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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Optimized utilization of COMB3 reactive potentials in LAMMPS

An investigation to optimize the application of the third-generation charge optimized many-body (COMB3) interatomic potential and associated input parameters was carried out through the study of solid–liquid interactions in classical molecular dynamics simulations. The rates of these molecular interactions are understood through the wetting rates of water nano-droplets on a bare copper (111) surface. Implementing the Langevin thermostat, the influence of simulation time step, the number of atoms in the system, the frequency at which charge equilibration is performed, and the temperature relaxation rate are all examined. The results indicate that time steps of 0.4 fs are possible when using longer relaxation times for the system temperature, which is almost double the typical time step used for reactive potentials. Additionally, the use of the charge equilibration allows for a fewer atomic layers to be used in the Cu slab. In addition, charge equilibrium schemes do not need to be performed every time step to ensure accurate charge transfer. Interestingly, the rate of wetting for the nanodroplets is dominantly dependent on the temperature relaxation time, which is predicted to significantly change the viscosity of the water droplets. This work provides a pathway for optimizing simulations using the COMB3 reactive interatomic potential.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Cryogenic spatial–temporal imaging of surface photocarrier dynamics in MAPbI 3 films at the single grain level

We use cryogenic spatial–temporal photoluminescence (PL) imaging measurements down to 10 K and with short-wavelength, 405 nm laser excitation to study surface charge generation, trapping, and recombination at single bright and dark grains as well as their boundaries in model methylammonium lead iodide (MAPbI 3 ) polycrystalline thin films. These salient conditions are shown to be critical for identifying both the detrimental and cooperative roles of grain microstructures where the dark grains serve as the PL quenching center, while the grain boundaries are largely benign and may promote electron–hole separation.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Light extraction in tandem organic light emitting diodes

Since the invention of organic light emitting diodes (OLEDs), great research efforts have been dedicated to improving their efficiency and lifetime. For high-brightness applications, tandem OLED structures have advantages because of the lower current densities required to achieve high brightness. With the successful development of highly efficient charge generation layers, high brightness tandem OLEDs are used in displays and lighting. However, the major challenge for tandem OLEDs is the low light extraction efficiency, because about 50% of the light is trapped inside the device as waveguide modes. In this Perspective, we first review the recent works done on light extraction, analyze different waveguide mode extraction structures, and then identify the key factors determining the extraction efficiencies in tandem OLEDs.

42 ENGINEERING↗
DOE OSTI2024

Performance analysis of photodetectors based on 2D materials and heterostructures

The unprecedented demand for sophisticated, self-powered, compact, ultrafast, cost-effective, and broadband light sensors for a myriad of applications has spurred a lot of research, precipitating in a slew of studies over the last decade. Apart from the photosensing ability of an active element in the light sensor, the device architecture is crucial in terms of photoinduced charge carrier generation and separation. Since the inception of graphene and the subsequent research growth in the atomically thin 2D materials, researchers have developed and adapted different families of 2D materials and device architectures, including single element 2D, 0D/2D, 2D/2D, 1D/2D stacked structures, and so on. Here this review discusses the recent reports on the light-sensing properties of various 2D materials, their heterostructures, and characteristics applicable to the ultraviolet-near infrared (UV-NIR), short-wave IR (SWIR), mid-wave IR (MWIR), long-wave IR (LWIR), and terahertz (THz) spectral ranges. It highlights the novelty of the burgeoning field, the heightened activity at the boundaries of engineering and materials science, particularly in the generation of charge carriers, their separation, and extraction, and the increased understanding of the underpinning science through modern experimental approaches. Devices based on the simultaneous effects of the pyro-phototronic effect (PPE) and the localized surface plasmon resonance (LSPR) effect, the photothermoelectric effect (PTE)-assisted photodetectors (PDs), waveguide-integrated silicon-2D PDs, metal-2D-metal PDs, and organic material PDs are examined rigorously. Theoretical treatment utilizing various computational approaches to investigate 2D materials and heterostructures for photodetection applications is also briefly discussed. At the end, current challenges and solutions to enhance the figures of merit of photodetectors are proposed.

