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At least 397 records · Page 22

MBE HgCdTe heterostructure detectors

HgCdTe has been the mainstay for medium (3 to 5 micron) and long (10 to 14 micron) wavelength infrared detectors in recent years. Conventional growth and processing techniques are continuing to improve the material. However, the additional ability to tailor composition and placement of doped layers on the tens of angstroms scale using molecular beam epitaxy (MBE) provides the opportunity for new device physics and concepts to be utilized. MBE-based device structures to be discussed here can be grouped into two categories: tailored conventional structures and quantum structures. The tailored conventional structures are improvements on familiar devices, but make use of the ability to create layers of varying composition, and thus band gap, at will. The heterostructure junction can be positioned independently of doping p-n junctions. This allows the small band gap region in which the absorption occurs to be separated from a larger band gap region in which the electric field is large and where unwanted tunneling can occur. Data from hybrid MBE/liquid phase epitaxy (LPE)/bulk structures are given. Quantum structures include the HgTe-CdTe superlattice, in which the band gap and transport can be controlled by alternating thin layers (tens of angstroms thick) of HgTe and CdTe. The superlattice has been shown to exhibit behavior which is non-alloy like, including very high hole mobilities, two-dimensional structure in the absorption coefficient, resonant tunneling, and anisotropic transport.

Schulman, Joel N.↗

Exciton Delocalization in Indolenine Squaraine Aggregates Templated by DNA Holliday Junction Scaffolds

Exciton delocalization plays a prominent role in the photophysics of molecular aggregates, ultimately governing their particular function or application. DNA is a compelling scaffold in which to template molecular aggregates and promote exciton delocalization. As individual dye molecules are the basis of exciton delocalization in molecular aggregates, their judicious selection is important. Motivated by their excellent photostability and spectral properties, here we examine the ability of squaraine dyes to undergo exciton delocalization when aggregated via a DNA Holliday junction (HJ) template. A commercially available indolenine squaraine dye was chosen for the study given its strong structural resemblance to Cy5, a commercially available cyanine dye previously shown to undergo exciton delocalization in DNA HJs. Three types of DNA-dye aggregate configurations—transverse dimer, adjacent dimer, and tetramer—were investigated. Signatures of exciton delocalization were observed in all squaraine-DNA aggregates. Specifically, strong blue shift and Davydov splitting were observed in steady-state absorption spectroscopy and exciton-induced features were evident in circular dichroism spectroscopy. Strongly suppressed fluorescence emission provided additional, indirect evidence for exciton delocalization in the DNA-templated squaraine dye aggregates. To quantitatively evaluate and directly compare the excitonic Coulombic coupling responsible for exciton delocalization, the strength of excitonic hopping interactions between the dyes were obtained by simultaneous fitting the experimental steady-state absorption and CD spectra via a Holstein-like Hamiltonian in which, following the theoretical approach of Kühn, Renger, and May, the dominant vibrational mode is explicitly considered. The excitonic hopping strength within indolenine squaraines was found to be comparable to that of the analogous Cy5 DNA-templated aggregate. The squaraine aggregates adopted primarily an H-type (dyes oriented parallel to each other) spatial arrangement. Extracted geometric details of dye mutual orientation in the aggregates enabled close comparison of aggregate configurations and the elucidation of the influence of dye angular relationship on excitonic hopping interactions in squaraine aggregates. Furthermore, these results encourage the application of squaraine-based aggregates in next generation systems driven by molecular excitons.

36 MATERIALS SCIENCE↗

Galvanic Transformation Dynamics in Heterostructured Nanoparticles

Corrosion is a significant problem for the stability of structural metals and potentially for functional nanomaterials in operating environments. When two metals with different electrochemical potentials form a junction, galvanic corrosion occurs, resulting in the sacrificial dissolution of the metal with a higher oxidation potential (lower electrode potential). In this report it is shown that bimetallic hetero-nanostructures composed of phase-segregated metals undergo galvanic corrosion in aqueous environments. Such selective etching of the sacrificial metal in heterojunction particles leads to the formation of unusual and kinetically stabilized half-spheroid particles. By using a fluid cell and in situ scanning transmission electron microscopy, a two-stage corrosion process can be observed where the Cu experiences a fractal breakdown before the Ag corrodes due to the lack of a protective oxide layer. However, when treated with a mild Ar plasma, the stability of these structures against corrosion is enhanced due to the conversion of the amorphous native oxide to a denser, thin layer of CuO on the Cu surface. Taken together, this work highlights the importance of considering the effects of galvanic corrosion on the stability of multicomponent nanoparticles, and it shows how mass transport in a nanoscale system is influenced by redox processes.

