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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 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Proton-enabled biomimetic stabilization of small-molecule organic cathode in aqueous zinc-ion batteries

Small-molecule organic cathode materials offer flexible structural design features, high capacity and sustainable production. Nonetheless, the stability decrease due to the high solubility of the electrode materials especially under electrochemical cycling conditions limits their wide-range applications in energy storage technologies. Here we describe a nature-inspired strategy to address cathode stability via introduction of transient vinylogous amide hydrogen bond networks into the small-molecule organic electrode material hexaazatrianthranylene (HATA) embedded quinone (HATAQ). Thanks to the proton-enabled biomimetic mechanism, HATAQ exhibits unparalleled cycling stability, ultra-high capacity and rate capability in aqueous zinc-ion batteries, delivering 492 mA h g -1 at 50 mA g -1 and a reversible capacity of 199 mA h g -1 , corresponding to 99% retention at 20 A g -1 after 1000 cycles.

25 ENERGY STORAGE↗
DOE OSTI2024

Bridging the gap between academic research and industrial development in advanced all-solid-state lithium–sulfur batteries

The energy storage and vehicle industries are heavily investing in advancing all-solid-state batteries to overcome critical limitations in existing liquid electrolyte-based lithium-ion batteries, specifically focusing on mitigating fire hazards and improving energy density. All-solid-state lithium–sulfur batteries (ASSLSBs), featuring earth-abundant sulfur cathodes, high-capacity metallic lithium anodes, and non-flammable solid electrolytes, hold significant promise. Despite these appealing advantages, persistent challenges like sluggish sulfur redox kinetics, lithium metal failure, solid electrolyte degradation, and manufacturing complexities hinder their practical use. Further, to facilitate the transition of these technologies to an industrial scale, bridging the gap between fundamental scientific research and applied R&D activities is crucial. Our review will address the inherent challenges in cell chemistries within ASSLSBs, explore advanced characterization techniques, and delve into innovative cell structure designs. Furthermore, we will provide an overview of the recent trends in R&D and investment activities from both academia and industry. Building on the fundamental understandings and significant progress that has been made thus far, our objective is to motivate the battery community to advance ASSLSBs in a practical direction and propel the industrialized process.

25 ENERGY STORAGE↗
DOE OSTI2024

Porous liquids: an integrated platform for gas storage and catalysis

Porous liquids (PLs) represent a new frontier in materials design, combining the unique features of fluidity in liquids and permanent porosity in solids. By engineering well-defined pores into liquids via designed structure modification techniques, the greatly improved free volume significantly enhances the gas transport and storage capability of PL sorbents. Triggered by the promising applications of PLs in gas separation, PLs are further explored in catalysis particularly to integrate the gas storage and catalytic transformation procedure. This emerging field has demonstrated promising progress to advance catalytic procedures using PLs as catalysts, with performance surpassing that of the pure liquid and porous host counterparts. In this perspective article, the recent discoveries and progress in the field of integrated gas storage and catalysis by leveraging the PL platforms will be summarized, particularly compared with the traditional homogeneous or heterogeneous catalytic procedures. The unique features of PLs endow them with combined merits from liquid and solid catalysts and beyond which will be illustrated first. This will be followed by the unique techniques being utilized to probe the porosity and active sites in PLs and the structural evolution during the catalytic procedures. The catalytic application of PLs will be divided by the reaction categories, including CO 2 -involving transformation, O 2 -involving reaction, H 2 S conversion, hydrogenation reaction, and non-gas involving cascade reactions. In each reaction type, the synthesis approaches and structure engineering techniques of PLs, structure characterization, catalytic performance evaluation, and reaction mechanism exploration will be discussed, highlighting the structure–performance relationship and the advancement benefiting from the unique features of PLs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Synthesis and characterization of 5,15-bis(hydroxymethyl)porphyrins – simple compounds distantly inspired by the chlorosomal bacteriochlorophylls

