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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 1,405 records · Page 78
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A combined SECM and electrochemical AFM approach to probe interfacial processes affecting molecular reactivity at redox flow battery electrodes

Redox flow batteries are attractive technologies for grid energy storage since they use solutions of redox-active molecules that enable a superior scalability and the decoupling of power and energy density. However, the reaction mechanisms of the redox active components at RFB electrodes are complex, and there is currently a pressing need to understand how interfacial processes impact the kinetics and operational reversibility of RFB systems. Here, we developed a combined electrochemical imaging methodology rooted in scanning electrochemical microscopy (SECM) and atomic force microscopy (AFM) for exploring the impact of electrode structure and conditioning on the electron transfer properties of model redox-active dialkoxybenzene derivatives, 2,5-di-tert-butyl-1,4-bis(2-methoxyethoxy)benzene (C1) and 2,3-dimethyl-1,4-dialkoxybenzene (C7). Using AFM and secondary-ion mass spectrometry (SIMS), we observed the formation of interfacial films with distinct mechanical properties compared to those of cleaved graphitic surfaces, and exclusively during reduction of electrogenerated radical cations. These films had an impact on the median rate and distribution of the electron transfer rate constant at the basal plane of multilayer and single layer graphene electrodes, displaying kinetically-limited values that did not yield the activation expected per the Butler–Volmer model with a transfer coefficient ~0.5. These changes were dependent on redoxmer structure: furthermore, SECM showed strong attenuation of C7 kinetics by a surface layer on MLG and SLG, while C1 kinetics were only affected by SLG. SECM and AFM results together show that these limiting films operate exclusively on the basal plane of graphite, with the edge plane showing a relative insensitivity to cycling and operation potential. Ultimately, this integrated electrochemical imaging methodology creates new opportunities to understand the unique role of interfacial processes on the heterogeneous reactivity of redoxmers at electrodes for RFBs, with a future role in elucidating phenomena at high active concentrations and spatiotemporal variations in electrode dynamics.

25 ENERGY STORAGE↗
DOE OSTI2022

Different interfacial reactivity of lithium metal chloride electrolytes with high voltage cathodes determines solid-state battery performance

A deep understanding of the interaction of the surface of cathode materials with solid electrolytes is crucial to design advanced solid-state batteries (SSBs). This is especially true for the new class of lithium metal chloride (Li-M-Cl) solid electrolytes which are receiving rapidly growing attention due to their very high oxidative stability (>4 V) in combination with good ionic conductivity that can enable long cell cycle life. While Li-M-Cl electrolytes typically contain resource-limited metals (M) such as indium or rare earths, work has focused on substituting M with more abundant elements such as zirconium. Via operando resistance measurements using intermittent current interruption we explore the dynamic evolution of the interphase at the surface of Ni-rich NCM85 or NCM111 cathode particles inside a working SSB with three different Li-(M 1 ,M 2 )-Cl catholytes (Li 3 InCl 6 , Li 2 Sc 1/3 In 1/3 Cl 4 and Li 5/2 Y 1/2 Zr 1/2 Cl 6 ) to reveal the impact of the cationic metal substitution on the interfacial chemistry. We show that the metal plays a critical role in determining high voltage stability, contrary to prior assumptions. Using a combination of cyclic voltammetry and ultraviolet photoelectron spectroscopy measurements of the electronic band structure to assess oxidative stability; coupled with DFT calculations and ToF-SIMS to evaluate products formed at the interface at different upper cutoff potentials and degrees of delithiation, we are able to differentiate between electrochemical and chemical degradation. We find that Li 2 Sc 1/3 In 1/3 Cl 4 yields the highest (and Li 3 InCl 6 the lowest) stability against electrochemical oxidation, while Li 5/2 Y 1/2 Zr 1/2 Cl 6 undergoes a detrimental chemical reaction with oxygen released from Ni-rich NCM85 at high potentials, resulting in fast capacity fading. Altogether, our work establishes a platform for the metrics and an approach that can be utilized to efficiently evaluate the stability of new halide SEs in SSB cells.

