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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 505 records · Page 28
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Atomic layer deposition of energy band tunable tin germanium oxide electron transport layer for the SnS-based solar cells with 400 mV open-circuit voltage

Tin germanium oxide, (Sn,Ge)O 2 , films were prepared using atomic layer deposition and tailored to a SnS absorber layer by incorporating various amounts of germanium into tin oxide to adjust band alignments at the interfaces of SnS/(Sn,Ge)O 2 photovoltaic devices. Carrier concentrations of (Sn,Ge)O 2 were suppressed from 10 20 to 10 18 cm -3 with germanium incorporation, with nitrogen doping further reducing carrier concentrations by another order of magnitude. Excellent tunability of both band energy levels and carrier concentrations of (Sn,Ge)O 2 allowed optimizing SnS-based solar cells. SnS/(Sn,Ge)O 2 :N devices were demonstrated, with an open-circuit voltage as high as 400 mV, due to the effective mitigation of interfacial recombination of photogenerated carriers at the SnS/(Sn,Ge)O 2 :N absorber-buffer heterojunction interface.

Sulfur compounds↗
DOE OSTI2014

Focusing of dipole radiation by a negative index chiral layer. 2. A thin layer as compared with the wavelength

Using the quasi-static approximation we have found exact analytical solutions to the problem of the field of a point electromagnetic source in the presence of a layer of a bi-isotropic (chiral) metamaterial. At some parameters of the problem, the resulting solution can be represented as a set of several point sources (electric and magnetic), which are images of the original source. If the original source is located near the layer, these images become real sources of the field. This paradoxical solution is then generalised to the case taking into account the retardation effects, which allows one to physically interpret the obtained solutions as a set of sources and 'sinks' of circularly polarised waves. (metamaterials)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Large-Eddy Simulations of Idealized Atmospheric Boundary Layers Using Nalu-Wind

Accurate prediction of wind-plant performance relies, in part, on properly characterizing the turbulent atmospheric boundary layer (ABL) flow in which wind turbines operate. Large-eddy simulation (LES) is a powerful tool for simulating ABLs because it resolves the largest, most energetic scales of three-dimensional turbulent motions. Yet LES predictions are well known to depend on modeling choices such as grid resolution, numerical discretization schemes, and closures for unresolved scales of turbulence. Here, we evaluate how these choices influence predictions of ABL winds using Nalu-Wind, a wind-specific fork of the open-source, generalized, unstructured, massively parallel flow solver NaluCFD/Nalu.

17 WIND ENERGY↗
DOE OSTI2013

Damaged silicon contact layer removal using atomic layer etching for deep-nanoscale semiconductor devices

Silicon atomic layer etching (ALET) using Cl{sub 2} is applied to remove the damaged layer on a 30 nm contact silicon surface formed by high-energy reactive ions during high aspect ratio contact etching, and its effects on the damage removal characteristics are investigated. Compared to a conventional damage removal method, such as the low-power CF{sub 4} plasma treatment technique, ALET produces less secondary damage to the substrate and gives exact etch depth control and extremely high etch selectivity to the contact SiO{sub 2} insulating pattern mold. When ALET is applied after a conventional damage removal technique, the sheet resistance of the damaged contact silicon surface is improved to a level close to that of a clean silicon surface, while exact atomic-scale depth control is maintained without changes in the pattern mold profile.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Characterization of Ru thin films from a novel CVD/atomic layer deposition precursor “Rudense” for capping layer of Cu interconnects

The authors have succeeded in development of a novel Ru precursor, Ru(EtCp)(η{sup 5}-CH{sub 2}C(Me)CHC(Me)O) [Rudense], for CVD and atomic layer deposition (ALD) processes under nonoxidative condition. Rudense has sufficient vapor pressure and good thermal stability (decomposition temperature = ca. 230 °C). Ru thin films were grown on Pt, Ru, Si, and SiO{sub 2} substrates using Rudense and NH{sub 3} as Ru precursor and reactant, respectively. Rudense gave the conformal, low-impurity (<10{sup 21} atoms/cc), and low-resistivity (16 μΩ cm) Ru thin films. Moreover, Rudense showed substrate selectivity; therefore, Rudense will be a candidate for area-selective CVD and ALD precursor for Ru capping layers of Cu interconnects.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Fluorocarbon assisted atomic layer etching of SiO{sub 2} and Si using cyclic Ar/C{sub 4}F{sub 8} and Ar/CHF{sub 3} plasma

