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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Biosynthesis of t-Butyl in Apratoxin A: Functional Analysis and Architecture of a PKS Loading Module

The unusual feature of a t-butyl group is found in several marine-derived natural products including apratoxin A, a Sec61 inhibitor produced by the cyanobacterium Moorea bouillonii PNG 5-198. Here, we determine that the apratoxin A t-butyl group is formed as a pivaloyl acyl carrier protein (ACP) by AprA, the polyketide synthase (PKS) loading module of the apratoxin A biosynthetic pathway. AprA contains an inactive “pseudo” GCN5-related N-acetyltransferase domain (ΨGNAT) flanked by two methyltransferase domains (MT1 and MT2) that differ distinctly in sequence. Furthermore, structural, biochemical, and precursor incorporation studies reveal that MT2 catalyzes unusually coupled decarboxylation and methylation reactions to transform dimethylmalonyl-ACP, the product of MT1, to pivaloyl-ACP. Further, pivaloyl-ACP synthesis is primed by the fatty acid synthase malonyl acyltransferase (FabD), which compensates for the ΨGNAT and provides the initial acyl-transfer step to form AprA malonyl-ACP. Additionally, images of AprA from negative stain electron microscopy reveal multiple conformations that may facilitate the individual catalytic steps of the multienzyme module.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Modulating domain structures in Al2O3-based oxide heterostructures

Highlights: • The trigonal-structure Al{sub 2}O{sub 3} nanotubes and orthorhombic-structure Al{sub 2}O{sub 3} nanosheets are successfully synthesized under high temperature and analyzed based on the electron microscopy. • More importantly, the unexpected Mg-Al-O/Al{sub 2}O{sub 3} heterostructures nucleate, whereas the orthorhombic-structure Al{sub 2}O{sub 3} can effectively modulate the occurrence of monoclinic domains in Mg-Al-O. • This work may provide a meaningful insight for growing specific epitaxial films with suitable alumina substrate. - Abstract: Metal oxide has been the focus of research for decades. In this work, besides the trigonal-structure Al{sub 2}O{sub 3} nanotubes and orthorhombic-structure Al{sub 2}O{sub 3} nanosheets, novel Mg-Al-O/Al{sub 2}O{sub 3} heterostructure nanowires were successfully synthesized at high temperature. The structural characteristics of these oxides were investigated based on electron microscopy and group theory analysis. More importantly, it was found that incorporating the orthorhombic-structure Al{sub 2}O{sub 3} could effectively modulate the occurrence of monoclinic domains and thus the related properties of Mg-Al-O/Al{sub 2}O{sub 3} heterostructures. This work provides a reference for understanding and modulating the complex structures with multiple domain variants in Mg-Al-O oxides.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Detection of a pair density wave state in UTe2

Abstract Spin-triplet topological superconductors should exhibit many unprecedented electronic properties, including fractionalized electronic states relevant to quantum information processing. Although UTe 2 may embody such bulk topological superconductivity 1–11 , its superconductive order parameter Δ( k ) remains unknown 12 . Many diverse forms for Δ( k ) are physically possible 12 in such heavy fermion materials 13 . Moreover, intertwined 14,15 density waves of spin (SDW), charge (CDW) and pair (PDW) may interpose, with the latter exhibiting spatially modulating 14,15 superconductive order parameter Δ( r ), electron-pair density 16–19 and pairing energy gap 17,20–23 . Hence, the newly discovered CDW state 24 in UTe 2 motivates the prospect that a PDW state may exist in this material 24,25 . To search for it, we visualize the pairing energy gap with μeV-scale energy resolution using superconductive scanning tunnelling microscopy (STM) tips 26–31 . We detect three PDWs, each with peak-to-peak gap modulations of around 10 μeV and at incommensurate wavevectors P i =1,2,3 that are indistinguishable from the wavevectors Q i =1,2,3 of the prevenient 24 CDW. Concurrent visualization of the UTe 2 superconductive PDWs and the non-superconductive CDWs shows that every P i : Q i pair exhibits a relative spatial phase δϕ ≈ π. From these observations, and given UTe 2 as a spin-triplet superconductor 12 , this PDW state should be a spin-triplet PDW 24,25 . Although such states do exist 32 in superfluid 3 He, for superconductors, they are unprecedented.