A self-assembly paradigm is provided in green photosynthetic bacteria by the chlorin macrocycle bacteriochlorophyll (BChl) c, which contains a 3-(1-hydroxyethyl) substituent, central magnesium ion, and 13-keto group. The assembled BChl c structure is a powerful light-harvesting apparatus that can support life even under extreme low-light conditions. Here, inspired by the work of Balaban, two far simpler porphyrins have been synthesized, 5,15-bis(hydroxymethyl)-10,20-diphenylporphinatozinc(II) (Ph/CH 2 OH) and 5,15-bis(hydroxymethyl)porphinatozinc(II) (H/CH 2 OH), and analogues wherein ethyl replaces hydroxymethyl (Ph/Et and H/Et). Examination of Ph/CH 2 OH and H/CH 2 OH by time-resolved spectroscopy showed an ∼2-fold enhancement in the singlet excited-state lifetime compared to meso-tetraphenylporphinatozinc(II) (ZnTPP). The single-crystal X-ray diffraction revealed distinct packing patterns. Porphyrin Ph/CH 2 OH exhibited double staircases wherein (1) each zinc is pentacoordinate (by apical coordination of one hydroxymethyl group of a porphyrin in the same staircase), (2) the second hydroxymethyl group is hydrogen-bonded to an apically coordinated hydroxymethyl oxygen atom in the adjacent staircase, (3) the porphyrins in a given staircase are coplanar but cofacially offset with each other, and (4) the adjacent staircases are oriented approximately 72° relative to each other. Porphyrin H/CH 2 OH assembled wherein (1) each zinc is hexacoordinate by ligation of hydroxymethyl moieties, (2) each hydroxymethyl –OH is hydrogen-bonded with an acetonitrile solvent molecule in the lattice, and (3) the planes of the four nearest neighbor porphyrins are essentially perpendicular to a given porphyrin. Study of the solid-state packing patterns of sparsely substituted porphyrins enables insights into how the structural design of tetrapyrroles can guide their aggregate self-assembly.

Tran, Vy-Phuong [North Carolina State University, ↗
DOE OSTI2019

InP AAC for data compression applications

The authors propose a 2 × 2 asymmetric adiabatic coupler (AAC) indium phosphide (InP) photonic integrated circuit (PIC), suitable for tunable power applications such as all‐optical data processing. The device was idealised as the key building block in Haar transform network used for image compression, allowing to perform the necessary separate addition and subtraction of incoming input signals at its output ports. The tunable behaviour of the coupler was demonstrated experimentally for addition/subtraction and splitting (with experimental coupling ratios of 77:23/14:86 and 50:50, respectively) through phase control. The use of the developed InP PIC enables a low footprint structure design together with the high‐quality active components (lasers, photodetectors and phase modulators) of Fraunhofer Gesellschaft Heinrich Hertz Institute design toolkit. The proposed study provides a full experimental characterisation of the AAC, exploring its tuning properties and enabling further usage in a plethora of applications in high processing computing and data communications.

Pinho, Cátia↗
DOE OSTI2011

A compact post-acceleration scheme for laser-generated protons

Protons generated by irradiating a thin metal foil with a high-intensitylaser have shown to posses interesting characteristics in terms of energy, emittance, current, and pulse duration. Therefore, in the near future, they might become a competitive source with respect to conventional proton sources. Previous theoretical, numerical, and experimental studies have already demonstrated efficient coupling between laser-accelerated proton beams with traditional radio frequency (RF)-based particle accelerators. These hybrid proton accelerators benefit from both the excellent properties of the laser-based source and the flexibility, reliability, and know-how of beam handling as provided by RF-based accelerator structures. In this paper, state of the art experimental results of laser-accelerated proton beams are used as input for a numerical study using compact and innovative conventional accelerator structures designed for medical applications. Results show that this compact hybrid accelerator allows even more efficient capture and acceleration of the laser-generated proton beam.