The need for atomic layer etching (ALE) is steadily increasing as smaller critical dimensions and pitches are required in device patterning. A flux-control based cyclic Ar/C{sub 4}F{sub 8} ALE based on steady-state Ar plasma in conjunction with periodic, precise C{sub 4}F{sub 8} injection and synchronized plasma-based low energy Ar{sup +} ion bombardment has been established for SiO{sub 2} [Metzler et al., J. Vac. Sci. Technol. A 32, 020603 (2014)]. In this work, the cyclic process is further characterized and extended to ALE of silicon under similar process conditions. The use of CHF{sub 3} as a precursor is examined and compared to C{sub 4}F{sub 8}. CHF{sub 3} is shown to enable selective SiO{sub 2}/Si etching using a fluorocarbon (FC) film build up. Other critical process parameters investigated are the FC film thickness deposited per cycle, the ion energy, and the etch step length. Etching behavior and mechanisms are studied using in situ real time ellipsometry and x-ray photoelectron spectroscopy. Silicon ALE shows less self-limitation than silicon oxide due to higher physical sputtering rates for the maximum ion energies used in this work, ranged from 20 to 30 eV. The surface chemistry is found to contain fluorinated silicon oxide during the etching of silicon. Plasma parameters during ALE are studied using a Langmuir probe and establish the impact of precursor addition on plasma properties.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Low-temperature atomic layer deposition of TiO{sub 2} thin layers for the processing of memristive devices

Atomic layer deposition (ALD) represents one of the most fundamental techniques capable of satisfying the strict technological requirements imposed by the rapidly evolving electronic components industry. The actual scaling trend is rapidly leading to the fabrication of nanoscaled devices able to overcome limits of the present microelectronic technology, of which the memristor is one of the principal candidates. Since their development in 2008, TiO{sub 2} thin film memristors have been identified as the future technology for resistive random access memories because of their numerous advantages in producing dense, low power-consuming, three-dimensional memory stacks. The typical features of ALD, such as self-limiting and conformal deposition without line-of-sight requirements, are strong assets for fabricating these nanosized devices. This work focuses on the realization of memristors based on low-temperature ALD TiO{sub 2} thin films. In this process, the oxide layer was directly grown on a polymeric photoresist, thus simplifying the fabrication procedure with a direct liftoff patterning instead of a complex dry etching process. The TiO{sub 2} thin films deposited in a temperature range of 120–230 °C were characterized via Raman spectroscopy and x-ray photoelectron spectroscopy, and electrical current–voltage measurements taken in voltage sweep mode were employed to confirm the existence of resistive switching behaviors typical of memristors. These measurements showed that these low-temperature devices exhibit an ON/OFF ratio comparable to that of a high-temperature memristor, thus exhibiting similar performances with respect to memory applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Atomic layer deposition of 2D and 3D standards for synchrotron-based quantitative composition and structure analysis methods

Atomic layer deposition (ALD) is a scalable deposition technique known for producing uniform, conformal films of a wide range of compounds on nearly any substrate material. These traits make it an ideal deposition method for producing films to replace the National Institute of Standards and Technology (NIST) standards and create Standard Reference Materials (SRMs) on a wide range of relevant two-dimensional and three-dimensional substrates. The use of SRM from NIST for quantitative analysis of chemical composition using synchrotron based x-ray fluorescence (SR-XRF) and scanning transmission x-ray microscopy (STXM) is common. Such standards, however, can suffer from inhomogeneity in chemical composition and thickness and often require further calculations, based on sample mounting and detector geometry, to obtain quantitative results. These inhomogeneities negatively impact the reproducibility of the measurements and the quantitative measure itself. Utilizing Rutherford backscattering, x-ray reflectivity, quartz crystal microbalance, STXM, and SR-XRF, the authors show that ALD is capable of producing high quality standards that are homogenous over scales ranging from nanometers to 100s of micrometers.

Becker, Nicholas G.↗
DOE OSTI2016

Layer-by-layer composition and structure of silicon subjected to combined gallium and nitrogen ion implantation for the ion synthesis of gallium nitride

The composition and structure of silicon surface layers subjected to combined gallium and nitrogen ion implantation with subsequent annealing have been studied by the X-ray photoelectron spectroscopy, Rutherford backscattering, electron spin resonance, Raman spectroscopy, and transmission electron microscopy techniques. A slight redistribution of the implanted atoms before annealing and their substantial migration towards the surface during annealing depending on the sequence of implantations are observed. It is found that about 2% of atoms of the implanted layer are replaced with gallium bonded to nitrogen; however, it is impossible to detect the gallium-nitride phase. At the same time, gallium-enriched inclusions containing ∼25 at % of gallium are detected as candidates for the further synthesis of gallium-nitride inclusions.

