scale atomic motion, which is drastically different from what is expected from a classic nucleation and growth process. The a-Si layer is strongly bonded to the CNF and no spallation or cracking is observed during the early stages of cyclic charge/discharge. Reversible volume expansion/contraction upon charge/discharge is fully accommodated along the radial direction. However, with progressive cycling, damage in the form of surface roughness was gradually accumulated on the coating layer, which is believed to be the mechanism for the eventual capacity fade of the composite anode during long term charge/discharge cycling.

25 ENERGY STORAGE↗
DOE OSTI2018

Final Report: Thin Silicon Solar Cells - A Path to 35% Shockley-Queisser Limits

Carrier selective contacts have revolutionized efficiencies of silicon solar cell, with the most recent efficiencies showing 26.3% efficiency. The project has substantially advanced the understanding and state of the art in carrier selective contacts, providing experimental and conceptual advances. Additionally, over the course of the project, there has been increasing interest on the development of silicon based tandems, and the project provided several critical advances that support the development of silicon-based tandems. Key outcomes of the project include: Highest voltage from a carrier selective contact solar cell Demonstration of GaP as a selective carrier contact, using intrinsic a-Si as a membrane layer Demonstration of highest efficiency solar cell using MoOx as a carrier selective contact Fundamental processes in the carrier selective contacts, including advances in understanding transport in carrier selective contact Identification of processes and approaches to circumvent minority carrier lifetime degradation of silicon during growth of III-V’s on silicon Demonstration of approaches to improve absorption in solar cells using improved rear reflectors Improved understanding of processes that control the FF of a solar cell First demonstration of a GaP/Si heterostructure solar cell using GaP as a hetero-emitter

14 SOLAR ENERGY↗
DOE OSTI2014

High-Rate Fabrication of a-Si-Based Thin-Film Solar Cells Using Large-Area VHF PECVD Processes

The University of Toledo (UT), working in concert with it’s a-Si-based PV industry partner Xunlight Corporation (Xunlight), has conducted a comprehensive study to develop a large-area (3ft x 3ft) VHF PECVD system for high rate uniform fabrication of silicon absorber layers, and the large-area VHF PECVD processes to achieve high performance a-Si/a-SiGe or a-Si/nc-Si tandem junction solar cells during the period of July 1, 2008 to Dec. 31, 2011, under DOE Award No. DE-FG36-08GO18073. The project had two primary goals: (i) to develop and improve a large area (3 ft × 3 ft) VHF PECVD system for high rate fabrication of > = 8 Å/s a-Si and >= 20 Å/s nc-Si or 4 Å/s a-SiGe absorber layers with high uniformity in film thicknesses and in material structures. (ii) to develop and optimize the large-area VHF PECVD processes to achieve high-performance a-Si/nc-Si or a-Si/a-SiGe tandem-junction solar cells with >= 10% stable efficiency. Our work has met the goals and is summarized in “Accomplishments versus goals and objectives”.

14 SOLAR ENERGY↗
DOE OSTI2019

Application of time-of-flight secondary ion mass spectrometry to the detection of surface intermediates during the first cycle of atomic layer deposition (ALD) of platinum on silica surfaces

Atomic layer deposition (ALD) has become the method of choice for many applications requiring the controlled growth of thin films on solid surfaces. Yet, the use of metalorganic precursors typical in these depositions adds significant complexity to the chemistry involved. Unfortunately, it is difficult to obtain direct information about the surface species that participate in the reaction mechanisms of ALD. Here we illustrate the value of using time-of-flight secondary ion mass spectrometry (ToF-SIMS) for this purpose. A specific example is provided, a study of the first cycle of deposition of platinum using trimethyl(methylcyclopentadienyl)platinum (IV), or MeCpPt(CH 3 ) 3, on silicon oxide surfaces. In previous investigations of this process, we have determined that the low reactivity of the MeCpPt(CH 3 ) 3 precursor, which hinders fast deposition, can be partially overcome by gas-phase electron-impact activation. What has not been clear is what chemical species form on the solid surface as a result of such activation. Here we show that the MeCp ligand is quite stable and that it remains intact and coordinated to the Pt atoms upon adsorption on the surface. It was also established that some of the methyl groups may remain bound to the Pt center: the main species detected on the silicon oxide surfaces were MeCpPt and MeCpPt(CH 3 ). On the other hand, it appears that no Pt intermediates without MeCp ligands are formed during this initial adsorption. Finally, O 2 treatment of these surfaces at elevated temperature to complete the first ALD cycle leads to the complete removal of all the organic ligands: no evidence for MeCp or methyl groups is seen in the ToF-SIMS traces from the final samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Very slow decay of a defect related emission band at 2.4 eV in AlN: Signatures of the Si related shallow DX state

