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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 307 records · Page 17

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NASA NTRS1991

High performance etchant for thinning p(+)-InP and its application to p(+)n InP solar cell fabrication

An etchant, namely (o-H3PO4)u: (HNO3)v: (H2O2)t: (H2O)1-(u+v+t) is developed for thinning, after contacting, the p(+) emitter layer of p(+)n InP structures made by thermal diffusion. Varying u, v, and t, reproducible etch rates of 5 to 110 nm/min are obtained. After thinning the 0.6- to 2.5-micron thick p(+) InP layer down to 60-250 nm, specular surfaces are obtained at up to 80 nm/min etch rate. Due to its intrinsic qualities the resisual P-rich oxide after thinning the emitter layer provides surface passivation of p(+) InP surfaces and can also serve as a first-layer AR coating.

Faur, Maria↗

DOE OSTI2021

In Situ X-ray Measurements to Follow the Crystallization of BaTiO 3 Thin Films during RF-Magnetron Sputter Deposition

Here, we report on adding an important dimension to the fundamental understanding of the evolution of the thin film micro structure evolution. Thin films have gained broad attention in their applications for electro-optical devices, solar-cell technology, as well storage devices. Deep insights into fundamental functionalities can be realized via studying crystallization microstructure and formation processes of polycrystalline or epitaxial thin films. Besides the fundamental aspects, it is industrially important to minimize cost which intrinsically requires lower energy consumption at increasing performance which requires new approaches to thin film growth in general. Here, we present a state of the art sputtering technique that allows for time-resolved in situ studies of such thin film growth with a special focus on the crystallization via small angle scattering and X-ray diffraction. Focusing on the crystallization of the example material of BaTiO 3 , we demonstrate how a prototypical thin film forms and how detailed all phases of the structural evolution can be identified. The technique is shaped to enable a versatile approach for understanding and ultimately controlling a broad variety of growth processes, and more over it demonstrate how to in situ investigate the influence of single high temperature sputtering parameters on the film quality. It is shown that the whole evolution from nucleation, diffusion adsorption and grain growth to the crystallization can be observed during all stages of thin film growth as well as quantitatively as qualitatively. This can be used to optimize thin-film quality, efficiency and performance.

36 MATERIALS SCIENCE↗

NASA NTRS1986

1986 Annual Conference on Nuclear and Space Radiation Effects, 23rd, Providence, RI, July 21-23, 1986, Proceedings

The present conference on the effects of nuclear and space radiation on electronic hardware gives attention to topics in the basic mechanisms of radiation effects, dosimetry and energy-dependent effects, electronic device radiation hardness assurance, SOI/SOS radiation effects, spacecraft charging and space radiation, IC radiation effects and hardening, single-event upset (SEU) phenomena and hardening, and EMP/SGEMP/IEMP phenomena. Specific treatments encompass the generation of interface states by ionizing radiation in very thin MOS oxides, the microdosimetry of meson energy deposited on 1-micron sites in Si, total dose radiation and engineering studies, plasma interactions with biased concentrator solar cells, the transient imprint memory effect in MOS memories, mechanisms leading to SEU, and the vaporization and breakdown of thin columns of water.

Ellis, Thomas D.↗

DOE OSTI2022

Codesigning Alloy Compositions of CdSe y Te 1− y Absorbers and Mg x Zn 1− x O Contacts to Increase Solar Cell Efficiency

