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At least 811 records · Page 45

Microstructural and optical properties of nanocrystalline ZnO deposited onto vertically aligned carbon nanotubes by physical vapor deposition

Nanocrystalline ZnO films with thicknesses of 5 nm, 10 nm, 20 nm, and 50 nm were deposited via magnetron sputtering onto the surface of vertically aligned multi-walled carbon nanotubes (MWCNTs). The ZnO/CNTs heterostructures were characterized by scanning electron microscopy, high resolution transmission electron microscopy, and X-ray diffraction studies. No structural degradation of the CNTs was observed and photoluminescence (PL) measurements of the nanostructured ZnO layers show that the optical properties of these films are typical of ZnO deposited at low temperatures. The results indicate that magnetron sputtering is a viable technique for growing heterostructures and depositing functional layers onto CNTs.

36 MATERIALS SCIENCE↗

Electrochemically synthesized visible light absorbing vertically aligned N-doped TiO{sub 2} nanotube array films

Graphical abstract: Display Omitted Highlights: ► Single step electrochemical synthesis of N-doped TiO{sub 2} nanotube array films. ► Effective substitutional N-doping achieved. ► Different N-concentrations were achieved by varying the N-precursor concentration in the electrolyte. ► Visible light absorption observed at high N-doping. -- Abstract: Visible light absorbing vertically aligned N-doped anatase nanotube array thin films were synthesized by anodizing Ti foils in ethylene glycol + NH{sub 4}F + water mixture containing urea as nitrogen source. Different nitrogen concentrations were achieved by varying the urea content in the electrolyte. The structure, morphology, composition and optical band gap of the nanotube arrays were determined by X-ray diffraction, scanning electron microscopy, X-ray photoelectron spectroscopy (XPS) and diffuse reflectance spectroscopy, respectively. The substitution of O{sup 2−} ions by N{sup 3−} ions in the anion sublattice as well as the formulae of the doped samples was confirmed from the results of XPS. The optical band gap of the nanotube arrays was found to decrease with N-concentration. The sample with the highest concentration corresponding to the formula TiO{sub 1.83}N{sub 0.14} showed two regions in the Tauc's plot indicating the presence of interband states.

36 MATERIALS SCIENCE↗

Photoelectrochemical performance of CdS nanorods grafted vertically aligned TiO{sub 2} nanorods

Graphical abstract: - Highlights: • TiO{sub 2} nanorods/CdS nanorods composite samples were successfully achieved. • The photocurrent density increased by 100 percent compared with pure TiO{sub 2}. • Photocurrent density increase mechanism of this photoanode was also forecasted. - Abstract: In this study, TiO{sub 2} nanorods/CdS nanorods composite samples were successfully synthesized by grafting CdS nanorods on vertically aligned TiO{sub 2} nanorods. A two-step hydrothermal method was used to prepare the samples. Some properties of the samples, such as morphological, structural, and optical properties were characterized by energy-dispersive X-ray detection, field emission scanning electron microscopy, X-ray diffraction, Raman spectroscopy, and ultraviolet-visible spectroscopy. Moreover, photoelectrochemical properties were studied via current-voltage and photocurrent spectrum measurements. The results showed that CdS nanorods grafted on top of TiO{sub 2} nanorods like a lawn. The amount grafted as well as the diameter and crystallinity of CdS nanorods increased first and then decreased as the grafting time increased, due to Ostwald ripening. Under the back-side illumination, the composite film with 2 h grafting time exhibited the highest photocurrent density which was almost twice of that of the pure TiO{sub 2} nanorods.

36 MATERIALS SCIENCE↗

Reduced graphene oxide and vertically aligned carbon nanotubes superhydrophilic films for supercapacitors devices

Graphical abstract: - Highlights: • Graphene nanosheets were produced onto wire rods. • RGO and VACNT-O were evaluated and compared as supercapacitor electrode. • RGO and VACNT-O have structural and electrochemical properties quite similars. • The materials present good specific capacitance, energy storage and power delivery. - Abstract: Reduced graphene oxide (RGO) and vertically aligned carbon nanotubes (VACNT) superhydrophilic films were prepared by chemical vapor deposition techniques for electrical energy storage investigations. These electrodes were characterized in terms of their material and electrochemical properties by scanning electron microscopy (SEM), surface wettability, Fourier transform infrared spectroscopy (FTIR), energy dispersive and Raman spectroscopies, cyclic voltammetry (CV) and galvanostatic charge–discharge. We observed several physical structural and electrochemical similarities between these carbon-based materials with particular attention to very good specific capacitance, ultra-high energy storage and fast power delivery. Our results showed that the main difference between specific capacitance values is attributed to pseudocapacitive contribution and high density of multiwall nanotubes tips. In this work we have tested a supercapacitor device using the VACNT electrodes.

