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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 883 records · Page 49
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Evaluating the oxidative, photothermal and electrical stability of colloidal nanocrystal solids

IV-VI quantum dot (QD) solids are a novel class of granular electronic materials with great technological potential (e.g., in photodetectors, field-effect transistors (FETs), and solar cells), but their oxidative and thermal instability present a barrier to practical applications [1]. Poor stability is a fundamental issue facing many nanoscale materials due to high surface area and surface energy. Basic studies are needed to elucidate the most important mechanisms of degradation and develop robust countermeasures if QD materials are to become technologically important. This project determined the degradation mechanisms of IV-VI QD solids (primarily PbSe and PbS) and introduced new chemical strategies to drastically improve their performance, stability, and operating lifetimes [2-5]. Our approach was based on (1) detailed testing of QD thin film materials (principally FETs and solar cells) as a function of oxidative and thermal stress, and (2) the use of organic and inorganic approaches to link the QDs into strongly electronically coupled, high-mobility films, prevent their oxidation, and eliminate internal degrees of freedom that lead to film instability and degradation in response to electrical and thermal stress. Stability against oxidation and thermal degradation was the major focus of this project. We have evaluated the stability of QD thin films and interfaces at temperatures less than 100°C (the regime most relevant to solar and transistor applications). Low-temperature oxidation and sintering of QD films have been investigated using optical absorption spectroscopy, Fourier transform infrared spectroscopy (FTIR), current-voltage scanning of transistors and solar cells, X-ray photoelectron spectroscopy, and scanning Kelvin probe microscopy (SKPM). SKPM was used to map the potential profiles of operating QD FETs and solar cells as a function of bias and illumination, which provides detailed information on how the work functions, potential drops and electric field within these devices determine device operation, and set the stage for future studies targeted at understanding and preventing device failure. We pursued two strategies to fabricate QD films with stable electrical characteristics: (1) the use of robust molecular surface ligands [2], and (2) “matrix engineering,” i.e., infilling the QD solid with metal oxide or metal sulfide matrices by low-temperature atomic layer deposition (ALD) to passivate surface states, prevent oxidation, lock the QDs into position, inhibit diffusion, and tune the height and width of the inter-QD potential barriers that govern charge transport [5,6]. Poor stability is a common feature of nanoscale electronic materials, yet stability is all too rarely the focus of basic research. Fundamental studies are therefore needed to elucidate the most important mechanisms of degradation and develop simple yet effective countermeasures. By revealing both how QD solids degrade in response to environmental stresses (oxidative, photothermal, and electric) and how to prevent this degradation, the project has greatly improved our ability to develop stable, high-performance QD materials for real-world applications.

36 MATERIALS SCIENCE↗
DOE OSTI2023

A nanocryotron memory and logic family

The development of superconducting electronics based on nanocryotrons has been limited so far to few device circuits, in part due to the lack of standard and robust logic cells. Here, we introduce and experimentally demonstrate designs for a set of nanocryotron-based building blocks that can be configured and combined to implement memory and logic functions. The devices were fabricated by patterning a single superconducting layer of niobium nitride and measured in liquid helium on a wide range of operating points. The tests show 10 - 4 bit error rates with above ± 20 % margins up to 50 MHz and the possibility of operating under the effect of an out-of-plane 36 mT magnetic field, with ± 30 % margins at 10 MHz. Additionally, we designed and measured an equivalent delay-flip-flop made of two memory cells to show the possibility of combining multiple building blocks to make larger circuits. These blocks may constitute a solid foundation for the development of nanocryotron logic circuits and finite-state machines with potential applications in the integrated processing and control of superconducting nanowire single-photon detectors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2012

High energy resolution five-crystal spectrometer for high quality fluorescence and absorption measurements on an x-ray absorption spectroscopy beamline

Fluorescence detection is classically achieved with a solid state detector (SSD) on x-ray absorption spectroscopy (XAS) beamlines. This kind of detection however presents some limitations related to the limited energy resolution and saturation. Crystal analyzer spectrometers (CAS) based on a Johann-type geometry have been developed to overcome these limitations. We have tested and installed such a system on the BM30B/CRG-FAME XAS beamline at the ESRF dedicated to the structural investigation of very dilute systems in environmental, material and biological sciences. The spectrometer has been designed to be a mobile device for easy integration in multi-purpose hard x-ray synchrotron beamlines or even with a laboratory x-ray source. The CAS allows to collect x-ray photons from a large solid angle with five spherically bent crystals. It will cover a large energy range allowing to probe fluorescence lines characteristic of all the elements from Ca (Z = 20) to U (Z = 92). It provides an energy resolution of 1-2 eV. XAS spectroscopy is the main application of this device even if other spectroscopic techniques (RIXS, XES, XRS, etc.) can be also achieved with it. The performances of the CAS are illustrated by two experiments that are difficult or impossible to perform with SSD and the complementarity of the CAS vs SSD detectors is discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Every Atom Counts: Elucidating the Fundamental Impact of Structural Change in Conjugated Polymers for Organic Photovoltaics