Thin‐film solar cells such as CdTe are a major commercial photovoltaic technology, with more than 25 GW installed worldwide and levelized costs of electricity competitive with fossil fuels. Further progress may result from integrating CdSe y Te 1− y absorbers with Mg x Zn 1− x O contacts, but the device efficiency is difficult to maximize due to coupled dependence on chemical composition of both alloys. Herein, a high‐throughput approach is demonstrated to codesign chemical compositions in alloyed Mg x Zn 1− x O/CdSe y Te 1− y thin‐film solar cells, using combinatorial libraries of PV devices with orthogonal composition gradients in CdSe y Te 1− y absorbers and Mg x Zn 1− x O contacts. It is found that the solar cell performance is a strong and coupled function of both elemental compositions, with efficiency up to 17.7% ( V OC = 836 mV, fill factor = 69%, J SC = 30.6 mA cm −2 ) at atomic compositions of Mg/(Mg + Zn) ≈18% and average Se/(Se + Te) ≈4%. These performance trends among >100 devices are explained by >100 ns lifetime of photoexcited charge carriers at the Mg x Zn 1− x O/CdSe y Te 1− y interface where strong Se accumulation is also observed. This study reports the optimal compositions of the commercially relevant Mg x Zn 1− x O/CdSe y Te 1− y solar cells and demonstrates a general approach to codesigning performance of alloyed thin‐film solar cells and other optoelectronic devices.

14 SOLAR ENERGY↗

DOE OSTI2021

Hard x-ray methods for studying the structure of amorphous thin films and bulk glassy oxides

High-energy photon diffraction minimizes many of the corrections associated with laboratory x-ray diffractometers, and enables structure factor measurements to be made over a wide range of momentum transfers. The method edges us closer toward an ideal experiment, in which coordination numbers can be extracted without knowledge of the sample density. Three case studies are presented that demonstrate new hard x-ray methods for studying the structure of glassy and amorphous materials. First, the methodology and analysis of high-energy grazing incidence on thin films is discussed for the case of amorphous In 2 O 3 . Additionally, the connectivity of irregular InO 6 polyhedra are shown to exist in face-, edge- and corner-shared configurations in the approximate ratio of 1:2:3. Secondly, the technique of high-energy small and wide angle scattering has been carried out on laser heated and aerodynamically levitated samples of silica-rich barium silicate (20BaO:80SiO 2 ), from the single phase melt at 1500 C-o to the phase separated glass at room temperature. Based on Ba-O coordination numbers of 6 to 7, it is argued that the although the potential of Ba is ionic, it is weak enough to cause the liquid-liquid immiscibility to become metastable. Lastly, high-energy small and wide angle scattering has also been applied to high water content (up to 12 wt.%) samples of hydrous SiO 2 glass quenched from 1500 C-o at 4 GPa. An increase of Si 1 O 2 correlations at 4.3 angstrom is found to be consistent with an increase in the population of three-membered SiO 4 rings at the expense of larger rings.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

Electrodeposited Aluminum Oxide as Alternative to Conventional Pretreatments

Iron and zinc phosphate pretreatments are still heavily used in both the oil & gas and automotive industries as adhesion promoters for paints and E-coat systems. These solutions are known to generate hazardous sludges and rinse water which must be periodically disposed of, a problem made worse by the increasing desire for aluminum alloy incorporation in vehicles. This presentation will introduce novel electrodeposited aluminum oxide pretreatments as a sustainable alternative to phosphates. The aluminum oxide coatings improve corrosion resistance and paint adhesion, generate no hazardous waste streams, are cost-effective, and can be applied to any metal surface. This new type of surface pretreatment can conform to TT-C-490 Type IV and VI for Military applications on both ferrous and non-ferrous surfaces as well as automotive specifications for equivalent civilian markets. The thin aluminum oxide treatment also supports the development of lightweight coatings systems for automotive and aerospace applications without sacrificing performance and is a perfect complement to the E-coating process. Since aluminum oxide uses a chemical binding mechanism for paints, the surface can even be modified to offer excellent paint adhesion and corrosion resistance directly to top-coats without the need for primer. This opens a pathway to fewer coating steps for simplified paint application and lightweight, next-generation coatings systems.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Active site identification and CO oxidation in UiO-66-XX thin films

Metal-organic frameworks (MOFs) offer an intrinsically porous and chemically tunable platform for gas adsorption, separation, and catalysis. Herein we investigate thin film derivatives of the well-studied Zr–O based MOF powders to understand their adsorption properties and reactivity with their adaption to thin films, involving diverse functionality with the incorporation of different linker groups and the inclusion of embedded metal nanoparticles: UiO-66, UiO-66-NH 2 , and Pt@UiO-66-NH 2 . Using transflectance IR spectroscopy, we determine the active sites in each film upon consideration of the acid-base properties of the adsorption sites and guest species, and perform metal-based catalysis with CO oxidation of a Pt@UiO-66-NH 2 film. Our study shows how surface science characterization techniques can be used to characterize the reactivity and the chemical and electronic structure of MOFs.