2D transition metal chalcogenides↗
DOE OSTI2025

Towards a quantum realization of the ampere using single-electron resolution Skipper-CCDs

This paper presents a proof-of-concept demonstration of the Skipper-charge coupled device (CCD), a sensor with single-electron counting capability, as a promising technology for implementing an electron-pump-based current source. Relying on its single-electron resolution and built-in charge sensing, it allows self-calibration of the charge packets. This article presents an initial discussion of the uncertainty in the charge measurement and achievable currents levels with this technology. Here, we report experimental results that illustrate the key functionalities in manipulating both small and large electron charge packets, including a comparison of the charge generated, self-measured, and drained by the sensor against measurements from an electrometer. These results were obtained using a standard sensor and readout electronics without specific optimizations for this application. The objective is to explore the potential of Skipper-CCD for realizing an electron-based current source.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

A method to determine the electric field of liquid argon time projection chambers using a UV laser system and its application in MicroBooNE

Liquid argon time projection chambers (LArTPCs) are now a standard detector technology for making accelerator neutrino measurements, due to their high material density, precise tracking, and calorimetric capabilities. An electric field (E-field) is required in such detectors to 2020 JINST 15 P07010 drift ionization electrons to the anode where they are collected. The E-field of a TPC is often approximated to be uniform between the anode and the cathode planes. However, significant distortions can appear from effects such as mechanical deformations, electrode failures, or the accumulation of space charge generated by cosmic rays. The latter effect is particularly relevant for detectors placed near the Earth’s surface and with large drift distances and long drift time. To determine the E-field in situ, an ultraviolet (UV) laser system is installed in the MicroBooNE experiment at Fermi National Accelerator Laboratory. The purpose of this system is to provide precise measurements of the E-field, and to make it possible to correct for 3D spatial distortions due to E-field non-uniformities. Here we describe the methodology developed for deriving spatial distortions, the drift velocity and the E-field from UV-laser measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Ultra-Fast 4H-SiC LGAD With Etched Termination and Field Plate

The design, fabrication, and demonstration of a novel Silicon Carbide Low Gain Avalanche Detector (4HSiC LGAD), exhibiting an ultra-fast time response and excellent time resolution, are reported. Here, the use of field plates is proposed to suppress the high electric field caused by the negative bevel-etched angle in 4H-SiC LGADs based on TCAD simulations. Experimental measurements confirm that the field plate significantly increases the breakdown voltage of the 4H-SiC LGADs. Gain and time resolution are measured by using the ultraviolet transient current technique (UV-TCT) showing that 4H-SiC LGADs possess excellent timing performance, with a time resolution better than 35 ps for the injected laser signal with single minimum ionizing particle (MIP) charges generation at room temperature. Additionally, the gain suppression effect in a 4H-SiC LGAD is observed for the first time.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Test and characterization of finely segmented pixel CZT detectors for future hard x-ray missions

The NuSTAR (Nuclear Spectroscopic Telescope Array) mission was launched in 2012, and it has successfully deployed the first orbiting telescopes to focus high energy X-ray (3 - 79 keV) light, providing a wealth of new information on high-energy X-rays sources. Follow-up missions, such as the proposed HEX-P, BEST, and FORCE, could perform a deeper black hole census providing a more refined measurement of black hole spins, allowing for greater knowledge about supermassive black holes. Here, these missions are motivated by the recent breakthroughs in the hard X-ray mirror technologies, where mirrors, either made of monolithic silicon segments, or made directly or via replication of shells, demonstrate the feasibility of making hard X-ray mirrors with angular resolutions of 5-10 arc-seconds Half Power Diameter (HPD) compared to the NuSTAR’s 1 arc-minute HPD. Such a high angular resolution requires matched detectors with higher degree of segmentation to fully benefit from the achievable improved spatial resolution. In the above framework, the HEXID ASIC, a novel pixelated front-end suitable for reading out a finely segmented CZT sensor with 150 μm pixel pitch in a hexagonal arrangement has been developed. This readout pixelated chip is capable of processing photon-generated charge packets over a large dynamic range (from 2 keV up to 180 keV), while keeping a low input noise (ENC <20 e - ). In this work, the initial characterization of the ASIC prototype will be presented.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Imaging elliptically polarized infrared near-fields on nanoparticles by strong-field dissociation of functional surface groups

