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Results for “substrate channeling”

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 73 records · Page 4
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

A facile approach for site-selective and large-area growth of MoS 2 through heterogeneous nucleation

Heterogeneous nucleation could be an effective approach to producing an array of transition metal dichalco-genides (TMDs) at controlled locations on a substrate. In this study, we prepared Pt mesa structures on the substrate to induce heterogeneous nucleation of MoS 2 during chemical vapor deposition (CVD) and investigated the adsorption of nuclei using Monte Carlo (MC) simulations. The MC simulations suggest that the site-selectivity of MoS 2 dramatically drops when the CVD growth time goes beyond the critical time at which nuclei fully cover the Pt mesas, and such critical time can be delayed when the size of Pt mesas increases. Our experimental observations on a clean array of MoS 2 successfully synthesized on 10 um-width square Pt mesas but not on 4 um -width square Pt mesas support the MC simulation. We further designed a simple method employing dummy substrates to increase the yield of the site-selective MoS 2 array. Computational fluid dynamics (CFD) simulation reveals that such dummy substrates restrict the precursor concentration and provide a confined channel for the precursors to react slowly, which benefits producing large-area and site-selective MoS 2 . Furthermore, compared with conventional CVD, the total coverage of site-selective MoS 2 has enlarged by seven times using dummy substrates.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Structural insights into RNA cleavage by a novel family of bacterial RNases

Abstract Processing of RNA is a key regulatory mechanism for all living systems. Escherichia coli protein YicC belongs to the well-conserved YicC family and has been identified as a novel ribonuclease. Here, we report a 2.8-Å-resolution crystal structure of the E. coli YicC apo protein and a 3.2-Å-cryo-EM structure of YicC bound to an RNA substrate. The apo YicC forms a dimer of trimers with a large open channel. In the RNA-bound form, the top trimer of YicC rotates nearly 70° and closes the RNA substrate inside the cavity to form a clamshell-pearl conformation that resembles no other known RNases. The structural information combined with mass spectrometry and biochemical data identified cleavage on the upstream side of an RNA hairpin. Mutagenesis studies demonstrated that the previously uncharacterized domain, DUF1732, is critical in both RNA binding and catalysis. These studies shed light on the mechanism of the previously unexplored YicC RNase family.

Biochemistry & Molecular Biology↗
DOE OSTI2023

Going around the Kok cycle of the water oxidation reaction with femtosecond X-ray crystallography

The water oxidation reaction in photosystem II (PS II) produces most of the molecular oxygen in the atmosphere, which sustains life on Earth, and in this process releases four electrons and four protons that drive the downstream process of CO 2 fixation in the photosynthetic apparatus. The catalytic center of PS II is an oxygen-bridged Mn 4 Ca complex (Mn 4 CaO 5 ) which is progressively oxidized upon the absorption of light by the chlorophyll of the PS II reaction center, and the accumulation of four oxidative equivalents in the catalytic center results in the oxidation of two waters to dioxygen in the last step. The recent emergence of X-ray free-electron lasers (XFELs) with intense femtosecond X-ray pulses has opened up opportunities to visualize this reaction in PS II as it proceeds through the catalytic cycle. In this review, we summarize our recent studies of the catalytic reaction in PS II by following the structural changes along the reaction pathway via room-temperature X-ray crystallography using XFELs. The evolution of the electron density changes at the Mn complex reveals notable structural changes, including the insertion of O X from a new water molecule, which disappears on completion of the reaction, implicating it in the O—O bond formation reaction. We were also able to follow the structural dynamics of the protein coordinating with the catalytic complex and of channels within the protein that are important for substrate and product transport, revealing well orchestrated conformational changes in response to the electronic changes at the Mn 4 Ca cluster.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Templated Liquid-Phase Epitaxy of InP Structures on Si

We demonstrate direct and over-dielectric heteroepitaxial growth of InP on Si substrates through templated liquid-phase epitaxy. Large grains (5 um) are indicated by electron channeling contrast imaging and epitaxy is confirmed by x-ray diffraction.We demonstrate direct and over-dielectric heteroepitaxial growth of InP on Si substrates through templated liquid-phase epitaxy. Large grains (5 um) are indicated by electron channeling contrast imaging and epitaxy is confirmed by x-ray diffraction.

CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SU↗
DOE OSTI2022

Coalescence of GaP on V-Groove Si

With an increase of control over crystalline defects, metallorganic vapor phase epitaxy (MOVPE)-grown III-V-on-Si multijunction solar cells have seen rapid increases in efficiency in recent years, pointing to a promising path to lower cost III-V solar cells. However, the cost of chemo-mechanical polishing the Si wafers to prepare them for epitaxy is high. The use of V-groove nanopatterns enables similar defect reduction to that achieved on planar wafers, but the nanopatterns can be fabricated with a low-cost process. While V-grooves offer advantages over planar Si, they add complexity to the growth process. In particular, coalescence can cause the formation of threading dislocations, and the highly-directional growth conditions required for coalescence are unusual for MOVPE. We have studied the coalescence of GaP films nucleated directly on V-groove Si by MOVPE. We observed that for optimized growth conditions (V/III=5,000 and T=800 C) two growth modes were possible, and the resulting morphology depended on the exact geometry of the SiNx cap used to cover the (0 0 1)-oriented Si at the tops of the grooves. For caps with a width >100 nm, noncoalescing, nano ridge-like growth terminating in f1 1 1g facets was observed. For narrower caps, coalescence with an RMS roughness of 0.2 nm as measured by atomic force microscopy was observed. We will discuss mechanisms responsible for this phenomenon, including the role of Si from the substrate surface. The dislocation dynamics of this system were studied with electron channeling contrast imaging (ECCI) and transmission electron microscopy (TEM). We find that V-grooves do not block dislocation glide; ECCI measurements show misfit dislocations greater than 10 micrometers long observed to continue perpendicularly across neighboring V-grooves. In addition, all threading dislocations appear to lie on f1 1 1g planes, consistent with the GaP relaxing via glided-in glissile dislocations. The dislocation dynamics and morphological evolution of the coalescence of GaP on Si, possible mechanisms behind the observed phenomenons, and further dislocation mitigation strategies for these materials will be presented.

dislocation dynamics↗
DOE OSTI2021

Cryo-EM structures of Escherichia coli cytochrome bo 3 reveal bound phospholipids and ubiquinone-8 in a dynamic substrate binding site

Two independent structures of the proton-pumping, respiratory cytochrome bo3 ubiquinol oxidase (cyt bo 3 ) have been determined by cryogenic electron microscopy (cryo-EM) in styrene–maleic acid (SMA) copolymer nanodiscs and in membrane scaffold protein (MSP) nanodiscs to 2.55- and 2.19-Å resolution, respectively. The structures include the metal redox centers (heme b, heme o 3 , and Cu B ), the redox-active cross-linked histidine–tyrosine cofactor, and the internal water molecules in the proton-conducting D channel. Each structure also contains one equivalent of ubiquinone-8 (UQ8) in the substrate binding site as well as several phospholipid molecules. The isoprene side chain of UQ8 is clamped within a hydrophobic groove in subunit I by transmembrane helix TM0, which is only present in quinol oxidases and not in the closely related cytochrome c oxidases. Both structures show carbonyl O1 of the UQ8 headgroup hydrogen bonded to D75I and R71 I . In both structures, residue H98 I occupies two conformations. In conformation 1, H98 I forms a hydrogen bond with carbonyl O4 of the UQ8 headgroup, but in conformation 2, the imidazole side chain of H98 I has flipped to form a hydrogen bond with E14 I at the N-terminal end of TM0. We propose that H98 I dynamics facilitate proton transfer from ubiquinol to the periplasmic aqueous phase during oxidation of the substrate. Computational studies show that TM0 creates a channel, allowing access of water to the ubiquinol headgroup and to H98 I .

