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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
NASA NTRS1997

Doping Scheme in Atomic Chain Electronics

Due to the dramatic reduction in MOS size, there appear many unwanted effects. In these small devices, the number of dopant atoms in the channel is not macroscopic and electrons may suffer significantly different scattering from device to device since the spatial distribution of dopant atoms is no longer regarded as continuous. This prohibits integration, while it is impossible to control such dopant positions within atomic scale. A fundamental solution is to create electronics with simple but atomically precise structures, which could be fabricated with recent atom manipulation technology. All the constituent atoms are placed as planned, and then the device characteristics are deviation-free, which is mandatory for integration. Atomic chain electronics belongs to this category. Foreign atom chains or arrays form devices, and they are placed on the atomically flat substrate surface. We can design the band structure and the resultant Fermi energy of these structures by manipulating the lattice constant. Using the tight-binding theory with universal parameters, it has been predicted that isolated Si chains and arrays are metallic, Mg chains are insulating, and Mg arrays have metallic and insulating phases [1]. The transport properties along a metallic chain have been studied, emphasizing the role of the contact to electrodes [2]. For electronic applications, it is essential to establish a method to dope a semiconducting chain, which is to control the Fermi energy position without altering the original band structure. If we replace some of the chain atoms with dopant atoms randomly, the electrons will see random potential along die chain and will be localized strongly in space (Anderson localization). However, if we replace periodically, although the electrons can spread over the chain, there will generally appear new bands and band gaps reflecting the new periodicity of dopant atoms. This will change the original band structure significantly. In order to overcome this dilemma, we may place a dopant atom beside the chain at every N lattice periods (N > 1). Because of the periodic arrangement of pant atoms, we can avoid the unwanted Anderson localization. Moreover, since the dopant atoms do not constitute the chain, the overlap interaction between them is minimized, and the band structure modification can be made smallest. Some tight-binding results will be discussed to demonstrate the present idea.

Toshishige, Yamada↗
DOE OSTI2021

Sr and Co Vapor-Phase Transport from LSCF Cathodes

A series of tests were performed to differentiate between surface diffusion and vapor-phase diffusion of chemical species from LSCF cathode material at typical sintering temperatures (up to 1100°C) in SOFC production. A GDC source substrate was printed with LSCF and separated by an air gap from a YSZ target substrate. Various geometries with long surface paths were employed to reduce the possibility of surface transport. Sr and Co were detected on the target substrates via energy dispersive spectroscopy (EDS) and x-ray photoelectron spectroscopy (XPS), including spatially resolved XPS. These results support a vapor-phase transport mechanism for Sr and Co. Sintering conditions and barrier layer requirements may need to be revisited to prevent the formation of undesired strontium zirconate at cathode/electrolyte interface due to vapor-phase transport.

vapor phase transport, SOFC cathode, Sr transport↗
DOE OSTI2024

Planarizing Spalled GaAs(100) Surfaces by MOVPE Growth

III-V photovoltaic devices have demonstrated exceptional performance across various applications, with controlled crystal fracturing, known as controlled spalling, emerging as a promising method to reduce costs by enabling substrate reuse. Spalling GaAs(100) substrates, a commonly used substrate in III-V photovoltaics, results in faceted ridges that must be planarized to grow high-quality photovoltaic devices. Here, in this study, we demonstrate that a GaAs(100) wafer offcut toward [$0\bar{11}$] and spalled toward [$011$] can be efficiently planarized by growing C:GaAs by metal-organic vapor phase epitaxy (MOVPE) on the surface, with up to 95% of the nominally deposited material used to fill the valleys between ridges. We find that reducing the offcut to 2° enhances the planarizing capability of C:GaAs. A surface morphology model indicates that the density of surface dangling bonds significantly influences the growth evolution of undoped GaAs surfaces. In contrast, the model suggests that the effectiveness of C:GaAs as a smoothing layer stems from modifying the atomic surface structure and, consequently, the associated sticking coefficients of the facets, which can alter the evolution of surface morphology. Our findings provide guidelines for the epitaxial planarization of semiconductor surfaces and improve the understanding of MOVPE growth on nonplanar surfaces.