Abstract We investigate the strong-field ion emission from the surface of isolated silica nanoparticles aerosolized from an alcoholic solution, and demonstrate the applicability of the recently reported near-field imaging at 720 nm [Rupp et al., Nat. Comm., 10(1):4655, 2019] to longer wavelength (2 $$\mu $$ μ m) and polarizations with arbitrary ellipticity. Based on the experimental observations, we discuss the validity of a previously introduced semi-classical model, which is based on near-field driven charge generation by a Monte-Carlo approach and classical propagation. We furthermore clarify the role of the solvent in the surface composition of the nanoparticles in the interaction region. We find that upon injection of the nanoparticles into the vacuum, the alcoholic solvent evaporates on millisecond time scales, and that the generated ions originate predominantly from covalent bonds with the silica surface rather than from physisorbed solvent molecules. These findings have important implications for the development of future theoretical models of the strong-field ion emission from silica nanoparticles, and the application of near-field imaging and reaction dynamics of functional groups on isolated nanoparticles. Graphical abstract

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Argonne-Northwestern Solar Energy Research Center (08/01/2009-07/31/2018) and renamed Center for Light Energy Activated Redox Processes (LEAP) (Final Report)

In 2009-2014 the ANSER Center focused on understanding how molecules, materials, and systems can use sunlight to generate charges that drive catalysts for solar fuels formation and directly power photovoltaic cells. We addressed a common set of fundamental questions that must be answered in both contexts to successfully utilize sunlight as a renewable energy source for fuels and electricity. By attacking the common questions intrinsic to solar fuels and electricity in the same research center, ANSER provided opportunities for cross-cutting solutions not possible by addressing only fuels or electricity alone.

14 SOLAR ENERGY↗
DOE OSTI2022

Design Rules of the Mixing Phase and Impacts on Device Performance in High-Efficiency Organic Photovoltaics

In nonfullerene acceptor- (NFA-) based solar cells, the exciton splitting takes place at both domain interface and donor/acceptor mixture, which brings in the state of mixing phase into focus. The energetics and morphology are key parameters dictating the charge generation, diffusion, and recombination. It is revealed that tailoringthe electronic properties of the mixing region by doping with larger-bandgap components could reduce the density of state but elevate the filling state level, leading to improved open-circuit voltage ( V OC ) and reduced recombination. The monomolecular and bimolecular recombinations are shown to be intercorrelated, which show a Gaussian-like relationship with V OC and linear relationship with short-circuit current density ( J SC ) and fill factor (FF). The kinetics of hole transfer and exciton diffusion scale with J SC similarly, indicating the carrier generation in mixing region and crystalline domain are equally important. From the morphology perspective, the crystalline order could contribute to V OC improvement, and the fibrillar structure strongly affects the FF. These observations highlight the importance of the mixing region and its connection with crystalline domains and point out the design rules to optimize the mixing phase structure, which is an effective approach to further improve device performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Compact radiation detector

Apparatus for detecting radiation includes a sensor medium disposed within a cavity in a silicon-based substrate. An electrode arrangement is provided for collecting charge generated within the sensor medium by interactions with impinging radiation and drifted through the sensor medium. The electrode arrangement is constituted, in part, by a silicon portion of the substrate that is doped to increase its electrical conductivity and that defines part of the cavity wall.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Spin Hydrodynamic Generation in the Charged Subatomic Swirl

Recently there have been signifcant interests in the spin hydrodynamic generation phenomenon from multiple disciplines of physics. Such phenomenon arises from global polarization efect of microscopic spin by macroscopic fuid rotation and is expected to occur in the hot quark-gluon fuid (the “subatomic swirl”) created in relativistic nuclear collisions. This was indeed discovered in experiments which however revealed an intriguing puzzle: a polarization diference between particles and anti-particles. We suggest a novel application of a general connection between rotation and magnetic feld: a magnetic feld naturally arises along the fuid vorticity in the charged subatomic swirl. We establish this mechanism as a new way for generating long-lived in-medium magnetic feld in heavy ion collisions. Due to its novel feature, this new magnetic feld provides a nontrivial explanation to the puzzling observation of a diference in spin hydrodynamic generation for particles and anti-particles in heavy ion collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Characterization of Spurious Charge in SENSEI Skipper-CCDs

Skipper Charge-Coupled Devices (Skipper-CCDs) are a leading technology in the search for sub-GeV dark matter and coherent elastic neutrino-nucleus scattering. A key background for rare-event searches with these detectors arises from "spurious charge" -- single-electron events generated when charges are transferred through the active region to the serial register, and across the serial register to the readout stage. We present a characterization of spurious charge in both the active region and the serial register of SENSEI Skipper-CCDs, and show that, in a well-shielded low-background environment, the dominant contribution originates in the serial register during Skipper readout, when horizontal clocks are held at constant voltage between pixel transfers. Motivated by this finding, we develop a "tri-level" clocking scheme in which the held-low phase is raised to an intermediate voltage during readout to suppress trap-mediated charge generation. Using the SENSEI detector near the MINOS cavern, we measure a serial-register single-electron density of $(2.9 \pm 0.1) \times 10^{-5}$ electrons/pixel/image under standard SENSEI readout conditions, reduced to $(4.0 \pm 0.4) \times 10^{-6}$ electrons/pixel/image with tri-level clocking -- a factor of $\sim$7 improvement. This technique offers a promising path to lower backgrounds in current and future Skipper-CCD experiments.