We report on a defect related luminescence band at 2.4 eV in aluminum nitride bulk crystals, for which we find strong indications to be related to silicon DX centers. Time resolved photoluminescence spectroscopy using a sub-bandgap excitation reveals two different recombination processes with very long decay times of 13 ms and 153 ms at low temperature. Based on the results of temperature and excitation dependent photoluminescence experiments, the process with the shorter lifetime is assigned to a donor-acceptor pair transition involving the shallow silicon donor state, which can be emptied with a thermal dissociation energy of 65 meV. The slower process with a thermal quenching energy of 15 meV is assigned to the slightly deeper Si DX state known from electron paramagnetic resonance experiments, which is transferred back to the shallow donor state.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Atomically smooth and homogeneously N-polar AlN film grown on silicon by alumination of Si{sub 3}N{sub 4}

By using an alumination process of Si{sub 3}N{sub 4} at high temperature with aluminum flux irradiation for sufficient time, homogeneously N-polar and atomically smooth AlN film has been realized on silicon substrate with inversion domain suppressed to less than 3.0 Multiplication-Sign 10{sup 6} cm{sup -2} and root mean square surface roughness of {approx}0.4 nm. A general interface model is proposed to explain the mechanism of polarity determination. The sharp AlN(0001)/Si(111) interface exhibits 5:4 coincidence domain matching, resulting in an almost fully relaxed AlN film.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Assessing atomically thin delta-doping of silicon using mid-infrared ellipsometry

Hydrogen lithography has been used to template phosphine-based surface chemistry to fabricate atomic-scale devices, a process we abbreviate as atomic precision advanced manufacturing (APAM). In this work, we use mid-infrared variable angle spectroscopic ellipsometry (IR-VASE) to characterize single-nanometer thickness phosphorus dopant layers (δ-layers) in silicon made using APAM compatible processes. A large Drude response is directly attributable to theδ-layer and can be used for nondestructive monitoring of the condition of the APAM layer when integrating additional processing steps. Furthermore, the carrier density and mobility extracted from our room temperature IR-VASE measurements are consistent with cryogenic magneto-transport measurements, showing that APAM δ-layers function at room temperature. Finally, the permittivity extracted from these measurements shows that the doping in the APAM δ-layers is so large that their low-frequency in-plane response is reminiscent of a silicide. However, there is no indication of a plasma resonance, likely due to reduced dimensionality and/or low scattering lifetime.

2D material↗
DOE OSTI2014

The effect of dipole boron centers on the electroluminescence of nanoscale silicon p{sup +}−n junctions

Nanoscale silicon p{sup +}−;n junctions with very high concentration of boron, 5 10{sup 21} cm{sup −3}, are found to demonstrate interesting optical properties. Emission band dominated in near-infrared electroluminescence (EL) spectra possesses high degree of the linear polarization along preferred crystallographic axis which can be controlled by the lateral voltage applied in the plane of the p{sup +}−n junction. Such behavior together with the temperature dependence of the EL intensity is attributed to the presence of the self-compensating dipole boron centers, B{sup +}-B{sup −}, with negative correlation energy which are identified using the ESR technique in the nanoscale silicon p{sup +}−n junctions heavily doped with boron. The model of the recombination process though the negative-U dipole boron centers controlling the optical properties of the nanoscale silicon p{sup +}−n junctions is proposed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2011

FinFET Doping; Material Science, Metrology, and Process Modeling Studies for Optimized Device Performance

In this review paper the challenges that face doping optimization in 3-dimensional (3D) thin-body silicon devices will be discussed, within the context of material science studies, metrology methodologies, process modeling insight, ultimately leading to optimized device performance. The focus will be on ion implantation at the method to introduce the dopants to the target material.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Enabling Efficiencies > 22.5% with Metal Oxide Passivating Contacts using Low-Cost Spatial Atomic Layer Deposition (Final Technical Report)