bioenergetics↗
DOE OSTI2022

Study of Carrier Mobilities in 4H-SiC MOSFETS Using Hall Analysis

The channel conduction in 4H-SiC metal–oxide–semiconductor field effect transistors (MOSFETs) are highly impacted by charge trapping and scattering at the interface. Even though nitridation reduces the interface trap density, scattering still plays a crucial role in increasing the channel resistance in these transistors. In this work, the dominant scattering mechanisms are distinguished for inversion layer electrons and holes using temperature and body-bias-dependent Hall measurements on nitrided lateral 4H-SiC MOSFETs. The effect of the transverse electric field (E eƒƒ ) on carrier mobility is analyzed under strong inversion condition where surface roughness scattering becomes prevalent. Power law dependencies of the electron and hole Hall mobility for surface roughness scattering are determined to be E$^{-1.8}_{eƒƒ}$ and E$^{-2.4}_{eƒƒ}$, respectively, analogous to those of silicon MOSFETs. Moreover, for n-channel MOSFETs, the effect of phonon scattering is observed at zero body bias, whereas in p-channel MOSFETs, it is observed only under negative body biases. Along with the identification of regimes governed by different scattering mechanisms, these results highlight the importance of the selection of substrate doping and of E eƒƒ in controlling the value of channel mobility in 4H-SiC MOSFETs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Spontaneous generation of athermal phonon bursts within bulk silicon causing excess noise, low energy background events, and quasiparticle poisoning in superconducting sensors

Solid state phonon detectors used in the search for dark matter and coherent neutrino nucleus interactions (CE $v$ NS) require excellent energy resolution (eV-scale or below) and low backgrounds. An unknown source of phonon bursts, the low energy excess (LEE), dominates other above-threshold backgrounds and generates excess shot noise from subthreshold bursts. Here, in this paper, we measure these phonon bursts for 12 days after cooldown in two nearly identical 1 cm 2 silicon detectors that differ only in the thickness of their substrate (1 vs 4 mm thick). We find that both the channel-correlated shot noise and near-threshold shared LEE relax with time since cooldown. Additionally, both the correlated shot noise and LEE rates scale linearly with substrate thickness. When combined with previous measurements of other silicon phonon detectors with different substrate geometries and mechanical support strategies, these measurements strongly suggest that the dominant source of both above and below threshold LEE is the bulk substrate. By monitoring the relation between bias power and excess phonon shot noise, we estimate that the energy scale for subthreshold noise events is 0.68 ± 0.38 meV. In our final dataset, we report a world-leading energy resolution of 258.5 ± 0.4 meV in the 1 mm thick detector. Simple calculations suggest that these silicon substrate phonon bursts are likely a significant source of quasiparticle poisoning in superconducting qubits operated in well shielded and vibration free environments.

Chang, C. L. [Argonne National Laboratory 1 , 9700↗
DOE OSTI2024

Reversible to irreversible transitions for ac driven skyrmions on periodic substrates

Abstract Using atomistic simulations, we investigate the dynamical behavior of magnetic skyrmions in dimer and trimer molecular crystal arrangements, as well as bipartite lattices at 3/2 and 5/2 fillings, under ac driving over a square array of anisotropy defects. For low ac amplitudes, at all fillings reversible motion appears in which the skyrmions return to their original positions at the end of each ac drive cycle and the diffusion is zero. We also identify two distinct irreversible regimes. The first is a translating regime in which the skyrmions form channels of flow in opposing directions and translate by one substrate lattice constant per ac drive cycle. The translating state appears in the dimer and trimer arrangements, and produces pronounced peaks in the diffusivity in the direction perpendicular to the external drive. For larger ac amplitudes, we find chaotic irreversible motion in which the skyrmions can randomly exchange places with each other over time, producing long-time diffusive behavior both parallel and perpendicular to the ac driving direction.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structure and mechanism of Staphylococcus aureus oleate hydratase (OhyA)

Flavin adenine dinucleotide (FAD)-dependent bacterial oleate hydratases (OhyAs) catalyze the addition of water to isolated fatty acid carbon–carbon double bonds. Staphylococcus aureus uses OhyA to counteract the host innate immune response by inactivating antimicrobial unsaturated fatty acids. Mechanistic information explaining how OhyAs catalyze regiospecific and stereospecific hydration is required to understand their biological functions and the potential for engineering new products. In this study, we deduced the catalytic mechanism of OhyA from multiple structures of S. aureus OhyA in binary and ternary complexes with combinations of ligands along with biochemical analyses of relevant mutants. The substrate-free state shows Arg81 is the gatekeeper that controls fatty acid entrance to the active site. FAD binding engages the catalytic loop to simultaneously rotate Glu82 into its active conformation and Arg81 out of the hydrophobic substrate tunnel, allowing the fatty acid to rotate into the active site. FAD binding also dehydrates the active site, leaving a single water molecule connected to Glu82. This active site water is a hydronium ion based on the analysis of its hydrogen bond network in the OhyA•PEG400•FAD complex. We conclude that OhyA accelerates acid-catalyzed alkene hydration by positioning the fatty acid double bond to attack the active site hydronium ion, followed by the addition of water to the transient carbocation intermediate. Structural transitions within S. aureus OhyA channel oleate to the active site, curl oleate around the substrate water, and stabilize the hydroxylated product to inactivate antimicrobial fatty acids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Negative Capacitance MgZnO-Channel Thin-Film Transistor With Ferroelectric NiMgZnO in the Gate Stack