14 SOLAR ENERGY↗
DOE OSTI2020

Surface immobilized copper(i) diimine photosensitizers as molecular probes for elucidating the effects of confinement at interfaces for solar energy conversion

Heteroleptic copper(I) bis(phenanthroline) complexes with surface anchoring carboxylate groups have been synthesized and immobilized on nanoporous metal oxide substrates. The species investigated are responsive to the external environment and this work provides a new strategy to control charge transfer processes for efficient solar energy conversion.

14 SOLAR ENERGY↗
NASA NTRS1999

High Temperature Solar Reflector, Its Preparation and Use

A coating-substrate combination having high specular reflectivity at high temperatures reaching 8000 C in a vacuum is described. The substrate comprises pure nickel metal or a nickel-containing metal alloy such as stainless steel having a highly polished reflective surface. The coating is a layer of silver deposited on the substrate to a thickness of 300 A to 3000 A. A 300 A to 5000 A protective coating of silica, alumina or magnesium fluoride is used to cover the silver and to protect it from oxidation. The combination is useful as a parabolic shaped secondary concentrator for collecting solar radiation for generating power or thermal energy for satellite uses. The reflective layer and protective coating preferably are applied to the reflective surface of the substrate by electron beam evaporation or by ion sputtering.

Jaworske, Donald A.↗
DOE OSTI2024

Commissioning of a modulated pulse-power magnetron sputtering system for depositing niobium thin films

A modulated pulse-power magnetron sputtering system (MPPMS) was commissioned and used to deposit niobium on copper. MPPMS utilizes a modulated pulse train with high peak-to-average energy ratios, thereby increasing the energy density leading to the production of the energetic ions. The MPPMS modulator was designed and constructed based on large voltage/current IGBT modules, which can be externally modulated, produce bi-polar waveforms, and are readily available. A high voltage power supply provides moderate current to the IGBT module to create the precise pulse structure. The MPPMS system was used to deposit ~1 mm thick, niobium film on a copper substrate held at ~77 K to minimize Nb atom surface diffusion and maximize intrinsic film energy. Finally, the Nb film had an average grain size of ~8 nm.

42 ENGINEERING↗
NASA NTRS2018

Passive Thermal Management Systems Employing Shape Memory Alloys

A thermal management system includes a first substrate having a first conductive inner surface. A second substrate has a second conductive inner surface. A connecting structure is attached to the first and second substrates to space apart the first and second inner surfaces defining an insulating space for a single architecture. One or more passively-acting elements are attached to the inner surface of at least one substrate and including a shape memory material such as a shape memory alloy (SMA). The SMA passively reacts to the temperature of the first substrate by thermally contacting or separating from the second inner surface of the second substrate for the control of the conduction of heat energy in either direction.

Trigwell, Steven↗
DOE OSTI2020

Density functionals combined with van der Waals corrections for graphene adsorbed on layered materials

Standard density functionals like Perdew-Burke-Ernzerhof (PBE) or Strongly Constrained and Appropriately Normed (SCAN) need a correction to account for long-range van der Waals (vdW) interaction. The damped Zaremba-Kohn model (dZK) starts from a formula for the vdW interaction of a distant atom with a solid surface, both with known dielectric properties, damps this formula at short range, and then treats an adsorbed molecule or atomic layer as a collection of renormalized atoms. Here, we extend this model to graphene adsorbed on semiconducting layered materials [bulk graphite and hBN, and multilayer transition metal dichalcogenides (TMD)] by including the C 4 asymptotic term and multiple electrostatic image effects due to the two surfaces of the substrate slabs in the vdW calculations. The resulting SCAN-vdW-dZK and PBE-vdW-dZK give approximately the same results for the systems considered here, in agreement with available reference values. The predicted binding energies are roughly 25% lower than those from SCAN+rVV10 (revised Vydrov and Van Voorhis 2010), and ~15% lower than those from PBE+rVV10. Since SCAN+rVV10 usually overbinds, the predicted binding energies by SCAN-vdW-dZK and PBE-vdW-dZK are expected to be closer to the true values. The predicted equilibrium binding distances from SCAN-vdW-dZK and PBE-vdW-dZK are slightly larger (~ 0.1 Å) than those from SCAN+rVV10, and close to those from SCAN. The binding energy depends upon the number of substrate layers more strongly in vdW-dZK than in rVV10. The C 4 -term contributions can be 40% of the total vdW interactions, and the C 5 term contributes about 10%. The effects of images and the back surfaces of slabs can contribute about 4–10%. The vdW interaction energy power laws from the vdW-dZK model for graphene adsorbed on multilayer MoS 2 show slowly varying decay to the pairwise exponent –4 with increasing separation $\textit{D}$, very similar to those obtained from the random-phase approximation and renormalization group approaches by Ambrosetti et al. Both the PBE-vdW-dZK and SCAN-vdW-dZK give a greater increase in interlayer binding energy when the TMD substrate changes from monolayer to four-layer for the graphene/TMD adsorption systems. This is consistent with the relevant electron-energy-loss spectroscopy experimental results showing increased dielectric response from the substrate with increasing substrate layer number.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Ionic Liquid Functionalizes the Metal Organic Framework for Microwave-Assisted Direct Air Capture of CO 2