As many conjugated polymer-based organic photovoltaic (OPV) materials provide substantial solar power conversion efficiencies (as high as 13%), it is important to develop a deeper understanding of how the primary repeat unit structures impact device performance. In this work, we have varied the group 14 atom (C, Si, Ge) at the center of a bithiophene fused ring to elucidate the impact of a minimal repeat unit structure change on the optical, transport, and morphological properties, which ultimately control device performance. Careful polymerization and polymer purification produced three “one-atom change” donor–acceptor conjugated alternating copolymers with similar molecular weights and dispersities. DFT calculation, absorption spectroscopy, and high-temperature solution 1 H nuclear magnetic resonance (NMR) results indicate that poly(dithienosilole-alt-thienopyrrolodione), P(DTS-TPD), and poly(dithienogermole-alt-thienopyrrolodione), P(DTG-TPD) exhibit different rotational conformations when compared to poly(cyclopentadithiophene-alt-thienopyrrolodione), P(DTC-TPD). Solid-state 1 H MAS NMR experiments reveal that the greater probability of the anticonformation in P(DTS-TPD) and P(DTG-TPD) prevail in the solid phase. The conformational variation seen in solution and solid-state NMR in turn affects the polymer stacking and intermolecular interaction. Two-dimension 1 H- 1 H DQ-SQ NMR correlation spectra shows aromatic–aromatic correlations for P(DTS-TPD) and P(DTG-TPD), which on the other hand is absent for P(DTC-TPD). In a thin-film interchain packing study using grazing incidence wide-angle X-ray scattering (GIWAXS), we observe the π-face of the conjugated backbones of P(DTC-TPD) aligned edge-on to the substrate, whereas in contrast the π-faces of P(DTS-TPD) and P(DTG-TPD) align parallel to the surface. These differences in polymer conformations and backbone orientations lead to variations in the OPV performance of blends with the fullerene PC 71 BM, with the device containing P(DTC-TPD):PCBM having a lower fill factor and a lower power conversion efficiency. Ultrafast transient absorption spectroscopy shows the P(DTC-TPD):PCBM blend to have a more pronounced triplet formation from bimolecular recombination of initially separated charges. With a combination of sub-bandgap external quantum efficiency measurements and DFT calculations, we present evidence that the greater charge recombination loss is the result of a lower lying triplet energy level for P(DTC-TPD), leading to a higher rate of recombination and lower OPV device performance. In conclusion, importantly, this study ties ultimate photovoltaic performance to morphological features in the active films that are induced from the processing solution and are a result of minimal one-atom differences in polymer repeat unit structure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Ultrafast Charge Transfer Dynamics at the Origin of Photoconductivity in Doped Organic Solids

In spite of their growing importance for optoelectronic devices, the fundamental properties and photophysics of molecularly doped organic solids remain poorly understood. Such doping typically leads to a small fraction of free conductive charges, with most electronic carriers remaining Coulombically bound to the ionized dopant. Recently, we have reported photocurrent for devices containing vacuum-deposited TAPC (1,1-bis(4-bis(4- methylphenyl)aminophenyl)cyclohexane) doped with MoO 3 , showing that photoexcitation of charged TAPC molecules increases the concentration of free holes that contribute to conduction. Here, we elucidate the excited-state dynamics of such doped TAPC films to unravel the key mechanisms responsible for this effect. We demonstrate that excitation of different electronic transitions in charged and neutral TAPC molecules allows bound holes to overcome the Coulombic attraction to their MoO 3 counterions, resulting in an enhanced yield of long-lived free carriers. This is caused by ultrafast back-and-forth shuffling of charges and excitation energy between adjacent cations and neutral molecules, competing with relatively slow nonradiative decay from higher excited states of TAPC •+ . The light-induced generation of conductive carriers requires the coexistence of cationic and neutral TAPC, a favorable energy level alignment, and intermolecular interactions in the solid state.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Metal–Ligand Based Mechanophores Enhance Both Mechanical Robustness and Electronic Performance of Polymer Semiconductors