We demonstrate the negative capacitance thin-film transistor (NC-TFT) on glass substrate using the multifunctional MgZnO (MZO). The Mg 0.03 Zn 0.97 O semiconductor layer acts as the TFT channel for stable operation while the Ni-doped MZO, i.e. Ni 0.02 Mg 0.15 Zn 0.83 O (NMZO) serves as the ferroelectric layer in the NMZO/SiO 2 stacking gate dielectric structure. The subthreshold swing (SS) value is significantly reduced over the reference TFT without ferroelectric layer. The minimum SS value of the NC-TFT reaches 52 mV/dec while the on/off ratio of drain current ID reaches 10 9 .

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Low energy backgrounds and excess noise in a two-channel low-threshold calorimeter

Here, we describe observations of low energy excess (LEE) events, background events observed in all light dark matter direct detection calorimeters, and noise in a transition edge sensor based two-channel silicon athermal phonon detector with 375 meV baseline energy resolution. We measure two distinct LEE populations: “shared” multichannel events with a pulse shape consistent with substrate athermal phonon events and sub-eV events that couple nearly exclusively to a single channel with a significantly faster pulse shape. These “singles” are consistent with events occurring within the aluminum athermal phonon collection fins. Similarly, our measured detector noise is higher than the theoretical expectation. Measured noise can be split into an uncorrelated component, consistent with shot noise from small energy depositions within the athermal phonon sensor itself, and a correlated component, consistent with shot noise from energy depositions within the silicon substrate's phonon system.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Lithium-ion electrolytic substrates for sub-1V high-performance transition metal dichalcogenide transistors and amplifiers

Electrostatic gating of two-dimensional (2D) materials with ionic liquids (ILs), leading to the accumulation of high surface charge carrier densities, has been often exploited in 2D devices. However, the intrinsic liquid nature of ILs, their sensitivity to humidity, and the stress induced in frozen liquids inhibit ILs from constituting an ideal platform for electrostatic gating. Here we report a lithium-ion solid electrolyte substrate, demonstrating its application in high-performance back-gated n-type MoS 2 and p-type WSe 2 transistors with sub-threshold values approaching the ideal limit of 60 mV/dec and complementary inverter amplifier gain of 34, the highest among comparable amplifiers. Remarkably, these outstanding values were obtained under 1 V power supply. Microscopic studies of the transistor channel using microwave impedance microscopy reveal a homogeneous channel formation, indicative of a smooth interface between the TMD and underlying electrolytic substrate. These results establish lithium-ion substrates as a promising alternative to ILs for advanced thin-film devices.

42 ENGINEERING↗
DOE OSTI2023

Pyridine-containing substrate analogs are restricted from accessing the human cytochrome P450 8B1 active site by tryptophan 281

The human oxysterol 12α-hydroxylase cytochrome P450 8B1 (CYP8B1) is a validated drug target for both type 2 diabetes and nonalcoholic fatty liver disease, but effective selective inhibitors are not yet available. Herein, steroidal substrate-mimicking compounds with a pyridine ring appended to the C12 site of metabolism were designed as inhibitors, synthesized, and evaluated in terms of their functional and structural interactions with CYP8B1. While the pyridine nitrogen was intended to coordinate the CYP8B1 active site heme iron, none of these compounds elicited shifts in the CYP8B1 Soret absorbance consistent with this type of interaction. However, when CYP8B1 was cocrystallized with the pyridine-containing compound with the 3-keto-Δ4 steroid backbone most similar to the endogenous substrate, it was apparent that this ligand was bound in a channel leading to the active site, instead of near the heme iron. Inspection of this structure suggested that tryptophan 281 directly above the heme might restrict active site binding of potential inhibitors with this design. This hypothesis was supported when a CYP8B1 W281F mutation did allow all three compounds to coordinate the heme iron as designed. These results indicated that the design of next-generation CYP8B1 inhibitors should be compatible with the low-ceiling tryptophan immediately above the heme iron.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Apparatus and method for high density detachable electrical interface