Wu, Yikai [YITP, Stony Brook; SUNY, Stony Brook]↗
DOE OSTI2022

Development of planar P-type point contact germanium detectors for low-mass dark matter searches

The detection of low-energy deposition in the range of sub-eV through ionization using germanium (Ge) with a bandgap of ~ 0.7 eV requires internal amplification of the charge signal. This can be achieved through high electric field that accelerates charge carriers, which can then generate more charge carriers. The minimum electric field required to generate internal charge amplification is derived for different temperatures. We report the development of a planar point contact Ge detector in terms of its fabrication and the measurements of its leakage current and capacitance as a function of applied bias voltage. With the determination of the measured depletion voltage, the field distribution is calculated using GeFiCa, which predicts that the required electric field for internal charge amplification can be achieved in proximity to the point contact. The energy response to an Am-241 source is characterized and discussed. We conclude that such a detector with internal charge amplification can be used to search for low-mass dark matter.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dephasing in Fluxonium Qubits from Coherent Quantum Phase Slips

Phase slips occur across all Josephson junctions (JJs) at a rate that increases with the impedance of the junction. In superconducting qubits composed of JJ-array superinductors—such as fluxonium—phase slips in the array can lead to decoherence. In particular, phase-slip processes at the individual array junctions can coherently interfere, each with an Aharonov-Casher phase that depends on the offset charges of the array islands. These coherent quantum phase slips (CQPS) perturbatively modify the qubit frequency, and therefore charge noise on the array islands will lead to dephasing. By varying the impedance of the array junctions, we design a set of fluxonium qubits in which the expected phase-slip rate within the JJ array changes by several orders of magnitude. We characterize the coherence times of these qubits and demonstrate that the scaling of CQPS-induced dephasing rates agrees with our theoretical model. Furthermore, we perform noise spectroscopy of two qubits in regimes dominated by either CQPS or flux noise. We find that the noise power spectrum associated with CQPS dephasing appears to be featureless at low frequencies and not 1 / f . Numerical simulations indicate that this behavior is consistent with charge noise generated by charge-parity fluctuations within the array. Our findings broadly inform JJ-array-design trade-offs, relevant for the numerous superconducting-qubit designs employing JJ-array superinductors. Published by the American Physical Society 2024

Physics↗
DOE OSTI2023

Pulse compression photoconductive semiconductor switches

A photoconductive switch that uses materials that support negative differential mobility, whose operation leverages the pulse compression of a charge could to generate the “on” time of the pulse in combination with the speed of light to generate the “off” time of the pulse, is described. In one example, a method of operating a photoconductive switch, which includes two electrodes and a light absorbing material positioned therebetween, includes selecting a value for one or more parameters comprising a voltage for generation of an electric field, a spot size of a laser pulse, a temporal pulse width of the laser pulse, or an intensity of the laser pulse, wherein the selected value(s) for the one or more parameters enable the switch to operate in a region where the light absorbing material exhibits negative differential mobility, and illuminating the light absorbing material with the laser pulse to generate a charge cloud within the light absorbing material.

Voss, Lars F.↗
DOE OSTI2021

Direct observation of charge separation in an organic light harvesting system by femtosecond time-resolved XPS

The ultrafast dynamics of photon-to-charge conversion in an organic light-harvesting system is studied by femtosecond time-resolved X-ray photoemission spectroscopy (TR-XPS) at the free-electron laser FLASH. This novel experimental technique provides site-specific information about charge separation and enables the monitoring of free charge carrier generation dynamics on their natural timescale, here applied to the model donor-acceptor system CuPc:C 60 . A previously unobserved channel for exciton dissociation into mobile charge carriers is identified, providing the first direct, real-time characterization of the timescale and efficiency of charge generation from low-energy charge-transfer states in an organic heterojunction. The findings give strong support to the emerging realization that charge separation even from energetically disfavored excitonic states is contributing significantly, indicating new options for light harvesting in organic heterojunctions.

14 SOLAR ENERGY↗