36 MATERIALS SCIENCE↗
DOE OSTI2019

The Electron Structure of Metallic Layers in the Quasi-Two-Dimensional Dual-Layered Organic Metal (BETS){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2})

We have studied the behavior of the Shubnikov–de Haas (SdH) oscillations in the quasi-two-dimensional dual-layered organic metal (BETS){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2}). It is established that the spectrum of SdH oscillations in this compound agrees well with theoretical calculations and qualitatively coincides with the analogous spectrum of (ET){sub 4}HgBr{sub 4}(C{sub 6}H{sub 4}Cl{sub 2}) isostructural organic metal. The fractional substitution of sulfur by selenium in the cationic layer strongly decreases the values of cyclotron masses. This decrease is most probably caused by weakening of the electron–phonon interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Layered Double Perovskites

Successful strategies for the design of crystalline materials with useful function are frequently based on the systematic tuning of chemical composition within a given structural family. Perovskites with the formula ABX 3 , perhaps the best-known example of such a family, have a vast range of elements on A, B, and X sites, which are associated with a similarly vast range of functionality. Layered double perovskites (LDPs), a subset of this family, are obtained by suitable slicing and restacking of the perovskite structure, with the additional design feature of ordered cations and/or anions. In addition to inorganic LDPs, we also discuss hybrid (organic-inorganic) LDPs here, where the A-site cation is a protonated organic amine. Several examples of inorganic LDPs are presented with a discussion of their ferroic, magnetic, and optical properties. The emerging area of hybrid LDPs is particularly rich and is leading to exciting discoveries of new compounds with unique structures and fascinating optoelectronic properties. We provide context for what is important to consider when designing new materials and conclude with a discussion of future opportunities in the broad LDP area.

Materials Science↗
DOE OSTI2026

The Impact of Catalyst Layer Properties and Transport Layer Interactions on Rutile Iridium Oxide Anode Durability in Proton Exchange Membrane Electrolysis

The performance and durability of proton exchange membrane electrolyzers are governed by the interplay between catalyst inks and integration, the resulting catalyst layer (CL) structure, and the interface between the CL and porous transport layer (PTL). In this study, we examine the impact of these factors on cell performance and degradation using rutile IrO2 as the anode catalyst. The two commercial rutile IrO2 catalysts differ from each other and from the amorphous benchmark in agglomerate size and ink stability. This has implications for CL morphology and electronic connectivity. In the context of long-term pressurized operation for up to 1000 h, the selection of the PTL has a marginal effect on the durability of CLs with good structural and compositional properties, whereas poorly structured CLs demonstrate evident degradation when used with certain PTLs. Poor CL properties amplify the negative impact of non-ideal CL/PTL interfaces, demonstrating the importance of CL/PTL interface engineering.

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

Improving Wind Predictions in the Marine Atmospheric Boundary Layer through Parameter Estimation in a Single-Column Model

A current barrier to greater deployment of offshore wind turbines is the poor quality of numerical weather prediction model wind and turbulence forecasts over open ocean. The bulk of development for atmospheric boundary layer (ABL) parameterization schemes has focused on land, partly due to a scarcity of observations over ocean. The 100-m FINO1 tower in the North Sea is one of the few sources worldwide of atmospheric profile observations from the sea surface to turbine hub height. These observations are crucial to developing a better understanding and modeling of physical processes in the marine ABL. In this study, we use the WRF single column model (SCM), coupled with an ensemble Kalman filter from the Data Assimilation Research Testbed (DART), to create 100-member ensembles at the FINO1 location. The goal of this study is to determine the extent to which model parameter estimation can improve offshore wind forecasts.