Science & Technology - Other Topics↗
DOE OSTI2017

Effects of Residual Solvent Molecules Facilitating the Infiltration Synthesis of ZnO in a Nonreactive Polymer

Infiltration synthesis, the atomic-layer-deposition-based organic–inorganic material hybridization technique that enables unique hybrid composites with improved material properties and inorganic nanostructures replicated from polymer templates, is shown to be driven by the binding reaction between reactive chemical groups of polymers and perfusing vapor-phase material precursors. Here in this paper, we discover that residual solvent molecules from polymer processing can react with infiltrating material precursors to enable the infiltration synthesis of metal oxides in a nonreactive polymer. The systematic study, which combines in situ quartz crystal microgravimetry, polarization-modulated infrared reflection–absorption spectroscopy, X-ray photoelectron spectroscopy, and transmission electron microscopy, shows that the ZnO infiltration synthesis in nominally nonreactive SU-8 polymer is mediated by residual processing solvent cyclopentanone, a cyclic ketone whose Lewis-basic terminal carbonyl group can react with the infiltrating Lewis-acidic Zn precursor diethylzinc (DEZ). In addition, we find favorable roles of residual epoxy rings in the SU-8 film in further assisting the infiltration synthesis of ZnO. Lastly, the discovered rationale not only improves the understanding of infiltration synthesis mechanism, but also potentially expands its application to more diverse polymer systems for the generation of unique functional organic–inorganic hybrids and inorganic nanostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Blueprinting extendable nanomaterials with standardized protein blocks

A wooden house frame consists of many different lumber pieces, but because of the regularity of these building blocks, the structure can be designed using straightforward geometrical principles. The design of multicomponent protein assemblies, in comparison, has been much more complex, largely owing to the irregular shapes of protein structures. Here we describe extendable linear, curved and angled protein building blocks, as well as inter-block interactions, that conform to specified geometric standards; assemblies designed using these blocks inherit their extendability and regular interaction surfaces, enabling them to be expanded or contracted by varying the number of modules, and reinforced with secondary struts. Using X-ray crystallography and electron microscopy, we validate nanomaterial designs ranging from simple polygonal and circular oligomers that can be concentrically nested, up to large polyhedral nanocages and unbounded straight ‘train track’ assemblies with reconfigurable sizes and geometries that can be readily blueprinted. Because of the complexity of protein structures and sequence–structure relationships, it has not previously been possible to build up large protein assemblies by deliberate placement of protein backbones onto a blank three-dimensional canvas; the simplicity and geometric regularity of our design platform now enables construction of protein nanomaterials according to ‘back of an envelope’ architectural blueprints.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Reliability Implications of Solder in Multiwire Modules under Dynamic Mechanical Loading: Preprint

Two generations of multiwire modules were studied under dynamic mechanical loading (DML). The earlier generation module was found to use an In-based solder alloy, and the current generation a Bi-based alloy. The earlier generation module degraded significantly under DML with increasing resistance, while the state-of-the-art module did not demonstrate degradation under DML. The degradation in the earlier module was attributed to damage at the solder-gridline interfaces. Atomic force microscopy scratch testing estimated the wear resistance of each solder alloy to assess susceptibility to degradation. Bi-based alloys appear to be more wear resistant than In-based alloys, consistent with the DML results. These results indicate that current multiwire designs may have higher mechanical durability than earlier generations.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2024

Diagnosis of PV Cell Passivation Degradation Resulting from Hot-Humid, High Voltage Potential Aging

Corrosion of the antireflective coating on the cell ("AR c corrosion") was previously observed in studies using hot-humid test conditions with external high voltage (HV) bias. Because AR c corrosion is not well understood, mini-modules (MiMos) were examined in a comparative experiment using PERC and PERT as well as legacy Al-BSF cells. For separate MiMos with the cell circuit electrical at +1500 V, -1500 V, or unbiased "V oc", test conditions in the comparative study included 60degrees C/60% RH for 96 h, as in IEC TS 62804-1; 70degrees C/70%RH for 200 h; and 85degrees C/85% RH for 200 h. Characterizations at each read point included: camera and electroluminescence (EL) imaging, colorimetry, and I-V curve tracing. Characterizations at the final read point included: SunsVoc; spatially mapping external quantum efficiency (EQE); high resolution: photoluminescence (PL), EL, and dark lock-in thermographic (DLIT) imaging. Forensics were performed on extracted cores, including scanning electron microscopy (SEM) with energy-dispersive X-ray spectroscopy (EDS) and scanning Auger microscopy (SAM). Forensics were also conducted on MiMos (stepped HV aging) and full-sized modules (outdoor aging) from previous studies. AR c corrosion was specifically observed for the glass/encapsulant/cell side of +1500 V (HV+) stressed MiMos, where appearance, color, and reflectance were the characteristics most distinguished relative to simultaneously occurring degradation modes. SEM/EDS and SAM identified conversion of silicon nitride to silicon oxide or hydrous silica, preferentially occurring at the edges and tips of the pyramidal textured cell surface.

