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At least 163 records · Page 9

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DOE OSTI2024

Excitonic Shockley-Read-Hall recombination in organic semiconductors

Trap-mediated recombination influences the performance of a wide range of electronic devices. The well-known Shockley-Read-Hall (SRH) expression for inorganic semiconductors is often invoked to describe the recombination rate in organic materials, although without a clear understanding of how its parameters relate to the underlying material properties or how it should be modified to account for the finite lifetime of exciton intermediates in, for example, the doped emissive layer of an organic light-emitting diode (OLED). Here, we formalize SRH recombination for organic semiconductors based on diffusive trapping and Langevin recombination. We show that including the exciton state suppresses the recombination rate in host-guest systems with type II energy level alignment whenever the interfacial gap between the host and guest molecular orbitals is comparable to the exciton energy. Furthermore, these results quantify the balance between bimolecular and trap-mediated recombination in doped OLED emissive layers, and indicate that devices with type II host-guest pairings can, in principle, beat the thermodynamic limit of their neat guest counterparts.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Total-Ionizing-Dose Effects on Read Noise of MLC 3-D NAND Memories T

This paper analyzes the total ionizing dose (TID) effects on noise characteristics of commercial multi-level-cell (MLC) 3-D NAND memory technology during the read operation. Additionally, the chips were exposed to a Co-60 gamma-ray source for up to 100 krad(Si) of TID. We find that the number of noisy cells in the irradiated chip increases with TID. Bit-flip noise was more dominant for cells in an erased state during irradiation compared to programmed cells.

3-D NAND Flash↗

DOE OSTI2021

Spherical fitting for oscilloscope film trace reading

This report describes a spherical fitting algorithm that can be used for estimating the oscilloscope film trace coordinates. This algorithm was adopted from a least square algebraic spherical fitting algorithm developed by the author earlier for photovoltaic velocimetry applications. Preliminary assessment suggests that the algorithm may be used for optimizing the coordinates manually digitized by the user, or may be used as an uncertainty estimator for the user’s film reading uncertainties.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2024

Electronic Public Reading Room (EPRR) Guide (V.4)

The Electronic Public Reading Room (EPRR) contains Los Alamos National Laboratory (LANL) documents required for compliance with environmental regulations and permits. Other documents that deal with environmental issues are included in EPRR.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

DOE OSTI2013

Phasing Variants in Poplar Trees using a Hybrid of Short & Long Read Technologies

Poplar grow throughout the West coast & are adapted to extremely variable conditions. To examine what allows for this wide range of growth conditions, Jerry Tuskan's team has collected 1000 different individuals from British Columbia to California. In 2009, three Common Gardens were established where each individual was cloned in triplicate. Nearly all of these trees have been sequenced using short read technology, revealing a huge degree of variation in genotype. Correlating this genomic variation to phenotype would be greatly be strengthened if the variants could be phased into long haplotype blocks.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2018

SLAC Microresonator Radio Frequency (SMuRF) Electronics for Read Out of Frequency-Division-Multiplexed Cryogenic Sensors

Large arrays of cryogenic sensors for various imaging applications ranging across x-ray, gamma-ray, cosmic microwave background, mm/sub-mm, as well as particle detection increasingly rely on superconducting microresonators for high multiplexing factors. These microresonators take the form of microwave SQUIDs that couple to transition-edge sensors or microwave kinetic inductance detectors. In principle, such arrays can be read out with vastly scalable software-defined radio using suitable FPGAs, ADCs and DACs. In this work, we share plans and show initial results for SLAC Microresonator Radio Frequency (SMuRF) electronics, a next-generation control and readout system for superconducting microresonators. SMuRF electronics are unique in their implementation of specialized algorithms for closed-loop tone tracking, which consists of fast feedback and feedforward to each resonator’s excitation parameters based on transmission measurements. Closed-loop tone tracking enables improved system linearity, a significant increase in sensor count per readout line, and the possibility of overcoupled resonator designs for enhanced dynamic range. Low-bandwidth prototype electronics were used to demonstrate closed-loop tone tracking on twelve 300-kHz-wide microwave SQUID resonators, spaced at ~ 6 MHz with center frequencies ~ 5–6 GHz. We achieve multi-kHz tracking bandwidth and demonstrate that the noise floor of the electronics is subdominant to the noise intrinsic in the multiplexer.