36 MATERIALS SCIENCE↗

Differential Measurement Periodontal Structures Mapping System

This invention relates to a periodontal structure mapping system employing a dental handpiece containing first and second acoustic sensors for locating the Cemento-Enamel Junction (CEJ) and measuring the differential depth between the CEJ and the bottom of the periodontal pocket. Measurements are taken at multiple locations on each tooth of a patient, observed, analyzed by an optical analysis subsystem, and archived by a data storage system for subsequent study and comparison with previous and subsequent measurements. Ultrasonic transducers for the first and second acoustic sensors are contained within the handpiece and in connection with a control computer. Pressurized water is provided for the depth measurement sensor and a linearly movable probe sensor serves as the sensor for the CEJ finder. The linear movement of the CEJ sensor is obtained by a control computer actuated by the prober. In an alternate embodiment, the CEJ probe is an optical fiber sensor with appropriate analysis structure provided therefor.

Companion, John A.↗

On the computational solution of vector-density based continuum dislocation dynamics models: A comparison of two plastic distortion and stress update algorithms

Continuum dislocation dynamics models of mesoscale plasticity consist of dislocation transport-reaction equations coupled with crystal mechanics equations. The coupling between these two sets of equations is such that dislocation transport gives rise to the evolution of plastic distortion (strain), while the evolution of the latter fixes the stress from which the dislocation velocity field is found via a mobility law. Earlier solutions of these equations employed a staggered solution scheme for the two sets of equations in which the plastic distortion was updated via time integration of its rate, as found from Orowan's law. In this work, we show that such a direct time integration scheme can suffer from accumulation of numerical errors. We introduce an alternative scheme based on field dislocation mechanics that ensures consistency between the plastic distortion and the dislocation content in the crystal. The new scheme is based on calculating the compatible and incompatible parts of the plastic distortion separately, and the incompatible part is calculated from the current dislocation density field. Stress field and dislocation transport calculations were implemented within a finite element based discretization of the governing equations, with the crystal mechanics part solved by a conventional Galerkin method and the dislocation transport equations by the least squares method. A simple test was first performed to show the accuracy of the two schemes for updating the plastic distortion, which shows that the solution method based on field dislocation mechanics is more accurate. This method then was used to simulate an austenitic steel crystal under uniaxial loading and multiple slip conditions. By considering dislocation interactions caused by junctions, a hardening rate similar to discrete dislocation dynamics simulation results was obtained. Finally, the simulations show that dislocations exhibit some self-organized structures as the strain is increased.

36 MATERIALS SCIENCE↗

Reduction of efficiency droop in c -plane InGaN/GaN light-emitting diodes using a thick single quantum well with doped barriers

We report on c-plane InGaN/GaN single quantum well (QW) light-emitting diodes (LEDs) of different well widths (3 or 9 nm) with and without doped barriers. QW barriers were doped with the aim of reducing the internal electric field (F QW ) in the QW to increase the electron-hole overlap, therefore increasing the recombination rates and resulting in the reduction of the efficiency droop. We, indeed, observed, through biased photocurrent spectroscopy, a reduction in F QW with doped barriers, with F QW being in the same direction of the p-n junction field at zero bias as opposed to the junction field for LEDs without doped barriers. Even with the improvement in the ground state wavefunction overlap, the ground state transition rate remains low for thick QWs. Transitions through excited states were observed for both thick QW LEDs with and without doped barriers. Here, the thick QW LED without doped barriers displayed low external quantum efficiency (EQE), likely as a result of the carrier overflow due to the poor confinement of carriers in the excited states. On the other hand, for LEDs with doped barriers, the flatter band in the QW resulting from the lower F QW reduces the energy separation between the eigenstates, leading to better confinement of carriers in the excited states. With doped barriers, we demonstrated a low efficiency droop 9-nm-thick single QW LED with a peak EQE of 42% at 40 A/cm 2 and an EQE of 36% at 400 A/cm 2 .