aging↗
DOE OSTI2024

Kainate receptor channel opening and gating mechanism

Kainate receptors, a subclass of ionotropic glutamate receptors, are tetrameric ligand-gated ion channels that mediate excitatory neurotransmission. Kainate receptors modulate neuronal circuits and synaptic plasticity during the development and function of the central nervous system and are implicated in various neurological and psychiatric diseases, including epilepsy, depression, schizophrenia, anxiety and autism. Although structures of kainate receptor domains and subunit assemblies are available, the mechanism of kainate receptor gating remains poorly understood. Here we present cryo-electron microscopy structures of the kainate receptor GluK2 in the presence of the agonist glutamate and the positive allosteric modulators lectin concanavalin A and BPAM344. Concanavalin A and BPAM344 inhibit kainate receptor desensitization and prolong activation by acting as a spacer between the amino-terminal and ligand-binding domains and a stabilizer of the ligand-binding domain dimer interface, respectively. Channel opening involves the kinking of all four pore-forming M3 helices. Our structures reveal the molecular basis of kainate receptor gating, which could guide the development of drugs for treatment of neurological disorders.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Laser-Induced Enhancement of Acoustic Mode Quality Factor Revealed by Correlated Single-Particle Optical and Electron Microscopy

Acoustic modes in plasmonic nanostructures provide fundamental insights into their optomechanical behavior at the nanoscale, enabling emerging applications in plasmon-enhanced optomechanics, ultrasensitive sensing, and nanoscale energy transduction. Here we explore the modulation of acoustic phonon dynamics in lithographically fabricated gold nanodisks via laser-induced photothermal annealing. Using a correlated approach that utilizes both single-particle transient extinction spectroscopy and advanced electron microscopy, we directly link nanoscale structural transformations to changes in mechanical properties as probed through the coherence of the excited acoustic modes. Specifically, ultrafast pump–probe microscopy reveals an enhancement in the acoustic mode quality factor of annealed gold nanodisks, indicative of reduced damping and improved vibrational coherence. Structural characterization via scanning electron microscopy and electron backscatter diffraction confirms that photoinduced annealing results in smoother surface morphology and overall enhanced crystallinity. The improved crystalline order reduces defect and crystal boundary scattering, which we suggest as the reason underlying the lower quality factor before annealing. Furthermore, these findings demonstrate that targeted structural engineering at the nanoscale offers a powerful strategy for optimizing the optomechanical performance of plasmonic nanostructures, with broad implications for the design of next-generation nanophotonic and optomechanical systems.

Annealing (metallurgy)↗
DOE OSTI2020

Failure analysis of field-failed bypass diodes

Defective bypass diodes are often found as the largest factor leading to power loss in solar modules. Here, we report on failure mechanisms by investigating shunted bypass diodes from a rooftop installation, using a combination of multiple characterizations including current–voltage analysis, thermal-runaway testing, X-ray computed tomography, lock-in thermography, focused ion-beam cross-section imaging, chemical decapsulation, optical microscopy, and scanning electron microscopy with energy-dispersive X-ray spectroscopy. Differing from static discharge typically associated with lightning strikes on modules, we found diode failure by the mechanism of thermal damage under continuous, long-term overstress in forward bias. Our conclusion is based on evidence of energy dissipated—the small to medium extent of melt-through on the Schottky diode face. The diode failure shows distortions or roughening of the Schottky diode metal-semiconductor interface with the die attach, and some failures are accompanied by die-attach solder melting. We propose that nonuniform irradiance on the modules caused diode shunting due to extended periods of heat dissipation in the modules, because modules in this string were placed in two different orientations. In contrast, a second parallel module string of the same module type on the same rooftop with a unique plane of array did not show any diode failures. The thermal damage failure of melt-through was caused by the long-term current generated by overstressing of diodes that may have had crystalline and impurity defects.