36 MATERIALS SCIENCE↗

Structural and optical properties of dense vertically aligned ZnO nanorods grown onto silver and gold thin films by galvanic effect with iron contamination

Highlights: • ZnO nanorods were grown on Au and Ag films in aqueous solution by galvanic effect. • The method is prone to metal contamination which can influence the ZnO properties. • Iron doping improves the lattice matching between ZnO and the substrate. • Energy levels of point defects are lowered and the light emission is red-shifted. • Galvanic-induced nucleation starts and proceeds continuously during the growth. - Abstract: Dense arrays of vertically aligned ZnO nanorods have been grown onto either silver or gold seedless substrates trough a simple hydrothermal method by exploiting the galvanic effect between the substrate and metallic parts. The nanorods exhibit larger bases and more defined hexagonal shapes, in comparison with standard non-galvanic wet-chemistry synthesis. X-ray diffraction (XRD) shows that the iron contamination, associated with the galvanic contact, significantly improves the in-plane compatibility of ZnO with the Au and Ag cubic lattice. Photoluminescence (PL) measurements indicate that the contamination does not affect the number density of localized defects, but lowers their energy levels uniformly; differently, the band-edge emission is not altered appreciably. Finally, we have found that the ZnO hetero-nucleation by galvanic effect initiates at different times in different sites of the substrate area. Our results can be useful for the fabrication of high performance piezonanodevices comprising high-density metal-to-ZnO nanoscaled junctions without intermediate polycrystalline layers.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Synthesis of radially aligned nano-rutile modified with Au and Ni for the photodegradation of methyl orange

Radially aligned nano-rutile (RANR) was synthesized using the hydrothermal technique. The RANR structure was formed by the radial aggregation of nanorods with an average width of 9 nm. The radii of RANR ranged between 1.2–1.6 μm. Au and Ni (0.5–10 wt.%) nanoparticles were deposited on the tips of RANR by the deposition-precipitation method using urea. The UV–vis DRS spectrum of RANR had a band edge at 3.2 eV, whereas those of Ni-RANR and Au-RANR were characterized by reflectance peaks that extended into the visible part of the spectrum, with Au-RANR having an SPR peak at 2.25 eV. Photoluminescence studies showed that loading RANR with Ni and Au reduced the recombination rate of the charge carriers. The photodegradation efficiency of the various materials was tested on methyl orange using solar simulator radiation source. RANR was the least efficient material, followed by Ni-RANR composites, with Au-RANR composites having the highest activity.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Acid-free approach towards the growth of vertically aligned TiO2 nanorods as an efficient photoanode for dye-sensitized solar cells

Highlights: • Vertically aligned TiO{sub 2} NRs are fabricated by an acid-free hydrothermal approach. • Study the effect of TiO{sub 2} NRs growth parameters on its structural/optical properties. • The optimized TiO{sub 2} NRs were employed as an efficient photoanode for DSSCs. • An optimal PCE of 2.45% was achived by DSSC with TiO{sub 2} NRs with heights of ∼1.56 μm. - Abstract: We synthesized the closely packed titanium dioxide nanorods (TiO{sub 2} NRs) on fluorine-doped tin oxide (FTO) glass by a facile and cost-effective hydrothermal method. The TiO{sub 2} NRs were further utilized as a photoanode for dye-sensitized solar cells (DSSCs). For hydrothermal growth of TiO{sub 2} NRs, we utilized an acid-free reaction medium instead of a strong acidic medium, which can reduce the equipment cost as well as the environmental damages. Before employing these TiO{sub 2} NRs for DSSCs as a photoanode, the effects of hydrothermal growth parameters on the structural and optical characteristics of TiO{sub 2} NRs/FTO glass were investigated. Eventually, the TiO{sub 2} NRs with optimized height and diameter were employed to DSSCs and their photovoltaic characteristics were examined.