The backbone of diketopyrrolopyrrole-thiophene-vinylene-thiophene-based polymer semiconductors (PSCs) is modified with pyridine (Py) or bipyridine ligands to complex Fe(II) metal centers, allowing the metal–ligand complexes to act as mechanophores and dynamically crosslink the polymer chains. Here, mono- and bi-dentate ligands are observed to exhibit different degrees of bond strengths, which subsequently affect the mechanical properties of these Wolf-type-II metallopolymers. The counter ion also plays a crucial role, as it is observed that Py-Fe mechanophores with non-coordinating BPh 4 – counter ions (Py-FeB) exhibit better thin film ductility with lower elastic modulus, as compared to the coordinating chloro ligands (Py-FeC). Interestingly, besides mechanical robustness, the electrical charge carrier mobility can also be enhanced concurrently when incorporating Py-FeB mechanophores in PSCs. This is a unique observation among stretchable PSCs, especially that most reports to date describe a decreased mobility when the stretchability is improved. Next, it is determined that improvements to both mobility and stretchability are correlated to the solid-state molecular ordering and dynamics of coordination bonds under strain, as elucidated via techniques of grazing-incidence X-ray diffraction and X-ray absorption spectroscopy techniques, respectively. This study provides a viable approach to enhance both the mechanical and the electronic performance of polymer-based soft devices.

36 MATERIALS SCIENCE↗
DOE OSTI2010

On the Theory of the Modulation Instability in Optical Fiber and Laser Amplifiers

The modulation instability (MI) in optical fiber amplifiers and lasers with anomalous dispersion leads to CW beam breakup and the growth of multiple pulses. This can be both a detrimental effect, limiting the performance of amplifiers, and also an underlying physical mechanism in the operation of MI-based devices. Here we revisit the analytical theory of MI in fiber optical amplifiers. The results of the exact theory are compared with the previously used adiabatic approximation model, and the range of applicability of the latter is determined. The same technique is applicable to the study of spatial MI in solid state laser amplifiers and MI in non-uniform media.

42 ENGINEERING↗
DOE OSTI2017

Controlling the sign of chromatic dispersion in diffractive optics with dielectric metasurfaces

Diffraction gratings disperse light in a rainbow of colors with the opposite order than refractive prisms, a phenomenon known as negative dispersion. While refractive dispersion can be controlled via material refractive index, diffractive dispersion is fundamentally an interference effect dictated by geometry. Here we show that this fundamental property can be altered using dielectric metasurfaces, and we experimentally demonstrate diffractive gratings and focusing mirrors with positive, zero, and hyper-negative dispersion. These optical elements are implemented using a reflective metasurface composed of dielectric nano-posts that provide simultaneous control over phase and its wavelength derivative. In addition, as a first practical application, we demonstrate a focusing mirror that exhibits a five-fold reduction in chromatic dispersion, and thus an almost three-times increase in operation bandwidth compared with a regular diffractive element. In conclusion, this concept challenges the generally accepted dispersive properties of diffractive optical devices and extends their applications and functionalities.

42 ENGINEERING↗
DOE OSTI2012

Hard X-ray Fluorescence Measurements of Heteroepitaxial Solid Oxide Fuel Cell Cathode Materials

Commonly, SOFCs are operated at high temperatures (above 800°C). At these temperatures expensive housing is needed to contain an operating stack as well as coatings to contain the oxidation of the metallic interconnects. Lowering the temperature of an operating device would allow for more conventional materials to be used, thus lowering overall cost. Understanding the surface chemical states of cations in the surface of the SOFC cathode is vital to designing a system that will perform well at lower temperatures. The samples studied were grown by pulsed laser deposition (PLD) at the Environmental Molecular Sciences Laboratory (EMSL) at Pacific Northwest National Laboratory (PNNL). 20% strontium doped lanthanum manganite (LSM-20) was grown on YSZ and NGO (neodymium gallate). The films on YSZ have a fiber texture. LSM-20 on NGO is heteroepitaxial. Lanthanum strontium cobalt ferrite (LSCF-6428) films were grown on LAO and YSZ with a GDC barrier layer. Total X-ray Reflection Fluorescence (TXRF) was used to depth profile the samples. In a typical experiment, the angle of the incident beam is varied though the critical angle. Below the critical angle, the x-ray decays as an evanescent wave and will only penetrate the top few nanometers. TXRF experiments done on LSM films have suggested strontium segregates to the surface and form strontium enriched nanoparticles (1). It should be pointed out that past studies have focused on 30% strontium A-site doping, but this project uses 20% strontium doped lanthanum manganite. XANES and EXAFS data were taken as a function of incoming angle to probe composition as a function of depth. XANES spectra can be difficult to analyze fully. For other materials density functional theory calculations compared to near edge measurements have been a good way to understand the 3d valence electrons (2).