42 ENGINEERING↗

Photovoltaic effect on silicon–alumina–ferromagnet tunnel junction providing insights about spin-dependent molecular spintronics solar cells

The study focuses on the observation of the photovoltaic (PV) effect on Si/AlOx/FM semiconductor–insulator–ferromagnetic metal (SIFM) structure. Utilization of ~10 nm NiFe film as the top ferromagnet (FM) layer was permeable for sufficient light radiation necessary for reaching the silicon substrate for the generation of electron–hole pairs upon photoexcitation. The effect of light intensity and magnetic field was studied on the SIFM’s PV response. We also investigated the role of silicon doping and the AlOx tunnel barrier between Si and FM in exploring suitable band bending necessary for separating the electron–hole pairs. Increasing the dopant density in Si and a damaged AlOx tunnel barrier quenched the PV effect. Ferromagnet/Insulator/Ferromagnet (FMIFM) was also studied to gain deeper mechanistic insights into the spin-dependent photovoltaic effect observed on FM/AlOx/FM tunnel junction-based molecular spintronics devices. Bridging of magnetic molecules between the Si and FM electrodes of SIFM increased the overall device current by establishing additional parallel conduction channels along with the AlOx tunnel barrier. However, SIFM with molecular conduction channels did not produce a PV effect. This study reported the PV effect on well-designed SIFM and opened possibilities for exploring new systems. More importantly, this paper provided insights into the role of molecule-induced exchange coupling in transforming an ordinary, cheap, and widely available ferromagnet into a semiconductor-like material capable of showing PV.

14 SOLAR ENERGY↗

In situ embedment of type K sheathed thermocouples with directed energy deposition

Advanced nuclear reactor systems require new technologies for heat transfer and system monitoring. Additive manufacturing (AM) offers the design flexibility to allow in-situ sensor embedment through smart manufacturing for real-time monitoring, and performance of these systems. Here, this study focuses on experiments investigating the feasibility of in-situ sensor embedment using directed energy deposition (DED). Type K thermocouples are embedded into 316L stainless steel (SS) samples using two different configurations (e.g., exposed and embedded tips) and two designs (e.g., flush to substrate) within an AM base. Embedded sensor samples are analyzed via in-situ measurements and high-temperature performance validation tests at 350ºC and 900ºC. Temperature performance results at both temperature tests show good agreement with manufacturer specifications proving that these sensors could still capture accurate temperature readings after in-situ embedment during DED processing. An additional optimization experiment was conducted on the exposed tip configuration using a surrogate thermocouple to improve tolerances and the embedment process. Results improved tolerances, lower porosity, smaller gaps between the sensor and base, and better junction contact for the sensor. Although further optimization of this embedment strategy is necessary to improve the structural stability and tolerances within the component, this research strategy provides a proof-of-feasibility for DED embedment with commercial sheathed thermocouples. This research provides early impact on embedment of sensor for multiple materials and complex geometric components..

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Electrochemically induced metal- vs. ligand-based redox changes in mackinawite: identification of a Fe 3+ - and polysulfide-containing intermediate

Under anaerobic conditions, ferrous iron reacts with sulfide producing FeS, which can then undergo a temperature, redox potential, and pH dependent maturation process resulting in the formation of oxidized mineral phases, such as greigite or pyrite. A greater understanding of this maturation process holds promise for the development of iron-sulfide catalysts, which are known to promote diverse chemical reactions, such as H + , CO 2 and NO 3 - reduction processes. Hampering the full realization of the catalytic potential of FeS, however, is an incomplete knowledge of the molecular and redox processess ocurring between mineral and nanoparticulate phases. Here, we investigated the chemical properties of iron-sulfide by cyclic voltammetry, Raman and X-ray absorption spectroscopic techniques. Tracing oxidative maturation pathways by varying electrode potential, nanoparticulate n(Fe 2+ S 2- ) (s) was found to oxidize to a Fe 3+ containing FeS phase at -0.5 V vs. Ag/AgCl (pH = 7). In a subsequent oxidation, polysulfides are proposed to give a material that is composed of Fe 2+ , Fe 3+ , S 2- and polysulfide (S n 2- ) species, with its composition described as Fe 2+ 1-3x Fe 3+ 2x S 2- 1-y (S n 2- ) y . Thermodynamic properties of model compounds calculated by density functional theory indicate that ligand oxidation occurs in conjunction with structural rearrangements, whereas metal oxidation may occur prior to structural rearrangement. These findings together point to the existence of a metastable FeS phase located at the junction of a metal-based oxidation path between FeS and greigite (Fe 2+ Fe 3+ 2 S 2- 4 ) and a ligand-based oxidation path between FeS and pyrite (Fe 2+ (S 2 ) 2- ).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Quantifying the dislocation content of atomically resolved grain boundary line defects using the Nye tensor

The Nye tensor, which quantifies the density of Burgers vector for a given dislocation line direction, can be effectively used to characterize dislocation content in bulk crystals from atomic-resolution transmission electron microscopy images. The Nye tensor can be calculated from these images, in part because the reference state is simply defined by the lattice of the perfect crystal. The application of the Nye tensor to interfacial line defects, for which the natural reference state is the dichromatic pattern of the two grains in their reference orientation, poses additional challenges. In this work, we present a method that employs the Nye tensor to characterize the edge dislocation content of line defects at grain boundaries from atomic-resolution images. This approach enables us to rapidly characterize all edge dislocation content along a grain boundary. Additionally, the Nye tensor provides information about line defect core structure. Finally, we demonstrate this method on two exemplar defects: a twin boundary disconnection and a facet junction in face-centered cubic Au.