43 PARTICLE ACCELERATORS↗
DOE OSTI2012

Precise calibration of Mg concentration in Mg{sub x}Zn{sub 1-x}O thin films grown on ZnO substrates

The growth techniques for Mg{sub x}Zn{sub 1-x}O thin films have advanced at a rapid pace in recent years, enabling the application of this material to a wide range of optical and electrical applications. In designing structures and optimizing device performances, it is crucial that the Mg content of the alloy be controllable and precisely determined. In this study, we have established laboratory-based methods to determine the Mg content of Mg{sub x}Zn{sub 1-x}O thin films grown on ZnO substrates, ranging from the solubility limit of x {approx} 0.4 to the dilute limit of x < 0.01. For the absolute determination of Mg content, Rutherford backscattering spectroscopy is used for the high Mg region above x = 0.14, while secondary ion mass spectroscopy is employed to quantify low Mg content. As a lab-based method to determine the Mg content, c-axis length is measured by x-ray diffraction and is well associated with Mg content. The interpolation enables the determination of Mg content to x = 0.023, where the peak from the ZnO substrate overlaps the Mg{sub x}Zn{sub 1-x}O peak in standard laboratory equipment, and thus limits quantitative determination. At dilute Mg contents below x = 0.023, the localized exciton peak energy of the Mg{sub x}Zn{sub 1-x}O films as measured by photoluminescence is found to show a linear Mg content dependence, which is well resolved from the free exciton peak of ZnO substrate down to x = 0.0043. Our results demonstrate that x-ray diffraction and photoluminescence in combination are appropriate methods to determine Mg content in a wide Mg range from x = 0.004 to 0.40 in a laboratory environment.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

A W-band sixth-harmonic magnetron-type slotted peniotron

This paper has numerically investigated operating characteristics of a w-band six-harmonic magnetron-type slotted peniotron with 7 vanes. With the new structure design, a high efficiency of 40% w-band 30 kW medium power microwave source has been achieved and the mode competition can be somewhat suppressed. The main advantage of such a peniotron, based on a permanent magnet, is that it can have much more compact size and lower cost, and its operation gap can be greatly reduced.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

High yield neutron generators using the DD reaction

A product line of high yield neutron generators has been developed at Adelphi technology inc. The generators use the D-D fusion reaction and are driven by an ion beam supplied by a microwave ion source. Yields of up to 5 Multiplication-Sign 10{sup 9} n/s have been achieved, which are comparable to those obtained using the more efficient D-T reaction. The microwave-driven plasma uses the electron cyclotron resonance (ECR) to produce a high plasma density for high current and high atomic ion species. These generators have an actively pumped vacuum system that allows operation at reduced pressure in the target chamber, increasing the overall system reliability. Since no radioactive tritium is used, the generators can be easily serviced, and components can be easily replaced, providing essentially an unlimited lifetime. Fast neutron source size can be adjusted by selecting the aperture and target geometries according to customer specifications. Pulsed and continuous operation has been demonstrated. Minimum pulse lengths of 50 {mu}s have been achieved. Since the generators are easily serviceable, they offer a long lifetime neutron generator for laboratories and commercial systems requiring continuous operation. Several of the generators have been enclosed in radiation shielding/moderator structures designed for customer specifications. These generators have been proven to be useful for prompt gamma neutron activation analysis (PGNAA), neutron activation analysis (NAA) and fast neutron radiography. Thus these generators make excellent fast, epithermal and thermal neutron sources for laboratories and industrial applications that require neutrons with safe operation, small footprint, low cost and small regulatory burden.

43 PARTICLE ACCELERATORS↗
DOE OSTI2013

AlP/GaP distributed Bragg reflectors

Distributed Bragg reflectors with high reflectivity bands centered at wavelengths from 530 to 690 nm (green to red) based on AlP/GaP quarter-wave stacks are prepared on (001)GaP using gas-source molecular-beam epitaxy. Additionally, the complex refractive index of AlP is measured using spectroscopic ellipsometry within the range of 330-850 nm in order to facilitate an accurate reflector design. Structures consisting of 15 quarter-wave stacks reach a peak reflectance between 95% and 98%, depending on the spectral position of the maximum.

36 MATERIALS SCIENCE↗
DOE OSTI2013

64 μW pulsed terahertz emission from growth optimized InGaAs/InAlAs heterostructures with separated photoconductive and trapping regions

We present results on optimized growth temperatures and layer structure design of high mobility photoconductive Terahertz (THz) emitters based on molecular beam epitaxy grown In{sub 0.53}Ga{sub 0.47}As/In{sub 0.52}Al{sub 0.48}As multilayer heterostructures (MLHS). The photoconductive antennas made of these MLHS are evaluated as THz emitters in a THz time domain spectrometer and with a Golay cell. We measured a THz bandwidth in excess of 4 THz and average THz powers of up to 64 μW corresponding to an optical power-to-THz power conversion efficiency of up to 2 × 10{sup −3}.