47 OTHER INSTRUMENTATION↗

DOE OSTI2017

MS/MS-Assisted Design of Sequence-Controlled Synthetic Polymers for Improved Reading of Encoded Information

In order to improve their MS/MS sequencing, structure of sequence-controlled synthetic polymers can be optimized based on considerations regarding their fragmentation behavior in collision-induced dissociation conditions, as demonstrated here for two digitally encoded polymer families. In poly(triazole amide)s, the main dissociation route proceeded via cleavage of the amide bond in each monomer, hence allowing the chains to be safely sequenced. However, a competitive cleavage of an ether bond in a tri(ethylene glycol) spacer placed between each coding moiety complicated MS/MS spectra while not bringing new structural information. Changing the tri(ethylene glycol) spacer to an alkyl group of the same size allowed this unwanted fragmentation pathway to be avoided, hence greatly simplifying the MS/MS reading step for such undecyl-based poly(triazole amide)s. In poly(alkoxyamine phosphodiester)s, a single dissociation pathway was achieved with repeating units containing an alkoxyamine linkage, which, by very low dissociation energy, made any other chemical bonds MS/MS-silent. Structure of these polymers was further tailored to enhance the stability of those precursor ions with a negatively charged phosphate group per monomer in order to improve their MS/MS readability. Increasing the size of both the alkyl coding moiety and the nitroxide spacer allowed sufficient distance between phosphate groups for all of them to be deprotonated simultaneously. Because the charge state of product ions increased with their polymerization degree, MS/MS spectra typically exhibited groups of fragments at one or the other side of the precursor ion depending on the original α or ω end-group they contain, allowing sequence reconstruction in a straightforward manner. .

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Translational control of Nrf2 within the open reading frame

Highlights: •Identification of a novel Nrf2 translational repression mechanism. •The repressor is within the 3′ portion of the Nrf2 ORF. •The translation of Nrf2 or eGFP is reduced by the regulatory element. •The translational repression can be reversed with synonymous codon substitutions. •The molecular mechanism requires the mRNA sequence, but not the encoded amino acids. -- Abstract: Nuclear Factor Erythroid 2-Related Factor 2 (Nrf2) is a transcription factor that is essential for the regulation of an effective antioxidant and detoxifying response. The regulation of its activity can occur at transcription, translation and post-translational levels. Evidence suggests that under environmental stress conditions, new synthesis of Nrf2 is required – a process that is regulated by translational control and is not fully understood. Here we described the identification of a novel molecular process that under basal conditions strongly represses the translation of Nrf2 within the open reading frame (ORF). This mechanism is dependent on the mRNA sequence within the 3′ portion of the ORF of Nrf2 but not in the encoded amino acid sequence. The Nrf2 translational repression can be reversed with the use of synonymous codon substitutions. This discovery suggests an additional layer of control to explain the reason for the low Nrf2 concentration under quiescent state.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2020

The effect of local chemical ordering on Frank-Read source activation in a refractory multi-principal element alloy

In this work, we investigate the operation of Frank-Read (FR) sources in a refractory multi-principal element alloy (MPEA). Simulations of discrete dislocation motion in MPEAs is enabled by the development of a phase field dislocation dynamics model that treats the atomic-scale fluctuations in lattice energies across the glide plane, present due to local ordering in the chemical composition within the nominally random MPEA atomic structure. We consider, through simulation, a range of length scales over which ordering occurs, varying from short-range lengths, a few times dislocation core width, to long-range lengths, an order of magnitude longer than the core. Characteristic of this body-centered cubic MPEA, the simulations also include screw/edge character dependence in glide resistance, as informed by atomic scale simulation. The critical stresses to activate the source for the same source size are found to be statistically distributed, as a direct consequence of the underlying variation in lattice energy. Furthermore, analysis of critical state for activating edge and screw FR sources in the MPEA reveals that FR source operation occurs via a two-step mechanism, involving athermal kink-pair formation, unlike the conventional FR source operation in a material with no composition fluctuations. This mechanism lowers the average critical stress required to activate the FR source and causes the statistical dispersion in critical stress to depend on the range of composition ordering. More importantly, it leads to a more severe dependence of source strength on FR source length than predicted by line tension alone.