The present disclosure relates to a high density electrical interconnect apparatus for interfacing with remotely located electrical components. The apparatus may have a housing, a substrate element supported within the housing, and a plurality of independent substrate interface connect subsystems arranged in a planar grid on the substrate element. The apparatus further has a plurality of independent electrical interface connector subassemblies, each configured to be coupled to an associated subplurality of the substrate interface connect subsystems, to form a plurality of electrical communication channels with the remotely located electrical components.

Patra, Susant↗
DOE OSTI2025

Ionic‐Liquid Free and Flexible Transistors Made of 2D Material Inks

The development of thin-film transistors (TFTs) using 2D materials is crucial for enabling scalable, low-cost, and flexible electronics. Currently, 2D TFTs with the highest performance have been achieved by using ionic-liquid gating (ILG), a technique suited for proof-of-concept studies. However, ILG suffers from slow switching speeds, temperature sensitivity, poor long-term stability, and integration challenges, making it unsuitable for practical use. Moreover, typical fabrication methods for 2D TFTs involve harsh conditions such as strong acids or high temperatures (>300 °C), limiting integration with flexible substrates. This work provides the first demonstration of an ILG-free, all-2D-material TFT fabricated onto a flexible substrate. Water-based graphene and hexagonal boron nitride (h-BN) inks are printed to deposit the electrodes and dielectric layers, respectively. The MoS 2 channel is produced via supramolecular interfacial self-assembly, yielding uniform, monolayer-rich films transferable to rigid and flexible substrates. The resulting TFTs operate below 3 V, exhibit negligible leakage current, and achieve field-effect mobilities up to 0.46 cm 2 V −1 s −1 (rising to 2.47 cm 2 V −1 s −1 with silver electrodes) measured under ambient conditions, while maintaining excellent mechanical flexibility. This work establishes a low-cost and scalable solution-processable platform for flexible electronics based on 2D materials that match requirements for practical applications.

2D materials↗
DOE OSTI2026

Physical Modeling and Design of a Nonvolatile Optically Gated High‐Power Diamond Transistor

In this work, we present the theory and modeling framework of a diamond optically gated junction field‐effect transistor (DOGFET). The device utilizes nitrogen substitutional centers in type‐1b diamond to optically modulate a p‐ boron doped diamond channel. Using sub‐gap lasers with intensities as low as 100 W/cm 2 , electrons are optically excited from substitutional nitrogen sites to the conduction band of the diamond substrate, thus enabling the optical gate to exercise control on modulating the space‐charge region at the junction and therefore the channel conductivity. We show that the device can deliver a current of 7 μA/μm, or equivalently 1750 A/cm 2 , while switching at a frequency greater than 100 kHz, in a form factor of 5 μm 2 . The breakdown voltage is found to be greater than 1850 V, with a breakdown field strength of ~13 MV/cm. Moreover, the device supports nonvolatile operation with a “memory effect” enabling single transistor state retention. The presented simulation framework provides a physically grounded insight into the limits and opportunities of optoelectronic diamond systems.

Engineering - Electronic and electrical engineerin↗
DOE OSTI2024

Structure Function Studies of Photosystem II Using X-Ray Free Electron Lasers

The structure and mechanism of the water-oxidation chemistry that occurs in photosystem II have been subjects of great interest. The advent of X-ray free electron lasers allowed the determination of structures of the stable intermediate states and of steps in the transitions between these intermediate states, bringing a new perspective to this field. The room-temperature structures collected as the photosynthetic water oxidation reaction proceeds in real time have provided important novel insights into the structural changes and the mechanism of the water oxidation reaction. The time-resolved measurements have also given us a view of how this reaction—which involves multielectron, multiproton processes—is facilitated by the interaction of the ligands and the protein residues in the oxygen-evolving complex. These structures have also provided a picture of the dynamics occurring in the channels within photosystem II that are involved in the transport of the substrate water to the catalytic center and protons to the bulk.

59 BASIC BIOLOGICAL SCIENCES↗