Environmental Molecular Sciences Laboratory↗
DOE OSTI2016

Measurements of impurity concentrations and transport in the Lithium Tokamak Experiment

This thesis presents new measurements of core impurity concentrations and transport in plasmas with lithium coatings on all-metal plasma facing components (PFCs) in the Lithium Tokamak Experiment (LTX). LTX is a modest-sized spherical tokamak uniquely capable of operating with large area solid and/or liquid lithium coatings essentially surrounding the entire plasma (as opposed to just the divertor or limiter region in other devices). Lithium (Li) wall-coatings have improved plasma performance and confinement in several tokamaks with carbon (C) PFCs, including the National Spherical Torus Experiment (NSTX). In NSTX, contamination of the core plasma with Li impurities was very low (<0.1%) despite extensive divertor coatings. Low Li levels in NSTX were found to be largely due to neoclassical forces from the high level of C impurities. Studying impurity levels and transport with Li coatings on stainless steel surfaces in LTX is relevant to future devices (including future enhancements to NSTX-Upgrade) with all-metal PFCs. The new measurements in this thesis were enabled by a refurbished Thomson scattering system and improved impurity spectroscopy, primarily using a novel visible spectrometer monitoring several Li, C, and oxygen (O) emission lines. A simple model was used to account for impurities in unmeasured charge states, assuming constant density in the plasma core and constant concentration in the edge. In discharges with solid Li coatings, volume averaged impurity concentrations were low but non-negligible, with~2-4% Li, ~0.6-2% C, ~0.4-0.7% O, and Z_eff<1.2. Transport was assessed using the TRANSP, NCLASS, and MIST codes. Collisions with the main H ions dominated the neoclassical impurity transport, unlike in NSTX, where collisions with C dominated. Furthermore, neoclassical transport coefficients calculated with NCLASS were similar across all impurity species and differed no more than a factor of two, in contrast to NSTX where they differed by an order of magnitude. However, time-independent simulations with MIST indicated that unlike NSTX, neoclassical theory did not fully capture the impurity transport and anomalous transport likely played a significant role in determining impurity profiles.

Lithium plasma facing components↗
DOE OSTI2018

Mn4+/Zn2+:YAG glass ceramic for light emitting devices

Highlights: • Luminescence of Mn{sup 4+}:YAG red phosphor was enhanced via Zn{sup 2+} doping. • Mn{sup 4+}/Zn{sup 2+}:YAG GC was successfully prepared via one-step low temperature co-sintering technique. • A series of lighting device was achieved by coupling the Mn{sup 4+}/Zn{sup 2+}:YAG GC with the commercial blue chips and Ce{sup 3+}:LuAG GC. - Abstract: The rare-earth-free Mn{sup 4+}-activated oxide red phosphors draw great attention for their potential applications in the field of light-emitting diodes (LEDs). In this work, the red-emitting Mn{sup 4+}/Zn{sup 2+}:Y{sub 3}Al{sub 5}O{sub 12} phosphor, showing strong red emission peaked at ∼ 672 nm as a result of the spin-forbidden {sup 2}E{sub 2g} → {sup 4}A{sub 2g} electron transition of Mn{sup 4+} ions under 478 nm excitation, was synthesized by a traditional solid-state reaction route in air. The microstructure and luminescent performance of this red-emission phosphor was investigated in detail. From the experimentally measured spectroscopic data, the crystal field strength (Dq) and the Racah parameters B and C were calculated, respectively. In addition, Zn{sup 2+} dopant was found to be beneficial for enhancing Mn{sup 4+} luminescence. Subsequently, Mn{sup 4+}/Zn{sup 2+}:YAG glass ceramic was successfully prepared via using Mn{sup 4+}/Zn{sup 2+}:YAG phosphors incorporated into tellurate glass. A tunable lighting device was successfully achieved by coupling the red-emitting Mn{sup 4+}/Zn{sup 2+}:YAG GC with the commercial blue chips and Ce{sup 3+}:Lu{sub 3}Al{sub 5}O{sub 12} GC.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Eu 2+ -doped M 2 SiO 4 (M = Ca, Ba) phosphors prepared by a rapid microwave-assisted sol-gel method: Phase formation and optical properties