Sorbents for direct air capture (DAC) of CO 2 typically employ a chemisorbing material that requires regeneration at elevated temperatures, which is an energy-intensive step. Here, we developed composites of metal organic framework (MOF) with a functional ionic liquid (IL) at 5, 20, and 35 wt % loading, capable of CO 2 chemisorption and regeneration by moisture-swing coupled microwave (MW) irradiation. In dynamic breakthrough measurements, CO 2 from synthetic air (500 ppm of CO 2 ) was selectively absorbed (0.5 mmol/g at 30 °C) and then rapidly released (2–4 min) by dielectric heating at 60 °C. The developed IL/MOF composites demonstrate (1) targeted energy transfer to the IL domains where CO 2 is released due to dielectric heating upon MW irradiation and (2) a fast desorption rate due to large surface area offered by the MOF architecture. Furthermore, this study establishes carbon capture through surface enhancement of a porous substrate with ILs for future DAC processes that can be powered by sustainable energy sources.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Laser-stimulated photodetachment of electrons from the negatively charged dielectric substrates

The photon-stimulated emission of bulk electrons has been extensively studied for various types of materials, while the photodetachment of surplus surface electrons has not been fully explored. The photodetachment barrier energy is commonly defined by the surface electron affinity of material, which is typically less than the work function and more pronounced for non-conducting substrates and in environments with a continuous flux of electrons to the surface, such as in gas discharge plasmas. Herein, it is experimentally shown that the photodetachment yield of surplus electrons created by plasma-induced charging of non-conductive surfaces of dielectric materials depends on the initial surface charge density and do not correlate with the tabulated affinity values of these materials under gas discharge charging conditions. In cocnclusion, this result obtained using laser-stimulated photodetachment for fused silica, boron nitride, and alumina, is critically important for the understanding of charging and discharging dynamics, secondary electron emission, and photo emission effects affecting plasma–wall interactions relevant to surface and capacitively coupled discharges, dusty plasmas, electrostatic probe diagnostics, and applications for plasma processing of materials, plasma propulsion, and gas breakdown.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Temperature effects on cobalt hydroxide–cobalt carbonate competitive growth on carbonate surfaces

Cobalt (Co), a critical metal essential for various environmental and industrial processes, undergoes speciation and immobilization in natural systems, primarily interacting with existing mineral surfaces. Understanding the underlying mechanisms of Co immobilization on abundant carbonate surfaces under different environmental conditions is critical for predicting Co mobility, availability, and recovery. In this study, we investigated the temperature-dependent competition between CoCO 3 and Co(OH) 2 formation on calcite (CaCO 3 ) and magnesite (MgCO 3 ) surfaces. Using X-ray photoelectron spectroscopy (XPS), scanning electron microscopy (SEM), and energy-dispersive X-ray spectroscopy (EDS), we analyzed carbonate substrates exposed to CoCl 2 solutions at varying concentrations (0–500 μM) and temperatures (22, 50, and 80 °C). Magnesite surfaces promoted CoCO 3 formation due to its low lattice mismatch with sphaerocobaltite (CoCO 3 ). However, this slow-growing CoCO 3 component was progressively outcompeted by Co(OH) 2 formation as the temperature and/or initial Co concentration increased. On calcite surfaces, the poor lattice mismatch between calcite and sphaerocobaltite led to Co(OH) 2 outcompeting CoCO 3 formation at all three temperatures. These findings provide critical insights into the roles of substrate composition, solution chemistry, and temperature in controlling Co speciation and mobility. They carry important implications for environmental transport, geochemical cycling, and industrial recovery of cobalt in carbonate-rich systems.