36 MATERIALS SCIENCE↗

DOE OSTI2023

A clean ballistic quantum point contact in strontium titanate

The perovskite oxide strontium titanate (SrTiO 3 ) combines electrostatic tunability, superconductivity and spin–orbit coupling, and is of potential use in the development of quantum devices. However, exploring quantum effects in SrTiO 3 nanostructures is challenging because of the presence of disorder. Here, in this work, we report high-mobility, gate-tunable devices in SrTiO 3 that have ballistic constrictions and clean normal-state conductance quantization. Our devices are based on SrTiO 3 two-dimensional electron gas channels that have a thin hafnium oxide barrier layer between the channel and an ionic liquid gate. Conductance plateaus show twofold degeneracy that persists for magnetic fields of at least 5 T. This is above what is expected from the g factors extracted at high fields and could be a signature of electron pairing extending outside the superconducting regime.

36 MATERIALS SCIENCE↗

NASA NTRS2012

Indium Tin Oxide Resistor-Based Nitric Oxide Microsensors

A sensitive resistor-based NO microsensor, with a wide detection range and a low detection limit, has been developed. Semiconductor microfabrication techniques were used to create a sensor that has a simple, robust structure with a sensing area of 1.10 ~ 0.99 mm. A Pt interdigitated structure was used for the electrodes to maximize the sensor signal output. N-type semiconductor indium tin oxide (ITO) thin film was sputter-deposited as a sensing material on the electrode surface, and between the electrode fingers. Alumina substrate (250 m in thickness) was sequentially used for sensor fabrication. The resulting sensor was tested by applying a voltage across the two electrodes and measuring the resulting current. The sensor was tested at different concentrations of NO-containing gas at a range of temperatures. Preliminary results showed that the sensor had a relatively high sensitivity to NO at 450 C and 1 V. NO concentrations from ppm to ppb ranges were detected with the low limit of near 159 ppb. Lower NO concentrations are being tested. Two sensing mechanisms were involved in the NO gas detection at ppm level: adsorption and oxidation reactions, whereas at ppb level of NO, only one sensing mechanism of adsorption was involved. The NO microsensor has the advantages of high sensitivity, small size, simple batch fabrication, high sensor yield, low cost, and low power consumption due to its microsize. The resistor-based thin-film sensor is meant for detection of low concentrations of NO gas, mainly in the ppb or lower range, and is being developed concurrently with other sensor technology for multispecies detection. This development demonstrates that ITO is a sensitive sensing material for NO detection. It also provides crucial information for future selection of nanostructured and nanosized NO sensing materials, which are expected to be more sensitive and to consume less power.

Xu, Jennifer C.↗

DOE OSTI2025

From Data to Discovery: AI's Transformative Role in Thin Film Research

The advancement of thin film technologies is pivotal for progress in numerous fields, including energy, electronics, and quantum computing. However, the traditional trial-and-error approach to materials discovery is inherently slow and inefficient. This presentation will showcase how artificial intelligence (AI) is transforming thin film research by enabling a data-driven paradigm shift. We will highlight our past successes in applying AI to understand radiation damage in thin film oxides, demonstrating how graph analytics can unravel complex material behavior. Additionally, we will provide insights into our current work at the National Renewable Energy Laboratory, where we are leading the charge in autonomous materials science. Backed by a $14M investment in our characterization facility, we are developing AI-guided workflows that seamlessly integrate experimentation and AI-guided decision-making. By harnessing the power of AI, we aim to accelerate the discovery and design of high-performance thin films, propelling innovation across a multitude of industries.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Atomic-Scale Behavior of Radiation-Resistant ZnO under High-Energy Electron Bombardment