25 ENERGY STORAGE↗
DOE OSTI2025

Uranium particle age dating, aggregation, and model age best estimators

We present important aspects of uranium particle age dating by Large-Geometry Secondary Ion Mass Spectrometry (LG-SIMS) that can introduce bias and increase model age uncertainties, especially for small, young, and/or low-enriched particles. This metrology is important for applications related to International Nuclear Safeguards. We explore influential factors related to model age estimation, including the effects of evolving surface chemistry on inter-element measurements of particles (e.g., Th and U), detector background, and aggregation methods using simulated and actual particle samples. We introduce a new model age estimator, called “mid68”, that supplements 95% confidence intervals, providing a “best estimate” and uncertainty about the most likely age. The mid68 estimator can be calculated using the Feldman and Cousins method or Bayesian methods and provides a value with a symmetric uncertainty that can be used for calculations and approximate aggregation of processed model age values when the raw data and correction factors are not available. For particles yielding low 230 Th counts amidst nonzero detector background, their underlying model age probability distributions are asymmetric, so the mid68 estimator provides additional robust information regarding the underlying model age likelihood. This study provides a comprehensive and timely examination of critical aspects of uranium particle age dating as more laboratories establish particle chronometry capabilities.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Advanced spectroscopic studies of (PPh 4 ) 2 [Co(N 3 ) 4 ], a field-induced single-ion magnet

The high-spin Co II complex (PPh 4 ) 2 [Co(N 3 ) 4 ] (Co-N 3 )has been investigated using advanced spectroscopic techniques [far-IR magneto-spectroscopy (FIRMS), high-frequency and high-field EPR (HFEPR), and inelastic neutron scattering (INS)] to study its zero-field-splitting (ZFS), giving spin-Hamiltonian (SH) parameters. The analysis of multi-frequency HFEPR reveals the easy-axis anisotropy with a D value of −10.39(5) cm −1 and a rhombic ratio (E/D) of 0.21(1). The magnetic properties have also been probed by direct-current (DC) magnetometry, suggesting minor differences in anisotropy from the previously reported polymorph (Co-N 3 ′). Ligand-field theory (LFT) analysis indicates that the structures of Co-N 3 and Co-N 3 ′ are closer to D 2d symmetry than other symmetries considered. Alternate-current (AC) susceptibility reveals slow magnetic relaxation under an applied field, indicating that Co-N 3 is a field-induced single-ion magnet (SIM). Here, while both Co-N 3 and Co-N 3 ′ were studied by DC magnetometry, one unusual aspect of the current work on Co-N 3 is that advanced spectroscopies HFEPR, FIRMS, and INS were used to directly observe transitions between ZFS split states, giving accurate SH parameters.

Hand, Adam T. [Univ. of Tennessee, Knoxville, TN (↗
DOE OSTI2020

WEC fault modelling and condition monitoring: A graph-theoretic approach

The nature of wave resources usually requires wave energy converter (WEC) components to handle peak loads (i.e., torques, forces, and powers) that are many times greater than their average loads, accelerating equipment degradation. Moreover, due to their isolated nature and harsh operating environment, WEC systems are projected to possess high operations and maintenance (O&M) cost, i.e., around 27% of their leveled cost of energy. As such, developing techniques to mitigate these costs through the application of condition monitoring and fault tolerant control will significantly impact the economic feasibility of grid connected WEC power. Toward this goal, models of faulty components are developed in the open source modeling platform, WEC-Sim, to estimate the performance and measurable states of a WEC operating with likely device and sensor failures. Two types of faulty component models are then applied to a point absorber WEC model with basic controller damping and spring forces. Resulting changes in device behavior are recorded as a benchmark, and a graph-theoretic approach is proposed for fault detection and identification utilizing multivariate time series. Simulation results demonstrate that these faults can greatly affect the WEC performance, and that the proposed method can effectively detect and classify different types of faults.