Calcite↗
DOE OSTI2025

The Surface Chemistry of Methanol on Cu 3 Pd(111): Effects of Metal Alloying and Reaction with Hydrogen

Synchrotron-based ambient-pressure X-ray photoelectron spectroscopy (AP-XPS) was used to study the adsorption and surface chemistry of methanol on a Cu 3 Pd(111) model surface. The composition and morphological properties of the pristine Cu 3 Pd(111) substrate were analyzed using a combination of low-energy electron diffraction (LEED), scanning tunneling microscopy (STM), and low-energy ion scattering (LEIS). The results of ion scattering showed segregation of Pd toward the surface, with a Pd/Cu ratio close to 0.5, a larger value than the ratio of 0.33 expected for a Cu 3 Pd bimetallic structure. The surface of the alloy exhibited a good LEED pattern with three-fold long-range periodicities. In STM, clusters of palladium with hexagonal arrays and Pd- Pd distances of 2.7-2.8 Å were detected. Bonding to copper perturbed the electronic properties of the atoms in the Pd clusters, shifting their 4d states toward higher binding energy with respect to the Fermi level. Further, the valence band spectrum of Cu 3 Pd(111) exhibited a line shape that was very different from those displayed by Cu(111) or Pd(111). At low pressures, the adsorption of methanol on Cu 3 Pd(111) at 300 K mainly produced CH 3 O, CO and CH x species. AP-XPS showed that most Pd atoms in the surface of the Cu 3 Pd(111) alloy interacted with the decomposition products of methanol. No significant changes were observed in the core levels of copper upon the adsorption and dissociation of methanol, suggesting that the molecule mainly interacted with Pd sites of the alloy. Reaction with hydrogen led to fast removal of CH x , C and PdC x species from Cu 3 Pd(111) at moderate (< 450 K) temperatures and prevented a CH x → C transformation. If the stability of adsorbed CH 3 O is used as a descriptor for the hydrogenation of CO 2 to methanol, Cu 3 Pd should be a much better catalyst than monometallic palladium. This may be a consequence of electronic and ensemble effects in the alloy that moderate the reactivity of Pd sites.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

High-Bandwidth Low-Inductance Current Shunt for Wide-Bandgap Devices Dynamic Characterization

High bandwidth sensors are required to measure the wide-bandgap devices' transient behavior because of their fast switching speed. In addition to high bandwidth, the current sensor must introduce little extra parasitic inductance to the switching power loop. The analysis of conventional shunt resistors shows the key to high bandwidth is the coaxial structure and its parasitic inductance is proportional to its transient heat energy rating. Additionally, by combining the structure of coaxial shunt resistor and alumina substrate surface mount thin film resistors, a novel surface mount coaxial shunt resistor is introduced. Experimental measurement verifies its capability of achieving very high bandwidth while introducing very low parasitic inductance. The design can achieve up to 2.23-GHz measurement bandwidth while keeping its parasitic inductance as low as 0.12 nH. Application in gallium nitride heterojunction-field-effect-transistors double pulse test shows it can faithfully capture the transient current waveform while introducing little interference to the switching behavior.

42 ENGINEERING↗
NASA NTRS1981

Electron beam induced damage in ITO coated Kapton

Data for the stability of thin conductive indium tin oxide films on 0.003 inch thick Kapton substrates during exposure of the surface to electron beams are reported. The electron beam energy was 3 keV and the diameter was about 0.8 mm. Thermal effects and surface modifications are considered. For primary current greater than 0.6 microamperes, an obvious dark discoloration with diameter approximately that of the beam was produced. The structure of the discolored region was studied with the scanning electron microscope, and the findings are stated. Surface modifications were explored by AES, obtaining spectra and secondary emission coefficient as a function of time for different beam intensities. In all cases beam exposure results in a decrease of the secondary yield but because of thermal effects this change, as well as composition changes, cannot be directly interpreted in terms of electron beam dosage.