Understanding the atomic structure and defect characteristics of ZnO thin films is crucial for optimizing their electronic properties and performance in advanced applications. Here, we investigate the atomic structure and defect characteristics of atomic layer deposition (ALD)-grown ZnO thin films by using aberration-corrected scanning transmission electron microscopy (STEM). Atomic-resolution imaging identifies prevalent stacking faults, dipole disorder, and various grain boundary types, which are believed to influence the electronic properties of ZnO. Additionally, real-time electron beam exposure experiments demonstrate structural transformations, including crystal growth and surface rearrangements. These findings provide insights into the growth mechanisms of ALD ZnO under high-energy electron irradiation conditions, an important finding for the use of polycrystalline ZnO wide bandgap semiconductors in space-like conditions. In conclusion, our results underscore the capability of STEM in directly visualizing and quantifying atomic-scale defects and beam-induced transformations in radiation-resistant ZnO.

Defects↗

NASA NTRS1984

High temperature thermocouple and heat flux gauge using a unique thin film-hardware hot juncture

A special thin film-hardware material thermocouple (TC) and heat flux gauge concept for a reasonably high temperature and high flux flat plate heat transfer experiment was fabricated and tested to gauge temperatures of 911 K. This concept was developed for minimal disturbance of boundary layer temperature and flow over the plates and minimal disturbance of heat flux through the plates. Comparison of special heat flux gauge Stanton number output at steady-state conditions with benchmark literature data was good and agreement was within a calculated uncertainty of the measurement system. Also, good agreement of special TC and standard TC outputs was obtained and the results are encouraging. Oxidation of thin film thermoelements was a primary failure mode after about 5 of operation.

Liebert, C. H.↗

NASA NTRS1985

High-temperature thermocouple and heat flux gauge using a unique thin film-hardware hot junction

Liebert, C. H.↗

DOE OSTI2020

Atomic layer deposition of HfO 2 films using carbon-free tetrakis(tetrahydroborato)hafnium and water

Thin hafnium oxide films were prepared by atomic layer deposition using a carbon-free precursor, tetrakis(tetrahydroborato)hafnium [Hf(BH 4 )( 4 )], and H 2 O. Film growth was studied using an in situ quartz crystal microbalance and Fourier transform infrared spectroscopy measurements. Self-limiting growth was observed between 100 and 175 degrees C, but the thermal decomposition of the Hf precursor occurred at higher temperatures. The film properties were investigated using x-ray photoelectron spectroscopy, x-ray reflectivity, x-ray diffraction, ellipsometry, time-of-flight secondary ion mass spectrometry, and x-ray absorption spectroscopy. The as-deposited films were found to consist of an amorphous mixture of HfO 2 and B 2 O 3 , and had a lower density and lower refractive index compared to pure HfO 2 thin films. Finally, annealing the films to >750 degrees C yielded crystalline monoclinic HfO 2 with a density of 9g/cm 3 and a refractive index of 2.10.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Direct Evidence for Buffer-Enhanced Proton-Coupled Electron Transfer Generation of a High-Valent Metal-Oxo Complex

Here, the oxidation of metal-aquo and -hydroxo complexes to generate the high-valent metal-oxo species used in oxidative catalysis is often kinetically slow due to sluggish proton transfer between ligated −H 2 O/–OH in the proton-coupled electron transfer (PCET) chemistry. In this research, a ruthenium water oxidation catalyst anchored to a conductive tin-doped indium oxide (ITO) thin film, abbreviated ITO|Ru II –OH 2 , was characterized by spectroscopic and electrochemical methods in acetate or phosphate buffers. The deprotonated intermediate, Ru II –OH, was observed spectroscopically in the PCET half-reaction ITO(e – )|Ru III –OH + H + → ITO|Ru II –OH 2 indicating an underlying stepwise ET-PT mechanism. In contrast, at elevated buffer concentrations, this intermediate was absent, and a 2–4 order of magnitude increase in the proton transfer rate constant was observed. Kinetic data for this PCET reaction measured as a function of the driving force provided the reorganization energy λ = 1.05 eV and was assigned to a concerted electron–proton transfer (EPT) mechanism. In addition, the standard heterogeneous rate constants for two PCET equilibria, Ru III –OH + H + + e – ⇌ Ru II –OH 2 and Ru IV = O + H + + e – ⇌ Ru III –OH were enhanced by these same buffers. Collectively, the data show that the added buffers can enhance the kinetics and thermodynamics for PCET reactions relevant to oxidative catalysis.