In this project, the University of Central Florida (UCF) worked to both increase module efficiency and reduce manufacturing cost by driving demonstrated lab-scale passivating contact technology using materials and processes compatible with high-volume manufacturing for crystalline silicon (c-Si) photovoltaic (PV) cells. Passivating contacts have garnered significant attention in recent years. They provide a means of suppressing contact recombination, a loss mechanism that limits the performance of industrially relevant cell architectures like Al back surface field (Al-BSF) cells and passivated emitter and rear cells (PERC). Most of the development of passivating contact technology has focused on the use of doped amorphous silicon or doped polysilicon contacts, but both suffer from parasitic optical absorption amongst other issues. Our team developed fully transparent hole-selective heterojunctions, deposited using atomic layer deposition (ALD), and showed how they could be incorporated into c-Si PV cells. The team conducted experiments to understand the process-structure-property relationship of hole-selective oxides, surface passivation oxide materials, and transparent conductive oxides deposited by ALD, and use that understanding to reduce contact recombination, contact resistivity, and parasitic optical absorption within c-Si PV cells. Before getting into the details of the report, we would like to note that COVID-19 has made it more challenging to conduct experimental research at UCF. UCF has a number of mandatory policies in place to ensure social distancing, testing, and contact tracing are all carried out in day-to-day operations. Despite these challenges, we worked diligently to make progress on this project in a manner that was as safe as possible. Over the course of the project, the UCF team and its collaborators have made the following discoveries and developments.

14 SOLAR ENERGY↗
DOE OSTI2012

Controlling Dopant Profiles in Hyperdoped Silicon by Modifying Dopant Evaporation Rates During Pulsed Laser Melting

We describe a method to control the sub-surface dopant profile in 'hyperdoped' silicon fabricated by ion implantation and pulsed laser melting. Dipping silicon ion implanted with sulfur into hydrofluoric acid prior to nanosecond pulsed laser melting leads to a tenfold increase in the rate of sulfur evaporation from the surface of the melt. This results in an 80% reduction of the near-surface dopant concentration, effectively embedding the hyperdoped region in a layer up to 180 nm beneath the surface. This method should facilitate the development of blocked impurity band devices.

14 SOLAR ENERGY↗
DOE OSTI2012

Innovative process for submicronic Cu particle deposition onto various substrates

Highlights: Black-Right-Pointing-Pointer New process for deposition of copper nanoparticles onto various substrates. Black-Right-Pointing-Pointer Functionalization with phosphorus to enhance chemical bonding between Cu and substrate. Black-Right-Pointing-Pointer Control of size, number and location of the deposited particles. Black-Right-Pointing-Pointer Applicable to other metals, possibility to solve problems of assembling in many fields. -- Abstract: The efficiency of composite materials heavily relies on the ability of assembled materials to form strong interfaces, for allowing a good transfer of properties. High chemical affinity between the assembled materials is beneficial to the composite, whereas the assembly of materials with a weak mutual affinity is more difficult. When the interface is known to be non-cohesive, additional elements are commonly used to bond the matrix to the reinforcements. In the case of copper and carbon bonding, boron and chromium layers are frequently used . These additional bonding layers can, however, affect the properties of the composite, degrading for instance its mechanical or thermal properties. We report here an innovative process enabling the selective deposition of copper nanoparticles on substrates of various types (carbon fibers (CF) or nanofibers (CNF), diamond particles, silicon (Si) wafer, alumina plate) and shapes (1D, 2D, 3D). The deposition process involves a phosphate reagent used to functionalize the substrates. Cu nanoparticles deposit precisely onto the functionalized sites of the substrate and can then be used to bond the matrix to reinforcements with weak chemical affinity, such as copper with carbon fibers or diamond particles, therefore avoiding the use of interlayers which might be detrimental to the assembly properties. From a broader perspective, we anticipate that the method described here could enable the deposition of particles of many materials (Cu, Mn, Ti, Ni) onto substrates of various shapes and dimensions, creating bonding layers between materials of low chemical affinity and making easier their assembly without degrading its properties.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Ex Situ Investigation of Anisotropic Interconnection in Silicon-Titanium-Nickel Alloy Anode Material

Herein we investigate the nanostructural evolution of Silicon-Titanium-Nickel (Si-Ti-Ni) ternary alloy material synthesized by melt spinning process for advanced lithium-ion battery anode. The synthesized material was found to have nano-Silicon particles dispersed in the Ti 4 Ni 4 Si 7 (STN) alloy buffering matrix and was characterized by X-ray diffraction (XRD), High resolution- transmission electron microscope (HR-TEM), Scanning transmission electron microscopes - energy dispersive X-ray spectrometer (STEM-EDS), and electrochemical performance test. The role of STN matrix is to accommodate the volume expansion stresses of the dispersed Si nanoparticles. However, an interesting behavior was observed during cycling. The Si nanoparticles were observed to form interconnection channels growing through the weak STN matrix cracks and evolving to a network isolating the STN matrix into small puddles. In conclusion, this unique nanostructural evolution of Si particles and isolation of the STN matrix failing to offer significant buffering effect to the grown Si network eventually accelerates more volume expansions during cycling due to less mechanical confinement and leads to performance degradation and poor cycle stability.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Antifoam Degradation Products in Off Gas and Condensate of Sludge Batch 9 Simulant Nitric-Formic Flowsheet Testing for the Defense Waste Processing Facility