14 SOLAR ENERGY↗
DOE OSTI2021

Advances in Coring Procedures of Silicon Photovoltaic Modules

We describe advances on procedures used for the coring of silicon photovoltaic modules. These procedures involve coring specific locations, starting from the back of the modules, and removing selected parts of the cell structure, while preserving the front tempered glass. The standard coring procedures had to be modified from case to case due to the different cell structures and measurement requirements. We provide examples of the characterization of the cored samples by scanning electron microscopy and energy-dispersive X-ray spectroscopy. Finally, we describe a simple process to create small openings at specific locations on the back of photovoltaic modules to allow for efficiency-related measurement of individual cells and groups of cells.

41 EE - Solar Energy Technologies Office (EE-4S)↗
DOE OSTI2019

Selective conversion of CO into ethanol on Cu(511) surface reconstructed from Cu(pc): Operando studies by electrochemical scanning tunneling microscopy, mass spectrometry, quartz crystal nanobalance, and infrared spectroscopy

A polycrystalline copper, surface-terminated by a well-defined (511)-oriented facet, was electrochemically generated by a series of step-wise surface reconstruction and iterations of mild oxidative-reductive processes in 0.1 M KOH. The electrochemical reduction of CO on the resultant stepped surface was investigated by four surface-sensitive operando methodologies: electrochemical scanning tunneling microscopy (STM), electrochemical quartz crystal nanobalance (EQCN), differential electrochemical mass spectrometry (DEMS), and polarization-modulation infrared spectroscopy (PMIRS). The stepped surface catalyzed the facile conversion of CO into ethanol, the exclusive alcohol product at a low overpotential of -1.06 V (SHE) or -0.3 V (RHE). The chemisorption of CO was found to be a necessary prelude to ethanol production; i.e. the surface coverages, rather than solution concentrations, of CO and its surface-bound intermediates primarily dictate the reaction rates (current densities). Contrary to the expected predominance of undercoordinated step-site reactivity over the coordination chemistry of vicinal surfaces, vibrational spectroscopic evidence reveals the involvement of terrace-bound CO adsorbates during the multi-atomic transformations associated with the production of ethanol.

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

Development of a universal nanobody-binding Fab module for fiducial-assisted cryo-EM studies of membrane proteins

Structural studies of membrane proteins by cryogenic electron microscopy (cryo-EM) often require antibody fragments (Fabs) to facilitate particle alignments and achieve high resolution. While conformational nanobodies have been developed to lock specific states of many membrane proteins, they only add 15 kDa of mass to the complex. We developed a synthetic Fab (NabFab) that rigidly binds the conserved scaffold of nanobodies, providing a universally applicable fiducial for cryo-EM studies of protein–nanobody complexes. Additionally, we demonstrate the concept by determining two high-resolution structures of membrane proteins bound to specific nanobodies and NabFab. As the structural epitope for NabFab can be incorporated into the scaffold of virtually any nanobody, this raises the prospect of facile structure determination of many nanobody–protein complexes.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Understanding polaronic transport in complex oxides by combining precise synthesis and first-principles many-body theory

In complex oxides, charge carriers often couple strongly with lattice vibrations to form polarons–entangled electron–phonon quasiparticles whose transport properties remain difficult to characterize. Experimental access to intrinsic polaronic transport requires ultraclean samples, while theoretical description demands methods beyond low-order perturbation theory. Here, we show a predictive theory–experiment workflow to study polaron transport in complex oxides. Focusing on a prototypical polaronic oxide, anatase TiO 2 , we combine growth of high-quality oxygen-vacancy-doped films using hybrid molecular beam epitaxy with a first-principles electron–phonon diagrammatic Monte-Carlo (FEP-DMC) framework recently developed for accurate polaron predictions. Our films exhibit record-high electron mobility for anatase TiO 2 , in excellent agreement with FEP-DMC calculations conducted prior to experiment, which predict a room-temperature mobility of 45 ± 15 cm −2 V −1 s −1 and a mobility-temperature scaling of μ ∝ T −1.9 ± 0.077 . Microscopic analysis using scanning transmission electron microscopy and x-ray photoelectron spectroscopy reveals the role of oxygen vacancies in modulating transport at lower temperatures. FEP-DMC further provides quantitative insight into polaron formation energy, phonon cloud distribution, lattice distortion around the polaron, and the polaronic contribution to mobility. Together, these results provide a deeper microscopic understanding of large-polaron transport in a complex oxide and provide the blueprint to characterize other polaronic materials.