Catalysts↗

DOE OSTI2022

Effect of lattice strain on magnetism in epitaxial YCrO 3 films

The influence of lattice strain on magnetism is studied for perovskite rare-earth chromite, YCrO 3 (YCO) thin films. A combined theoretical and experimental approach is used to demonstrate the correlation between lattice-strain and magnetic properties of YCO films. The first-principles calculations reveal that the local Cr magnetic moments and the out-of-plane magnetization linearly increase with changing the in-plane lattice strain from compressive to tensile. The experimental results agree with the theory findings showing a strong dependence of magnetization on epitaxial strain in YCO films. These results unveil the lattice-strain-controlled functionalities on perovskite rare-earth chromites and related material systems.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Stable Solid Electrolyte Interphase Layer Formed by Electrochemical Pretreatment of Gel Polymer Coating on Li Metal Anode for Lithium–Oxygen Batteries

Lithium (Li)-oxygen (O2) batteries (LOBs) exhibit the highest theoretical specific energy density among candidates of the next-generation energy storage systems, but the instability of Li metal anode (LMA), air electrode, and electrolyte largely limit the practical energy density of these batteries. Herein, we report an effective method to protect LMA against side reactions between LMA and crossover contaminants such as highly reactive oxygen moieties. A solid electrolyte interphase (SEI) layer rich in inorganic components was formed on a LMA coated with polyethylene oxide thin-film through an in-situ electrochemical pre-charging step under oxygen atmosphere. This uniformly distributed stiff SEI layer interacted with flexible polymer matrix and formed a submicron-sized gel-like polymer layer. This polymer supported SEI layer leads to much longer cycle life (130 vs. 65 cycles) as compared to those of pristine cell under the same testing conditions (1.0 mAh cm-2 at 0.2 mA cm-2 in the voltage range of 2 to 5 V without any catalysts). It is also very effective during low voltage (2 to 4.5 V) cycling with a redox mediator (0.1 and 0.15M (2,2,6,6-tetramethylpiperidin-1-yl) oxidanyl). Therefore, this approach can be used to stabilize LMA/electrolytes interphase and improve the cycle life of rechargeable LOBs.

lithium-oxygen batteries, lithium metal anodes, ar↗

DOE OSTI2020

Ultra-thin passivation layers in Cu(In,Ga)Se 2 thin-film solar cells: full-area passivated front contacts and their impact on bulk doping

In the search for highly transparent and non-toxic alternative front layers replacing state-of-the-art CdS in Cu(In,Ga)Se 2 thin-film solar cells, alternatives rarely exceed reference devices in terms of efficiency. Full-area ultra-thin aluminium oxide tunnelling layers do not require any contact patterning and thus overcome the main drawback of insulating passivation layers. Even a few monolayers of aluminium oxide can be deposited in a controlled manner by atomic layer deposition, they show excellent interface passivation properties, low absorption, and suitable current transport characteristics on test devices. Depositing a ZnO-based transparent front contact, however, results in extremely poor solar cell performance. The issue is not necessarily a low quality of the alternative front layer, but rather the intricate relation between front layer processing and electronic bulk properties in the absorber layer. We identify three challenges critical for the development of novel front passivation approaches:(i) both Cd and Zn impurities beneficially reduce the high native net dopant concentration in the space charge region, (ii) sputter deposition of ZnO damages the passivation layer resulting in increased interface recombination, (iii) thermal treatments of devices with ZnO layer result in substantial Zn diffusion, which can penetrate the full absorber thickness already at moderate temperatures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