14 SOLAR ENERGY↗

Shock compression of additively manufactured high solids loaded polymer composites with aligned porosity

The effects of aligned porosity on the shock-compression response of additively manufactured (AM) composite structures with collinear and log-cabin geometries are investigated. The composites contain two inorganic and two organic particle populations and a UV-curable polymer binder. X-ray phase contrast imaging (X-PCI) is used as an in-material diagnostic in plate-impact experiments performed at the Dynamic Compression Sector of the Advanced Photon Source at the Argonne National Laboratory. Macroscale shock and particle velocities and microscale pore collapse velocities are measured from X-PCI images obtained from samples impacted in various orientations relative to the AM build directions. The linear shock and particle velocity relation for the structures with collinear build geometry shows directional differences, with the build direction exhibiting the highest slope and the filament print direction having the shallowest slope. Composites with log-cabin geometry, due to their slightly lower porosity and smaller sized pores, show higher shock velocities than the collinear structures at the same particle velocity. Microscale directionality effects are also observed, with the pore collapse velocity dependent on the pore configuration. Specifically, the pore collapse velocity is highest for pores elongated along the impact direction which is the case for the colinear structures impacted in the filament print direction, which is consistent with the directionality trend observed in the data for the shock and particle velocity equation of state. The pore collapse velocity approaches ∼80 % of the shock velocity and is several times the average bulk particle velocity, suggesting a highly hydrodynamic mechanism of pore collapse. Overall, both the macroscale response as measured by the shock and particle velocity relationship, and the microscale response as measured by the pore collapse velocity, are found to be anisotropic and dependent on the AM composite structure.

Wagner, K. B. [Georgia Institute of Technology, At↗

Tunable, room-temperature multiferroic Fe-BaTiO 3 vertically aligned nanocomposites with perpendicular magnetic anisotropy

Room-temperature ferromagnetic materials with perpendicular magnetic anisotropy are widely sought after for spintronics, magnetic data storage devices, and stochastic computing. To address this need, a new Fe-BaTiO 3 vertically aligned nanocomposite (VAN) has been fabricated—combining both the strong room-temperature ferromagnetic properties of Fe nanopillars and the strong room-temperature ferroelectric properties of the BaTiO 3 matrix. Furthermore, the Fe-BaTiO 3 VAN allows for highly anisotropic magnetic properties with tunable magnetization and coercivity. Additionally, to demonstrate the multiferroic properties of the Fe-BaTiO 3 system, the new metal-oxide hybrid material system has been incorporated in a multilayer stack. Overall, this new multiferroic VAN system possesses great potential in magnetic anisotropy and property tuning and demonstrates a new material family of oxide-metal hybrid systems for room-temperature multiferroic material designs.

36 MATERIALS SCIENCE↗

A programmable time alignment scheme for detector signals from the upgraded muon spectrometer at the ATLAS experiment

We present a programmable time alignment scheme used in an ASIC for the ATLAS forward muon trigger development. The scheme utilizes regenerated clocks with programmable phases to compensate for the timing offsets introduced by different detector trace lengths. Each ASIC used in the design has 104 input channels with delay compensation circuitry providing steps of ~ 3 ns and a full range of 25 ns for each channel. Detailed implementation of the scheme including majority logic to suppress single-event effects is presented. The scheme is flexible and fully synthesizable. Here, the approach is adaptable to other applications with similar phase shifting requirements. In addition, the design is resource efficient and is suitable for cost-effective digital implementation with a large number of channels.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Characterization and alignment of a resonant cavity beam position monitor for the Compact LInear Collider (CLIC) project at CERN

Beam diagnostic devices are essential tools to sense the properties of the beam in particle accelerators. Beam Position Monitors (BPMs) are used to detect the transverse beam spatial coordinates. A large number of high-resolution resonant cavity BPMs, operating at 14GHz, are proposed to monitor the orbit of the two main beam linacs of the CLIC project. This paper discusses innovative calibration techniques on a dedicated test bench in the frame of the PACMAN project. The particular location of the electromagnetic center of the resonant cavity BPM is detected utilizing a stretched-wire measurement approach. Measurements, RF characterization and final fiducialization of the BPM electrical offset are treated with details. Initial studies through EM simulations of the cavity BPM are covered. The presented experimental results prove the feasibility of the alignment methodology with nanometric resolution.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Novel X-ray scanning technique for in-situ alignment of photo-detectors in the MEGII calorimeter