Krainsky, I.↗
DOE OSTI2023

Advanced Anti-Fouling Coatings to Improve the Efficiency of Coal Power Plants

As the total cost of carbon to generate energy has become a global concern, operators are increasingly looking at all parts of the generation cycle to find areas where efficiency gains may be found. It has been long identified that fouling of heat exchangers is a persistent cause of up to 2.5% of global CO 2 emissions. Unfortunately, practice has also demonstrated that unless a powerful economic driver exists to encourage preemptive mitigation of fouling, there will always be a strong tendency for operators to minimize any form of intervention due to high costs and challenges in scheduling downtime. The objective of this proposed research effort was to demonstrate how existing power plants could lower their carbon emissions and significantly improve heat transfer efficiency using new surface treatment materials to control fouling in a variety of heat exchange equipment. The surface treatment material which was optimized and deployed in this effort is now known commercially as HeatX. It is a low-surface energy, water- and oil-repellent, abrasion resistant material which can be applied in-situ to a wide variety of previously worn/used/in-service substrates. Once applied, it provides a barrier against corrosion, scale deposit formation, and biofilm adhesion on the circulating water-containing tube-side. Alternatively, if applied to the tube exterior, the non-wetting nature of the surface was demonstrated to promote dropwise condensation, subsequently lowering condenser backpressure and increasing overall plant efficiency. As part of this cooperative effort, the Department of Energy’s support was crucial to de-risk and demonstrate the concept of HeatX, while validating both the performance and economic benefit in multiple pilot field studies. The HeatX material properties were optimized in this effort for full field applicability to heat exchangers and condensers, and Oceanit developed the necessary procedures and protocols to provide enough material to support extended length, multi-year demonstrations in the power generation, desalination, and refining industries, making this technology broadly applicable and ready for commercial transition. Field deployment case studies at thermal power plants have shown that the HeatX treatment can provide economic savings of up to $15,000 per day for an operator based on avoiding maintenance costs and lowering fuel usage. The complete mitigation of fouling effects can increase the efficiency of equipment by up to 7%, in a field where gains of 0.5% are generally seen as operationally significant. The HeatX treatment has also demonstrated exceptional lifetime and compatibility with a wide variety of seawater and hydrocarbon environments, further increasing both the return on investment and the effective emission reduction. Such efficiency improvements correlate to massive carbon savings. For every 1 GW of capacity, operators can see carbon emissions reductions of 300,000 tons of CO 2 per year. When looking at the bigger picture, improved condenser function across the U.S. has the potential to prevent 221.3 million tons of CO 2 emissions, equivalent to the sequestration capacity of 129 million acres of forest. If applied on a global scale, 1.26 billion metric tons of CO 2 could be averted from the atmosphere, the same amount of carbon sequestrated by 1.5 billion acres of forest annually or 262,000 wind turbines operating annually. As businesses across multiple industries take a more active role in focusing on environmental, social, and governance (ESG) solutions as part of their core business operations, HeatX will be an attractive technology for commercial investment.

01 COAL, LIGNITE, AND PEAT↗
NASA NTRS2000

Substrate Preparations in Epitaxial ZnO Film Growth

Epitaxial ZnO films were grown on the two polar surfaces (O-face and Zn-face) of (0001) ZnO single crystal substrates using off-axis magnetron sputtering deposition. Annealing-temperature dependence of ZnO substrates was studied. ZnO films grown on sapphire substrates have also been investigated for comparison purposes and the annealing temperature of A1203 substrates is 1000 C. Substrates and films were characterized using photoluminescence (PL) spectrum, x-ray diffraction, atomic force microscope, energy dispersive spectrum, and electric transport measurements. It has been found that the ZnO film properties were different when films were grown on the two polarity surfaces of ZnO substrates and the A1203 substrates. An interesting result shows that high temperature annealing of ZnO single crystals will improve the surface structure on the O-face surface rather than the opposite surface. The measurements of homoepitaxial ZnO films indicate that the O-terminated surface is better for ZnO epitaxial film growth.

Zhu, Shen↗