Ten chemical processing cell (CPC) experiments were performed using simulant to evaluate Sludge Batch 9 for sludge-only and coupled processing using the nitric-formic flowsheet in the Defense Waste Processing Facility (DWPF). Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) cycles were performed on eight of the ten. The other two were SRAT cycles only. Samples of the condensate, sludge, and off gas were taken to monitor the chemistry of the CPC experiments. The Savannah River National Laboratory (SRNL) has previously shown antifoam decomposes to form flammable organic products, (hexamethyldisiloxane (HMDSO), trimethylsilanol (TMS), and propanal), that are present in the vapor phase and condensate of the CPC vessels. To minimize antifoam degradation product formation, a new antifoam addition strategy was implemented at SRNL and DWPF to add antifoam undiluted.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2013

Microstructure factor and mechanical and electronic properties of hydrogenated amorphous and nanocrystalline silicon thin-films for microelectromechanical systems applications

Thin-film silicon allows the fabrication of MEMS devices at low processing temperatures, compatible with monolithic integration in advanced electronic circuits, on large-area, low-cost, and flexible substrates. The most relevant thin-film properties for applications as MEMS structural layers are the deposition rate, electrical conductivity, and mechanical stress. In this work, n{sup +}-type doped hydrogenated amorphous and nanocrystalline silicon thin-films were deposited by RF-PECVD, and the influence of the hydrogen dilution in the reactive mixture, the RF-power coupled to the plasma, the substrate temperature, and the deposition pressure on the structural, electrical, and mechanical properties of the films was studied. Three different types of silicon films were identified, corresponding to three internal structures: (i) porous amorphous silicon, deposited at high rates and presenting tensile mechanical stress and low electrical conductivity, (ii) dense amorphous silicon, deposited at intermediate rates and presenting compressive mechanical stress and higher values of electrical conductivity, and (iii) nanocrystalline silicon, deposited at very low rates and presenting the highest compressive mechanical stress and electrical conductivity. These results show the combinations of electromechanical material properties available in silicon thin-films and thus allow the optimized selection of a thin silicon film for a given MEMS application. Four representative silicon thin-films were chosen to be used as structural material of electrostatically actuated MEMS microresonators fabricated by surface micromachining. The effect of the mechanical stress of the structural layer was observed to have a great impact on the device resonance frequency, quality factor, and actuation force.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Towards III-V solar cells on Si: Improvement in the crystalline quality of Ge-on-Si virtual substrates through low porosity porous silicon buffer layer and annealing

A comparison between the crystalline quality of Ge grown on bulk Si and on a low porosity porous Si (pSi) buffer layer using low energy plasma enhanced chemical vapor deposition is reported. Omega/2Theta coupled scans around the Ge and Si (004) diffraction peaks show a reduction of the Ge full-width at half maximum (FWHM) of 22.4% in presence of the pSi buffer layer, indicating it is effective in improving the epilayer crystalline quality. At the same time atomic force microscopy analysis shows an increase in root means square roughness for Ge grown on pSi from 38.5 nm to 48.0 nm, as a consequence of the larger surface roughness of pSi compared to bulk Si. The effect of 20 minutes vacuum annealing at 580°C is also investigated. The annealing leads to a FWHM reduction of 23% for Ge grown on Si and of 36.5% for Ge on pSi, resulting in a FWHM of 101 arcsec in the latter case. At the same time, the RMS roughness is reduced of 8.8% and of 46.5% for Ge grown on bulk Si and on pSi, respectively. The biggest improvement in the crystalline quality of Ge grown on pSi with respect to Ge grown on bulk Si observed after annealing is a consequence of the simultaneous reorganization of the Ge epilayer and the buffer layer driven by energy minimization. A low porosity buffer layer can thus be used for the growth of low defect density Ge on Si virtual substrates for the successive integration of III-V multijunction solar cells on Si. The suggested approach is simple and fast –thus allowing for high throughput-, moreover is cost effective and fully compatible with subsequent wafer processing. Finally it does not introduce new chemicals in the solar cell fabrication process and can be scaled to large area silicon wafers.

36 MATERIALS SCIENCE↗