17 WIND ENERGY↗
DOE OSTI2023

Neutral Atomic Beam Techniques for Diagnosis of Edge and Scrape-Off Layer Plasmas (2017-2019) [and subsequently titled] Neutral Atomic Beam Techniques for Diagnosis of Interior and Scrape-Off Layer Plasmas (2019-2022) (Final Report)

This is the Final Technical Report for the DOE Measurement Innovation grant DE-SC0017998 titled Neutral Atomic Beam Techniques for Diagnosis of Edge and Scrape-Off Layer Plasmas (2017-2019) and subsequently titled Neutral Atomic Beam Techniques for Diagnosis of Interior and Scrape-Off Layer Plasmas (2019-2022). The grant was funded by the Office of Fusion Energy Sciences (FES) for the period 1 September 2017 – 31 May 2022. Work performed through the grant has resulted in diagnostic innovations and new measurement capabilities that could improve understanding of magnetic equilibrium, edge localized modes in tokamaks, and bootstrap and Pfirsch-Schlüter currents in stellarators. We have performed simulations of a novel non-hydrogen beam-based diagnostic that would determine a local value (in the plasma) of the poloidal flux function by measuring the toroidal angle of the beam particles' velocity at a detector external to the plasma. The approach is similar to that of a Heavy Ion Beam Probe (HIBP), but would be able to operate with a smaller, more economical detection systems and, in doing so, may enable substantial extension of scenarios in which beam-based diagnostics are deployed. Key results include: Identification of the neutral and singly charged atoms that are most appropriate for use in the beam based diagnostic and the ionization cross-sections that are important for studying the plasma edge of a large device; Development of a promising geometry for operation in which the beam is injected horizontally near the torus midplane; Implementation of simulations using banana orbit trajectories of secondary beam ions to access plasma regions that are commonly in-accessible to an HIBP diagnostic, including sample volumes near the X-point of a diverted tokamak; Assessment of the ability of the diagnostic concept (originally developed under the assumption of, and reliant on, symmetry) to work in stellarators by performing simulations with both quasi-symmetric fields and non-quasi-symmetric fields; Measurement of noise levels with a prototype detector on a stellarator and exploration of techniques to minimize effects of noise on a diagnostic.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

S-layers at second glance? Altiarchaeal grappling hooks (hami) resemble archaeal S-layer proteins in structure and sequence

The uncultivated “Candidatus Altiarchaeum hamiconexum” (formerly known as SM1 Euryarchaeon) carries highly specialized nano-grappling hooks (“hami”) on its cell surface. Until now little is known about the major protein forming these structured fibrous cell surface appendages, the genes involved or membrane anchoring of these filaments. These aspects were analyzed in depth in this study using environmental transcriptomics combined with imaging methods. Since a laboratory culture of this archaeon is not yet available, natural biofilm samples with high Ca. A. hamiconexum abundance were used for the entire analyses. The filamentous surface appendages spanned both membranes of the cell, which are composed of glycosyl-archaeol. The hami consisted of multiple copies of the same protein, the corresponding gene of which was identified via metagenome-mapped transcriptome analysis. The hamus subunit proteins, which are likely to self-assemble due to their predicted beta sheet topology, revealed no similiarity to known microbial flagella-, archaella-, fimbriae- or pili-proteins, but a high similarity to known S-layer proteins of the archaeal domain at their N-terminal region (44–47% identity). Our results provide new insights into the structure of the unique hami and their major protein and indicate their divergent evolution with S-layer proteins.

environmental transcriptomics↗
DOE OSTI2024

Mechanically Reinforced Pseudosolid Polyelectrolyte Membranes via Layer-by-Layer Assembly for High-Performing Lithium-Metal Batteries

Ionogels are emerging as high-potential pseudosolid electrolytes for lithium-metal batteries (LMBs), leveraging their intrinsic high ionic conductivity from entrapped ionic liquid (IL) electrolytes. However, their practical application is hindered by poor mechanical strength stemming from the confinement of ILs within a polymer matrix. To address this challenge, the formation of conformal polyion coatings with functional groups is reported to be relevant to LMBs’ application on ionogels, utilizing a layer-by-layer (LbL) assembly strategy. Here, this approach significantly enhances the mechanical strength (Young's modulus and tensile strength) and electrochemical performance of ionogels, owing to the tailored interface modifications introduced by functional groups’ specific conformal polyion coatings. The core of this methodology leverages the inherent ionic structure of ionogels to enable facile interface modification through Coulombic interactions between polyanions and polycations. These conformally coated interface functionalized membranes show improved electrochemical performance when integrated with cathode materials such as LiFePO 4 (LFP) and LiNi 0.8 Mn 0.1 Co 0.1 O 2 (NMC811) in an LMB configuration, underscoring their potential for robust, high-conductivity, pseudosolid membranes for LMB applications. These innovative pseudosolid membranes offer improved mechanical and electrochemical properties, leading to higher battery efficiency and safety, making them promising candidates for next-generation LMB technology.

25 ENERGY STORAGE↗