36 MATERIALS SCIENCE↗

DOE OSTI2022

PDFDataExtractor: A Tool for Reading Scientific Text and Interpreting Metadata from the Typeset Literature in the Portable Document Format

The layout of portable document format (PDF) files is constant to any screen, and the metadata therein are latent, compared to mark-up languages such as HTML and XML. No semantic tags are usually provided, and a PDF file is not designed to be edited or its data interpreted by software. However, data held in PDF files need to be extracted in order to comply with opensource data requirements that are now government-regulated. In the chemical domain, related chemical and property data also need to be found, and their correlations need to be exploited to enable data science in areas such as data-driven materials discovery. Such relationships may be realized using text-mining software such as the “chemistry-aware” natural-language-processing tool, ChemDataExtractor; however, this tool has limited data-extraction capabilities from PDF files. This study presents the PDFDataExtractor tool, which can act as a plug-in to ChemDataExtractor. It outperforms other PDF-extraction tools for the chemical literature by coupling its functionalities to the chemical-named entityrecognition capabilities of ChemDataExtractor. The intrinsic PDF-reading abilities of ChemDataExtractor are much improved. The system features a template-based architecture. This enables semantic information to be extracted from the PDF files of scientific articles in order to reconstruct the logical structure of articles. While other existing PDF-extracting tools focus on quantity mining, this template-based system is more focused on quality mining on different layouts. PDFDataExtractor outputs information in JSON and plain text, including the metadata of a PDF file, such as paper title, authors, affiliation, email, abstract, keywords, journal, year, document object identifier (DOI), reference, and issue number. With a self-created evaluation article set, PDFDataExtractor achieved promising precision for all key assessed metadata areas of the document text.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Out of the Corner of My Eye: Foveal Semantic Load Modulates Parafoveal Processing in Reading.

In two experiments, we examined the impact of foveal semantic expectancy and congruity on parafoveal word processing during reading. Experiment 1 utilized an eye-tracking gaze contingent display change paradigm, and Experiment 2 measured event-related brain potentials (ERP) in a modified RSVP paradigm to track the time-course of foveal semantic influences on convert attentional allocation to parafoveal word processing. Furthermore, eye-tracking and ERP data converged to reveal graded effects of semantic foveal load on parafoveal processing.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

CRISPR–Cas9 bends and twists DNA to read its sequence

In bacterial defense and genome editing applications, the CRISPR-associated protein Cas9 searches millions of DNA base pairs to locate a 20-nucleotide, guide RNA-complementary target sequence that abuts a protospacer-adjacent motif (PAM). Target capture requires Cas9 to unwind DNA at candidate sequences using an unknown ATP-independent mechanism. Here we show that Cas9 sharply bends and undertwists DNA on PAM binding, thereby flipping DNA nucleotides out of the duplex and toward the guide RNA for sequence interrogation. Cryogenic-electron microscopy (cryo-EM) structures of Cas9–RNA–DNA complexes trapped at different states of the interrogation pathway, together with solution conformational probing, reveal that global protein rearrangement accompanies formation of an unstacked DNA hinge. Bend-induced base flipping explains how Cas9 ‘reads’ snippets of DNA to locate target sites within a vast excess of nontarget DNA, a process crucial to both bacterial antiviral immunity and genome editing. This mechanism establishes a physical solution to the problem of complementarity-guided DNA search and shows how interrogation speed and local DNA geometry may influence genome editing efficiency.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2013

Dealing with the size-of-source effect in the calibration of direct-reading radiation thermometer

The majority of general-purpose low-temperature handheld radiation thermometers are severely affected by the size-of-source effect (SSE). Calibration of these instruments is pointless unless the SSE is accounted for in the calibration process. Traditional SSE measurement techniques, however, are costly and time consuming, and because the instruments are direct-reading in temperature, traditional SSE results are not easily interpretable, particularly by the general user. This paper describes a simplified method for measuring the SSE, suitable for second-tier calibration laboratories and requiring no additional equipment, and proposes a means of reporting SSE results on a calibration certificate that should be easily understood by the non-specialist user.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2014