36 MATERIALS SCIENCE↗
DOE OSTI2013

Growth, steady-state, and time-resolved photoluminescence study of CdTe/MgCdTe double heterostructures on InSb substrates using molecular beam epitaxy

CdTe/MgCdTe double heterostructures (DHs) are grown on InSb substrates using molecular beam epitaxy and reveal strong photoluminescence with over double the intensity of a GaAs/AlGaAs DH with an identical layer structure design grown on GaAs. Time-resolved photoluminescence of the CdTe/MgCdTe DH gives a Shockley-Read-Hall recombination lifetime of 86 ns, which is more than one order of magnitude longer than that of typical polycrystalline CdTe films. These findings indicate that monocrystalline CdTe/MgCdTe DHs effectively reduce surface recombination, have limited nonradiative interface recombination, and are promising for solar cells that could reach power conversion efficiencies similar to that of GaAs.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Ignition probability of polymer-bonded explosives accounting for multiple sources of material stochasticity

Accounting for the combined effect of multiple sources of stochasticity in material attributes, we develop an approach that computationally predicts the probability of ignition of polymer-bonded explosives (PBXs) under impact loading. The probabilistic nature of the specific ignition processes is assumed to arise from two sources of stochasticity. The first source involves random variations in material microstructural morphology; the second source involves random fluctuations in grain-binder interfacial bonding strength. The effect of the first source of stochasticity is analyzed with multiple sets of statistically similar microstructures and constant interfacial bonding strength. Subsequently, each of the microstructures in the multiple sets is assigned multiple instantiations of randomly varying grain-binder interfacial strengths to analyze the effect of the second source of stochasticity. Critical hotspot size-temperature states reaching the threshold for ignition are calculated through finite element simulations that explicitly account for microstructure and bulk and interfacial dissipation to quantify the time to criticality (t{sub c}) of individual samples, allowing the probability distribution of the time to criticality that results from each source of stochastic variation for a material to be analyzed. Two probability superposition models are considered to combine the effects of the multiple sources of stochasticity. The first is a parallel and series combination model, and the second is a nested probability function model. Results show that the nested Weibull distribution provides an accurate description of the combined ignition probability. The approach developed here represents a general framework for analyzing the stochasticity in the material behavior that arises out of multiple types of uncertainty associated with the structure, design, synthesis and processing of materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Analysis of InGaN light-emitting diodes with GaN-AlGaN and AlGaN-GaN composition-graded barriers

The effects of InGaN-based light-emitting diodes (LEDs) with Al composition increasing and decreasing GaN-AlGaN barriers along the growth direction are studied numerically. Simulation results suggest that the LEDs with GaN-AlGaN composition-decreased barriers show more significant enhancement of light-output power and internal quantum efficiency than LEDs with composition-increasing GaN-AlGaN barriers when compared with the conventional LED with GaN barriers, due to the improvement in hole injection efficiency and electron blocking capability. Moreover, the optical performance is further improved by replacing GaN-AlGaN barriers with AlGaN-GaN barriers of the same Al composition-decreasing range, which are mainly attributed to the modified band diagrams. In addition, the major causes of the different efficiency droop behaviors for all the designed structures are explained by the electron leakage current and the different increase rates of hole concentration with injection current.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Understanding the role of ultra-thin polymeric interlayers in improving efficiency of polymer light emitting diodes