16 TIDAL AND WAVE POWER↗
DOE OSTI2021

Modular horizontal pendulum wave energy converter: Exploring feasibility to power ocean observation applications in the U.S. pacific northwest

Abstract Marine renewable energy as a power source for ocean observation applications has the potential to allow longer deployment operations due to the consistent, higher, and denser energy available from this resource. This additionally could encourage deployments in remote locations where maintenance is costly or resource availability is low if dependent on solar power. More importantly, gaps in spatial data could be filled. This paper examines the feasibility of a modular horizontal pendulum wave energy converter to power National Data Buoy Center's Self‐Contained Ocean Observations Payload (SCOOP) off the coast of Washington State, U.S. The effect on power output was studied when the pendulum's radius arm, mass, and power take‐off damping were varied. Results using Matlab toolbox WEC‐Sim revealed positive correlation between radius arm length and mass to power output, where power maximised for optimal damping values. Seasonal trends in power were not significant, where a 20 kg pendulum mass was needed to meet the SCOOP base power requirement of 5 W throughout the year.

16 TIDAL AND WAVE POWER↗
DOE OSTI2014

InGaAs tunnel diodes for the calibration of semi-classical and quantum mechanical band-to-band tunneling models

Promising predictions are made for III-V tunnel-field-effect transistor (FET), but there is still uncertainty on the parameters used in the band-to-band tunneling models. Therefore, two simulators are calibrated in this paper; the first one uses a semi-classical tunneling model based on Kane's formalism, and the second one is a quantum mechanical simulator implemented with an envelope function formalism. The calibration is done for In{sub 0.53}Ga{sub 0.47}As using several p+/intrinsic/n+ diodes with different intrinsic region thicknesses. The dopant profile is determined by SIMS and capacitance-voltage measurements. Error bars are used based on statistical and systematic uncertainties in the measurement techniques. The obtained parameters are in close agreement with theoretically predicted values and validate the semi-classical and quantum mechanical models. Finally, the models are applied to predict the input characteristics of In{sub 0.53}Ga{sub 0.47}As n- and p-lineTFET, with the n-lineTFET showing competitive performance compared to MOSFET.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Operation of an ungated diamond field-emission array cathode in a L-band radiofrequency electron source

We report on the operation of a field-emitter-array cathode in a conventional L-band radio-frequency electron source. The cathode consisted of an array of ∼10{sup 6} diamond tips on pyramids. Maximum current on the order of 15 mA was reached and the cathode did not show appreciable signs of fatigue after weeks of operation. The measured Fowler-Nordheim characteristics, transverse beam density, and current stability are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Thermal evolution of defects in undoped zinc oxide grown by pulsed laser deposition

Undoped ZnO films are grown by pulsed laser deposition on c-plane sapphire with different oxygen pressures. Thermal evolutions of defects in the ZnO films are studied by secondary ion mass spectroscopy (SIMS), Raman spectroscopy, and positron annihilation spectroscopy (PAS), and with the electrical properties characterized by the room temperature Hall measurement. Oxygen deficient defect related Raman lines 560 cm{sup −1} and 584 cm{sup −1} are identified and their origins are discussed. Thermal annealing induces extensive Zn out-diffusion at the ZnO/sapphire interface and leaves out Zn-vacancy in the ZnO film. Two types of Zn-vacancy related defects with different microstructures are identified in the films. One of them dominates in the samples grown without oxygen. Annealing the sample grown without oxygen or growing the samples in oxygen would favor the Zn-vacancy with another microstructure, and this Zn-vacancy defect persists after 1100 °C annealing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Observed damage during Argon gas cluster depth profiles of compound semiconductors

Argon Gas Cluster Ion Beam (GCIB) sources have become very popular in XPS and SIMS in recent years, due to the minimal chemical damage they introduce in the depth-profiling of polymer and other organic materials. These GCIB sources are therefore particularly useful for depth-profiling polymer and organic materials, but also (though more slowly) the surfaces of inorganic materials such as semiconductors, due to the lower roughness expected in cluster ion sputtering compared to that introduced by monatomic ions. We have examined experimentally a set of five compound semiconductors, cadmium telluride (CdTe), gallium arsenide (GaAs), gallium phosphide (GaP), indium arsenide (InAs), and zinc selenide (ZnSe) and a high-κ dielectric material, hafnium oxide (HfO), in their response to argon cluster profiling. An experimentally determined HfO etch rate of 0.025 nm/min (3.95 × 10{sup −2} amu/atom in ion) for 6 keV Ar gas clusters is used in the depth scale conversion for the profiles of the semiconductor materials. The assumption has been that, since the damage introduced into polymer materials is low, even though sputter yields are high, then there is little likelihood of damaging inorganic materials at all with cluster ions. This seems true in most cases; however, in this work, we report for the first time that this damage can in fact be very significant in the case of InAs, causing the formation of metallic indium that is readily visible even to the naked eye.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Impact of thermal treatment on the optical performance of InGaN/GaN light emitting diodes