Reading data stored in the state of metastable defects in silicon using band-band photoluminescence: Proof of concept and physical limits to the data storage density

The state of bistable defects in crystalline silicon such as iron-boron pairs or the boron-oxygen defect can be changed at room temperature. In this letter, we experimentally demonstrate that the chemical state of a group of defects can be changed to represent a bit of information. The state can then be read without direct contact via the intensity of the emitted band-band photoluminescence signal of the group of defects, via their impact on the carrier lifetime. The theoretical limit of the information density is then computed. The information density is shown to be low for two-dimensional storage but significant for three-dimensional data storage. Finally, we compute the maximum storage capacity as a function of the lower limit of the photoluminescence detector sensitivity.

36 MATERIALS SCIENCE↗

DOE OSTI2014

Shockley-Read-Hall lifetimes in CdTe

A combination of first principles electronic structure calculations, Green's function method, and empirical tight-binding Hamiltonian method is used to evaluate the minority carrier lifetimes of CdTe due to recombination via native point defects in CdTe. For defect energy levels near mid-gap, our calculated value of the Shockley-Read-Hall capture cross section for both electrons and holes is ~10⁻¹³ cm², which is considerably different from the most commonly employed values. We further find that minority carrier lifetimes in doped CdTe are affected more by defect levels closer to the Fermi level than those in the mid-gap.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Shockley-Read-Hall recombination in pre-filled and photo-filled intermediate band solar cells

In this work, we study how Shockley-Read-Hall (SRH) recombination via energy levels in the bandgap, caused by defects or impurities, affects the performance of both photo-filled and pre-filled intermediate band solar cells (IBSCs). For a pre-filled cell, the IB is half-filled in equilibrium, while it is empty for the photo-filled cell in equilibrium. The energy level, density, and capture cross-sections of the defects/impurities are varied systematically. We find that the photo-filled cells are, in general, less efficient than pre-filled cells, except when the defect level is between the conduction band and the IB. In that case, for a range of light intensities, the photo-filled cell performs better than the pre-filled. When the defect level is at the same energy as the IB, the efficiency is above 82% of the defect-free case, when less than 50% of the states at the IB lead to SRH recombination. This shows that even if SRH recombination via the IB takes place, high efficiencies can be achieved. We also show that band gap optimization can be used to reduce the SRH recombination.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2014

Minority carrier lifetime in mid-wavelength infrared InAs/InAsSb superlattices: Photon recycling and the role of radiative and Shockley-Read-Hall recombination mechanisms

The influence of radiative recombination on the minority carrier lifetime in mid-wavelength InAs/InAsSb superlattices was investigated. From the lifetime's dependence on temperature, photon recycling, and carrier concentration, it was demonstrated that radiative lifetime dominates for carrier concentrations >5 × 10{sup 14} cm{sup −3}, and Shockley-Read-Hall recombination starts to dominate the minority carrier lifetime for carrier concentrations <5 × 10{sup 14} cm{sup −3}. An observed increase of the minority carrier lifetime with increasing superlattice thickness was attributed to photon recycling, and good agreement between measured and theoretical values of the photon recycling factor was obtained.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Near unity ideality factor and Shockley-Read-Hall lifetime in GaN-on-GaN p-n diodes with avalanche breakdown

Textbook-like device characteristics are demonstrated in vertical GaN p-n diodes grown on bulk GaN substrates. These devices show simultaneously an avalanche breakdown voltage (BV) of >1.4 kV under reverse bias, an ideality factor plateau of ∼2.0 in a forward bias window followed by a near unity ideality factor of 1.1, which are consistently achieved over a temperature range of 300–400 K. At room temperature (RT), the diode with a mesa diameter of 107 μm showed a differential on-resistance Ron of 0.12 mΩcm2, thus resulting in a record figure-of-merit BV2/Ron of ∼16.5 GW/cm2, which is the highest ever demonstrated in any semiconductors. Analytical models are used to fit experimental I-Vs; based on the recombination current with an ideality factor of ∼2.0, a Shockley-Read-Hall lifetime of 12 ns is extracted at RT with an estimated recombination center concentration of 3 × 1015 cm−3.

Hu, Zongyang↗