anatase TiO2↗
DOE OSTI2026

Discovery of spontaneous mesoscopic strain waves in nematic domains using dark-field x-ray microscopy

Electronic nematic order arises when correlated electrons spontaneously break the rotational symmetry of a crystal lattice. When electronic nematic order couples bilinearly to symmetry-breaking lattice strain, both appear together at a single ferroelastic phase transition, producing structural twin domains with distinct orientations of the nematic director. While the effects of applied strain on these domains are well established, the intrinsic behavior of spontaneous subdomain strain fields has remained unexplored. Here, we report the discovery of spontaneous mesoscopic strain waves within individual nematic domains of an iron-based superconductor, observed using dark-field x-ray microscopy (DFXM). Using this advanced full-field imaging technique, we visualize subdomain strain modulations emerging concurrently with nematic order. Elastic compatibility relations governing inhomogeneous strains provide a natural mechanism for the strain waves. Our findings reveal a broadly relevant form of strain self-organization and position DFXM as a powerful probe of the local interplay between lattice strain and electronic order.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Reprint of "Selective conversion of CO into ethanol on Cu(511) surface reconstructed from Cu(pc): Operando studies by electrochemical scanning tunneling microscopy, mass spectrometry, quartz crystal nanobalance, and infrared spectroscopy"

A polycrystalline copper, surface-terminated by a well-defined (511)-oriented facet, was electrochemically generated by a series of step-wise surface reconstruction and iterations of mild oxidative-reductive processes in 0.1 M KOH. The electrochemical reduction of CO on the resultant stepped surface was investigated by four surface-sensitive operando methodologies: electrochemical scanning tunneling microscopy (STM), electrochemical quartz crystal nanobalance (EQCN), differential electrochemical mass spectrometry (DEMS), and polarization-modulation infrared spectroscopy (PMIRS). The stepped surface catalyzed the facile conversion of CO into ethanol, the exclusive alcohol product at a low overpotential of -1.06 V (SHE) or - 0.3 V (RHE). Additionally, the chemisorption of CO was found to be a necessary prelude to ethanol production; i.e. the surface coverages, rather than solution concentrations, of CO and its surface-bound intermediates primarily dictate the reaction rates (current densities). Contrary to the expected predominance of undercoordinated step-site reactivity over the coordination chemistry of vicinal surfaces, vibrational spectroscopic evidence reveals the involvement of terrace-bound CO adsorbates during the multi-atomic transformations associated with the production of ethanol.

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

Emergent properties at oxide interfaces controlled by ferroelectric polarization

Abstract Ferroelectric materials are characterized by the spontaneous polarization switchable by the applied fields, which can act as a “gate” to control various properties of ferroelectric/insulator interfaces. Here we review the recent studies on the modulation of oxide hetero-/homo-interfaces by ferroelectric polarization. We discuss the potential applications of recently developed four-dimensional scanning transmission electron microscopy and how it can provide insights into the fundamental understanding of ferroelectric polarization-induced phenomena and stimulate future computational studies. Finally, we give the outlook for the potentials, the challenges, and the opportunities for the contribution of materials computation to future progress in the area.

Chemistry↗
DOE OSTI2020

Decay of Electrostatic Force of Dust Particles on Photovoltaic Modules

Photovoltaic (PV) energy yield loss due to solar module soiling has become increasingly important as solar module deployment is now at the hundreds of gigawatts scale and continues to grow rapidly. We have reported on direct measurements-using atomic force microscopy (AFM)-of strong electric-field-induced attraction and adhesion force (Fes) of dust particles onto solar panel that are 1 to 2 orders of magnitude stronger than the van der Waals and water capillary forces, corroborated by observing the increase in system voltage-induced soiling rate. Here, we report another characteristic of Fes on soiling-long lasting or slow decay after turning off the high voltage applied to solar panels. The Fes decay time varies in a wide time range of 1 to 10 hours, depending on two factors: 1) either/both the cell or/and particle were charged with high voltage before the voltages were turned off; and 2) how the cell was connected to the ground after the voltage was turned off-either connected through the power supply electronics, directly connected to the ground, or electrically floated. The Fes decay is understood in terms of 1) net electrical charge dissipations in both particle and cell, 2) thermal disordering of dipole polarization in the module glass dielectrics, and 3) charge redistribution by the electrostatic interaction of particle and module glass. This long-lasting Fes for hours can significantly affect the solar panel soiling after sunset, especially combined with water condensation.

14 SOLAR ENERGY↗