We present a rapid microwave-assisted approach for the preparation of Eu 2+ -doped orthosilicate phosphors. The preparation method relies on a citrate based sol–gel reaction with subsequent combustion in a domestic microwave oven, in contrast to more conventional solid-state methods. This sol–gel pathway yields phase pure, high quality orthosilicates, in less than 25 min of final heating time. In addition, superior morphology control is achieved employing the sol–gel method compared to solid-state preparations. In order to understand the formation process of the final products, thermogravimetric analyses and temperature-dependent X-ray diffraction data were acquired and compared to the conventional solid-state preparation. The morphology and elemental composition of the obtained luminescent materials were investigated using scanning electron microscopy and energy-dispersive X-ray spectroscopy. The optical properties were elucidated by measuring room-temperature emission and excitation spectra, and the application and efficiency of the obtained phosphors in LED devices was studied.

Birkel, Alexander↗
DOE OSTI2022

A 4 kV/120 A SiC Solid-State DC Circuit Breaker Powered By a Load-Independent IPT System

This article introduces a 4 kV/120 A solid-state dc circuit breaker (DCCB) based on discrete SiC mosfets. The DCCB is designed in a five-layer tower structure. Each layer consists of a circular main conduction branch and an attached gate driver. There are two primary benefits of the proposed DCCB. First, it reduces conduction loss with multiple devices in parallel. Second, it achieves an ultrafast response speed with SiC mosfets. Moreover, the gate drivers of the DCCB are powered by a domino inductive power transfer (IPT) system. It achieves the load-independent constant-voltage output characteristics, which means the outputs are immune to load variations. Additionally, an IPT system prototype is implemented to test the power transfer performance. At 500-kHz frequency, the total output power reaches 15.73 W, which is sufficient to power on five gate drivers, with a peak transfer efficiency of 75.4%. The IPT system is tested to power a 4 kV/120 A DCCB prototype. It validates that the DCCB is effective to turn off 120 A current within 3.5 μs.

42 ENGINEERING↗
DOE OSTI2017

Numerical Analysis of 2-D and 3-D MHD Flows Relevant to Fusion Applications

Here, the analysis of many fusion applications such as liquid-metal blankets requires application of computational fluid dynamics (CFD) methods for electrically conductive liquids in geometrically complex regions and in the presence of a strong magnetic field. A current state of the art general purpose CFD code allows modeling of the flow in complex geometric regions, with simultaneous conjugated heat transfer analysis in liquid and surrounding solid parts. Together with a magnetohydrodynamics (MHD) capability, the general purpose CFD code will be a valuable tool for the design and optimization of fusion devices. This paper describes an introduction of MHD capability into the general purpose CFD code CFX, part of the ANSYS Workbench. The code was adapted for MHD problems using a magnetic induction approach. CFX allows introduction of user-defined variables using transport or Poisson equations. For MHD adaptation of the code three additional transport equations were introduced for the components of the magnetic field, in addition to the Poisson equation for electric potential. The Lorentz force is included in the momentum transport equation as a source term. Fusion applications usually involve very strong magnetic fields, with values of the Hartmann number of up to tens of thousands. In this situation a system of MHD equations become very rigid with very large source terms and very strong variable gradients. To increase system robustness, special measures were introduced during the iterative convergence process, such as linearization using source coefficient for momentum equations. The MHD implementation in general purpose CFD code was tested against benchmarks, specifically selected for liquid-metal blanket applications. Results of numerical simulations using present implementation closely match analytical solutions for a Hartmann number of up to 1500 for a 2-D laminar flow in the duct of square cross section, with conducting and nonconducting walls. Results for a 3-D test case are also included.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

AC to AC Solid State Transformer with Bidirectional Switches

This report details the work of the 3-year project for the AC-to-AC Solid State Transformer with Bidirectional Switches project devoted to developing and demonstrated a Type I Solid State Transformer. This report details the design, fabrication, and evaluation of both three-phase and single-phase versions of this solid state transformer operating as a single module, modules in parallel, and modules in cascade. Additionally, this report details the fabrication and evaluation of custom Silicon Carbide bidirectional switches to enable this topology with a comparison between monolithically integrated bidirectional switches as well as co-packaged back-to-back unidirectional devices. Finally, results for custom-fabricated Fe 4 N/ferrite laminated toroidal cores for high frequency transformers are present.

42 ENGINEERING↗