This paper describes a detailed analysis of the effects of high temperatures on the optical performance and structural characteristics of GaN-based LED structures with a high threading dislocation density. Results show that, as a consequence of storage at 900 °C in N{sub 2} atmosphere, the samples exhibit: (i) an increase in the efficiency of GaN and quantum-well luminescence, well correlated to an increase in carrier lifetime; (ii) a decrease in the parasitic luminescence peaks related to Mg acceptors, which is correlated to the reduction in the concentration of Mg in the p-type region, detected by Secondary Ion Mass Spectroscopy (SIMS); (iii) a diffusion of acceptor (Mg) atoms to the quantum well region; (iv) a reduction in the yield of Rutherford Backscattering Spectrometry (RBS)-channeling measurements, possibly due to a partial re-arrangement of the dislocations, which is supposed to be correlated to the increase in radiative efficiency (see (i))

36 MATERIALS SCIENCE↗
DOE OSTI2015

Low temperature fabrication and doping concentration analysis of Au/Sb ohmic contacts to n-type Si

This paper investigates low temperature ohmic contact formation of Au/Sb to n-type Si substrates through AuSb/NiCr/Au metal stacks. Liquid epitaxy growth is utilized to incorporate Sb dopants into Si substrate in AuSi melt. The best specific contact resistivity achieved is 0.003 Ω ⋅ cm{sup 2} at 425 {sup o}C. Scanning electron microscopy (SEM) reveals inverted pyramidal crater regions at the metal/semiconductor interface, indicating that AuSi alloying efficiently occurs at such sites. Secondary ion mass spectroscopy (SIMS) shows that Sb atoms are successfully incorporated into Si as doping impurities during the anneal process, and the Sb doping concentration at the contact interface is found to be higher than the solid solubility limit in a Si crystal. This ohmic contacts formation method is suitable for semiconductor fabrication processes with limited thermal budget, such as post CMOS integration of MEMS.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Access to residual carrier concentration in ZnO nanowires by calibrated scanning spreading resistance microscopy

Scanning spreading resistance microscopy (SSRM) was performed on non-intentionally doped (nid) ZnO nanowires (NWs) grown by metal-organic chemical vapor deposition in order to measure their residual carrier concentration. For this purpose, an SSRM calibration profile has been developed on homoepitaxial ZnO:Ga multilayer staircase structures grown by molecular beam epitaxy. The Ga density measured by SIMS varies in the 1.7 × 10{sup 17 }cm{sup −3} to 3 × 10{sup 20 }cm{sup −3} range. From measurements on such Ga doped multi-layers, a monotonic decrease in SSRM resistance with increasing Ga density was established, indicating SSRM being a well-adapted technique for two dimensional dopant/carrier profiling on ZnO at nanoscale. Finally, relevant SSRM signal contrasts were detected on nid ZnO NWs, and the residual carrier concentration is estimated in the 1–3 × 10{sup 18 }cm{sup −3} range, in agreement with the result from four-probe measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Compositional analysis of dilute nitride doped indium antimonide bulk crystal by VDS technique

Dilute nitrides are suitable materials for fabrication of devices in detection of long wavelength infrared region. Dilute nitride doped Indium antimonide bulk crystals were grown using vertical directional solidification technique. The compositional characteristics of the crystals were carried out using EDS. The analysis was simulated and compared with observations using DTSA II software for accuracy. The ingots have uniform composition of Indium and Antimony. The actual nitrogen composition measured using EDS was 0.136% for doped nitrogen composition 0.1% except near conical end where it was 0.1%. The study of bonding between nitrogen, Indium and antimony was carried out using SIMS. The analysis shows strong presence of In-N bonding along with In-Sb bonds which indicates nitrogen has replaced antimony atoms in crystal lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Annealing induced structural changes in amorphous Co{sub 23}Fe{sub 60}B{sub 17} film on Mo buffer layer