Insertion of ultra-thin polymeric interlayers (ILs) between the poly(3,4-ethylenedioxythiophene):polystyrene sulphonate hole injection and poly(9,9-dioctylfluorene-alt-benzothiadiazole) (F8BT) light emission layers of polymer light emitting diodes (PLEDs) can significantly increase their efficiency. In this paper, we investigate experimentally a broad range of probable causes of this enhancement with an eye to determining which IL parameters have the most significant effects. The importance of hole injection and electron blocking was studied through varying the IL material (and consequently its electronic energy levels) for both PLED and hole-only diode structures. The role of IL conductivity was examined by introducing a varying level of charge-transfer doping through blending the IL materials with a strong electron-accepting small molecule in concentrations from 1% to 7% by weight. Depositing ILs with thicknesses below the exciton diffusion length of ∼15 nm allowed the role of the IL as a physical barrier to exciton quenching to be probed. IL containing PLEDs was also fabricated with Lumation Green Series 1300 (LG 1300) light emission layers. On the other hand, the PLEDs were modeled using a 3D multi-particle Kinetic Monte Carlo simulation coupled with an optical model describing how light is extracted from the PLED. The model describes charge carrier transport and interactions between electrons, holes, singlets, and triplets, with the current density, luminance, and recombination zone (RZ) locations calculated for each PLED. The model shows F8BT PLEDs have a narrow charge RZ adjacent to the anode, while LG 1300 PLEDs have a wide charge RZ that is evenly distributed across the light emitting layer. Varying the light emitting layer from F8BT to Lumation Green Series 1300, we therefore experimentally examine the dependence of the IL function, specifically in regard to anode-side exciton quenching, on the location of the RZ. We found an exponential dependence of F8BT PLED luminance on the difference, δ, in the highest occupied to lowest unoccupied molecular orbital energy gap between the light emitting polymer and a semiconducting polymeric IL, with δ consequently the most important parameter determining efficiency. Understanding the exponential effect that wider energy gap IL materials have on exciton quenching may allow δ to be used to better guide PLED structure design.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Dark current mechanism of terahertz quantum-well photodetectors

Dark current mechanisms of terahertz quantum-well photodetectors (THz QWPs) are systematically investigated experimentally and theoretically by measuring two newly designed structures combined with samples reported previously. In contrast to previous investigations, scattering-assisted tunneling dark current is found to cause significant contributions to total dark current. A criterion is also proposed to determine the major dark current mechanism at different peak response frequencies. We further determine background limited performance (BLIP) temperatures, which decrease both experimentally and theoretically as the electric field increases. This work gives good description of dark current mechanism for QWPs in the THz region and is extended to determine the transition fields and BLIP temperatures with response peaks from 3 to 12 THz.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Graphene induced remote surface scattering in graphene/AlGaN/GaN heterostructures

The mobilities of single-layer graphene combined with AlGaN/GaN heterostructures on two-dimensional electron gases in graphene/AlGaN/GaN double heterojunction are calculated. The impact of electron density in single-layer graphene is also studied. Remote surface roughness (RSR) and remote interfacial charge (RIC) scatterings are introduced into this heterostructure. The mobilities limited by RSR and RIC are an order of magnitude higher than that of interface roughness and misfit dislocation. This study contributes to designing structures for generation of higher electron mobility in graphene/AlGaN/GaN double heterojunction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

The roles of the dielectric constant and the relative level of conduction band of high-k composite with Si in improving the memory performance of charge-trapping memory devices

The memory structures Pt/Al{sub 2}O{sub 3}/(TiO{sub 2}){sub x}(Al{sub 2}O{sub 3}){sub 1−x}/Al{sub 2}O{sub 3}/p-Si(nominal composition x = 0.05, 0.50 and 0.70) were fabricated by using rf-magnetron sputtering and atomic layer deposition techniques, in which the dielectric constant and the bottom of the conduction band of the high-k composite (TiO{sub 2}){sub x}(Al{sub 2}O{sub 3}){sub 1−x} were adjusted by controlling the partial composition of Al{sub 2}O{sub 3}. With the largest dielectric constant and the lowest deviation from the bottom of the conduction band of Si, (TiO{sub 2}){sub 0.7}(Al{sub 2}O{sub 3}){sub 0.3} memory devices show the largest memory window of 7.54 V, the fast programming/erasing speed and excellent endurance and retention characteristics, which were ascribed to the special structural design, proper combination of dielectric constant and band alignment in the high-k composite (TiO{sub 2}){sub 0.7}(Al{sub 2}O{sub 3}){sub 0.3}.

36 MATERIALS SCIENCE↗