Crystallographic defects↗

Selective area doping of GaN toward high-power applications

Abstract Selective area doping in GaN, especially p-type, is a critical and inevitable building block for the realization of advanced device structures for high-power applications, including, but not limited to, current-aperture vertical electron transistors, junction termination extensions, junction barrier Schottky diodes, junction field-effect transistors (JFETs), vertical-channel JFETs, U-shaped metal–oxide–semiconductor field-effect transistors (U-MOSFETs), and Fin MOSFETs. This paper reviews and summarizes some of the recent advances in the fields of selective area etching and regrowth, ion implantation, and polarity-dependent doping that may lead to the practical realization of GaN-based power devices.

Physics↗

Chromoanagenesis in the asy1 meiotic mutant of Arabidopsis

Chromoanagenesis is a catastrophic event that involves localized chromosomal shattering and reorganization. In this study, we report a case of chromoanagenesis resulting from defective meiosis in the MEIOTIC ASYNAPTIC MUTANT 1 (asy1) background in Arabidopsis thaliana. We provide a detailed characterization of the genomic structure of this individual with a severely shattered segment of chromosome 1. We identified 260 novel DNA junctions in the affected region, most of which affect gene sequence on 1 or both sides of the junction. Our results confirm that asy1-related defective meiosis is a potential trigger for chromoanagenesis. This is the first example of chromoanagenesis associated with female meiosis and indicates the potential for genome evolution during oogenesis.

59 BASIC BIOLOGICAL SCIENCES↗

Three-dimensional structure of a flavivirus dumbbell RNA reveals molecular details of an RNA regulator of replication

Abstract Mosquito-borne flaviviruses (MBFVs) including dengue, West Nile, yellow fever, and Zika viruses have an RNA genome encoding one open reading frame flanked by 5′ and 3′ untranslated regions (UTRs). The 3′ UTRs of MBFVs contain regions of high sequence conservation in structured RNA elements known as dumbbells (DBs). DBs regulate translation and replication of the viral RNA genome, functions proposed to depend on the formation of an RNA pseudoknot. To understand how DB structure provides this function, we solved the x-ray crystal structure of the Donggang virus DB to 2.1Å resolution and used structural modeling to reveal the details of its three-dimensional fold. The structure confirmed the predicted pseudoknot and molecular modeling revealed how conserved sequences form a four-way junction that appears to stabilize the pseudoknot. Single-molecule FRET suggests that the DB pseudoknot is a stable element that can regulate the switch between translation and replication during the viral lifecycle by modulating long-range RNA conformational changes.

Akiyama, Benjamin M.↗

Bridging the length scales in ionic separations via data-driving machine learning

We pursued a data science driven machine learning (ML) approach that blended molecular scale attributes informed from molecular dynamics (MD) simulation and materials properties to the selectivity and energy efficiency in targeted ionic separations using electric fields. The model mixtures investigated for ionic separations are pH sensitive and include organic acids, silica and boron, transition metals, such as copper and chromium. There were two major research thrusts of this project. Firstly, we investigated surrogate models and deep learning that relate material chemistries and structures to selective transport of ionic species under applied electric fields. Secondly we investigated how the bipolar junction interfacial design and water dissociation catalyst in bipolar membranes affect reverse bias polarization behavior and pH modulation in deionization platforms as a function of the platform operating parameters (e.g., cell voltage, residence time, and salt feed concentration). As a result of this work, we also were able to start a new direction, namely ML models for molecular design of surfactants.

36 MATERIALS SCIENCE↗

n-B-pi-p Superlattice Infrared Detector

A specially designed barrier (B) is inserted at the n-pi junction [where most GR (generation-recombination) processes take place] in the standard n-pi-p structure to substantially reduce generation-recombination dark currents. The resulting n-Bpi- p structure also has reduced tunneling dark currents, thereby solving some of the limitations to which current type II strained layer superlattice infrared detectors are prone. This innovation is compatible with common read-out integrated circuits (ROICs).