Structural changes occurring in a thin amorphous Co{sub 23}Fe{sub 60}B{sub 17} film sandwiched between two Mo layers, as a function of thermal annealing has been studied. Thermal stability of the Co{sub 23}Fe{sub 60}B{sub 17} film is found to be significantly lower than the bulk ribbons. SIMS measurements show that during crystallization, boron which is expelled out of the crystallites, has a tendency to move towards the surface. No significant diffusion of boron in Mo buffer layer is observed. This result is in contrast with some earlier studies where it was proposed that the role of buffer layer of refractory metal is to absorb boron which is expelled out of the bcc FeCo phase during crystallization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Direct synthesis of ultrathin SOI structure by extremely low-energy oxygen implantation

We performed extremely low-energy {sup 16}O{sup +} implantation at 10 keV (R{sub p} ∼ 25 nm) followed by annealing aiming at directly synthesizing an ultrathin Si layer separated by a buried SiO{sub 2} layer in Si(001) substrates, and then investigated feasible condition of recrystallization and stabilization of the superficial Si and the buried oxide layer by significantly low temperature annealing. The elemental compositions were analyzed by Rutherford backscattering (RBS) and secondary ion mass spectroscopy (SIMS). The crystallinity of the superficial Si layer was quantitatively confirmed by ananlyzing RBS-channeling spectra. Cross-sectional morphologies and atomic configurations were observed by transmission electron microscope (TEM). As a result, we succeeded in directly synthesizing an ultrathin single-crystalline silicon layer with ≤20 nm thick separated by a thin buried stoichiometric SiO{sub 2} layer with ≤20 nm thick formed by extremely low-energy {sup 16}O{sup +} implantation followed by surprisingly low temperature annealing at 1050{sup ∘} C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Suppression effect of silicon (Si) on Er{sup 3+} 1.54μm excitation in ZnO thin films

We have investigated the photoluminescence (PL) characteristics of ZnO:Er thin films on Si (100) single crystal and SiO{sub 2}-on-silicon (SiO{sub 2}) substrates, synthesized by radio frequency magnetron sputtering. Rutherford backscattering/channeling spectrometry (RBS), X-ray diffraction (XRD) and atomic force microscope (AFM) were used to analyze the properties of thin films. The diffusion depth profiles of Si were determined by second ion mass spectrometry (SIMS). Infrared spectra were obtained from the spectrometer and related instruments. Compared with the results at room temperature (RT), PL (1.54μm) intensity increased when samples were annealed at 250°C and decreased when at 550°C. A new peak at 1.15μm from silicon (Si) appeared in 550°C samples. The Si dopants in ZnO film, either through the diffusion of Si from the substrate or ambient, directly absorbed the energy of pumping light and resulted in the suppression of Er{sup 3+} 1.54μm excitation. Furthermore, the energy transmission efficiency between Si and Er{sup 3+} was very low when compared with silicon nanocrystal (Si-NC). Both made the PL (1.54μm) intensity decrease. All the data in experiments proved the negative effects of Si dopants on PL at 1.54μm. And further research is going on.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Electron-beam pulse annealed Ti-implanted GaP

Gallium phosphide heavily doped with substitutional titanium is a prospective material for intermediate band solar cells. To manufacture such a material, single crystals of GaP were implanted with 120 keV Ti ions to doses between 5 × 10{sup 14} cm{sup −2} and 5 × 10{sup 15} cm{sup −2}. They were next pulse annealed with 2 μs electron-beam pulses of electron energy of about 13 keV and pulse energy density between 1 and 2 Jcm{sup −2}. The samples were studied by channeled Rutherford Backscattering, particle induced X-ray emission, and SIMS. The results show full recovery of crystal structure damaged by implantation and good retention of the implanted titanium without, however, its significant substitution at crystal sites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