Ting, David Z.↗

Hybrid Tandem Photovoltaics

Tandem solar cell structures are the only strategy demonstrated to surpass the detailed balance efficiency limit of high-quality single-junction solar cells. To continue to improve the efficiencies of cost-effective terrestrial solar power, hybrid tandems of dissimilar subcells are being considered by many around the world, especially designs that incorporate silicon solar cells as a bottom subcell. In this project, we studied a wide variety of tandem design possibilities including those with three-terminal (3T) and four-terminal (4T) configurations. The use of 3T and 4T designs could be useful for efficient and economical hybrid tandem designs that utilize the best available subcell materials such as emerging perovskite materials. Three-terminal configurations, in particular, have not been sufficiently studied previously. We have laid the foundational groundwork in this project for understanding the operation of 3T tandems: developing a taxonomy for naming, a methodology for measuring and interconnecting, and models for simply characterizing 3T tandems. Electrical and optical subcell coupling between the subcells was also measured and modeled. An important part of this work was the fabrication of novel example tandem structures, including 4T GaAs/Si, 3T GaInP/Si, 3T GaAs/Si, and 3T GaInP/GaAs devices. Using these high-quality tandem cells, we have been able to clearly demonstrate the achievability of high-efficiencies, and subtle physical effects such as photon recycling and luminescent coupling. We have developed and demonstrated essential building-block tools such as transparent conductive adhesives (TCA) and 3T silicon bottom cells with interdigitated back contacts (IBC) that can also be used in many other tandem designs. We have tested the reliability of these tools and devices under standardized testing and outdoor measurements. We have found 4T GaAs/Si tandems to be relatively straightforward to fabricate and robust in real-world outdoor conditions. While we have demonstrated working hybrid 3T III-V/TCA/Si IBC tandems, we experienced low yields even with our best process flows yet. Further work is still needed to improve the processing yield of these devices. We therefore also created tandem cells using an all-III-V 3T tandem process which was very robust with high yields, allowing for the creation of voltage-matched strings in many different configurations using 8 nearly identical 3T tandems. Using these robust 3T tandem examples, we were able measure and precisely characterize 3T tandem behaviors to predict their operation under changing spectrum and temperature. The optoelectronic equivalent-circuit model was shown to be very general and applicable to hybrid tandems, and encompassed the operation 3T Si IBC cells. This general model has been distributed to the public in as open-source Python-based software called PVcircuit. We have calculated the implications of these new tandem device designs on the real-world energy production and shown how the relative performance of different tandem configurations is situational and can be engineered using the tools developed here.

14 SOLAR ENERGY↗

Crystal structure of a cap-independent translation enhancer RNA

In eukaryotic messenger RNAs, the 5' cap structure binds to the translation initiation factor 4E to facilitate early stages of translation. Although many plant viruses lack the 5' cap structure, some contain cap-independent translation elements (CITEs) in their 3' untranslated region. The PTE (Panicum mosaic virus translation element) class of CITEs contains a G-rich asymmetric bulge and a C-rich helical junction that were proposed to interact via formation of a pseudoknot. SHAPE analysis of PTE homologs reveals a highly reactive guanosine residue within the G-rich region proposed to mediate eukaryotic initiation factor 4E (eIF4E) recognition. Here we have obtained the crystal structure of the PTE from Pea enation mosaic virus 2 (PEMV 2 ) RNA in complex with our structural chaperone, Fab BL3–6. The structure reveals that the G-rich and C-rich regions interact through a complex network of interactions distinct from those expected for a pseudoknot. The motif, which contains a short parallel duplex, provides a structural mechanism for how the guanosine is extruded from the core stack to enable eIF4E recognition. Homologous PTE elements harbor a G-rich bulge and a three-way junction and exhibit covariation at crucial positions, suggesting that the PEMV 2 tertiary architecture is conserved among these homologs.

59 BASIC BIOLOGICAL SCIENCES↗

Tunnel junctions for InP-on-Si solar cells

Growing, by metalorganic chemical vapor deposition, a tunnel junction is described, which makes possible and ohmic back contact in an n-on-p InP solar cell on a silicon substrate. The junction between heavily doped layers of p-type InGaAs and n-type InP shows resistance low enough not to affect the performance of these cells. InP solar cells made on n-type Si substrates with this structure were measured with an efficiency of 9.9 percent. Controls using p-type GaAs substrates showed no significant difference in cell performance, indicating that the resistance associated with the tunnel junction is less than about 0.1 ohm/sq cm.

Keavney, C.↗