Here, we describe and show results of a novel technique to measure with high precision the positions of photodetectors installed in the upgraded liquid xenon calorimeter of the MEG II experiment. The measurement was done by detecting the signal in individual photo-detectors as the front surface of the calorimeter was scanned in axial (Z) and azimuthal (Φ) directions with a precisely controlled, thin, collimated beam of X-rays obtained from a 57 CoX-ray source. The measurements were made when the calorimeter was cold and operational, under which conditions they could not otherwise be made. This technique is used to check for changes in the photodetector positions due to the effects of cooling and thermal cycling of the support structure and to provide a reference between the positions of the operational photodetectors and alignment markers on the cryostat exterior. The use of an essentially monochromatic X-ray source allowed ancillary measurements of photodetector properties, including pulse shape, relative gain, and variation in response over the photodetector surface. Measurement uncertainties below 0.6mm in Z and 0.7 mrad in Φ have been achieved, well within the requirements for the MEG II performance.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Aligning theoretical and empirical representations of soil carbon-to-nitrogen stoichiometry with process-based terrestrial biogeochemistry models

Soil carbon-nitrogen (C:N) stoichiometry acts as a control over decomposition and soil organic matter formation and loss, making it a key soil property for understanding ecosystem dynamics and projected ecosystems responses to global environmental change. However, the controls of soil C:N and how they respond to increasing pressures from global change agents are not fully understood. The “foundational” controls on soil C:N, namely plant and microbial C:N, have been used to predict soil C:N, but fail to accurately simulate all ecosystems and may be insufficient for predictions under global environmental change. Here we present an “emerging” representation of controls of soil C:N that includes plant-microbe-mineral feedbacks that have been shown to regulate soil C:N. We argue that including representation of these emerging drivers in process-based terrestrial biogeochemistry models, which include biological N fixation, mycorrhizae, priming, root exudation of organic acids, and mineralogy (including soil texture, mineral composition, and aggregation), will improve mechanistic representation of soil C:N and associated processes. Such improvements will produce models that will better simulate a variety of ecological states and predict soil C:N when global changes modify plant-microbe-mineral interactions. Here, we align our empirical understanding of controls of soil C:N with those controls represented in models, identifying contexts where emerging drivers might be particularly important to represent (e.g., priming and root exudation in nutrient-limited conditions) and areas of future work. Additionally, we show that implementing emerging drivers of soil C:N results in different simulated outcomes at steady state and in response to elevated atmospheric CO2. Our review and preliminary simulations support the need to incorporate emerging drivers of soil C:N into process-based terrestrial biogeochemistry models, allowing for both theoretical exploration of mechanisms and potentially more accurate predictions of land biogeochemical responses to global change.

54 ENVIRONMENTAL SCIENCES↗

Reactive ion etched, self-aligned, selective area poly-Si/SiO 2 passivated contacts

Front/back poly-Si/SiO 2 contact devices suffer from low short-circuit current density, J sc , due to parasitic optical absorption in the front poly-Si layer. Thin poly-Si (~20 nm) allows for high J sc but is not compatible with screen-printed fire-through contacts. We therefore study the effects of post-deposition etching of a thick poly-Si (200 nm) front layer by reactive ion etching (RIE) using the metal grid lines as a self-aligned mask. We show that passivation is maintained in the device during RIE and that J sc is increased by a gain in the blue quantum efficiency response. However, our specific etching parameters cause non-uniform etching of the poly-Si leading to premature loss of passivation without optimal gain in J sc . Etched, unpassivated layers can be re-passivated with a H-containing dielectric layer leading to a gain in Jsc, open circuit voltage, V oc , Fill-Factor, FF, and efficiency.

14 SOLAR ENERGY↗

Mitigation of shunt in poly -Si/SiO$_{x}$ passivated interdigitated back contact monocrystalline Si solar cells by self-aligned etching between doped fingers

Polycrystalline silicon on silicon oxide (poly-Si/SiO x ) passivating contacts can be used for ultra-high-efficiency interdigitated back contact (IBC) monocrystalline silicon solar cells. We evaluate the use of intrinsic poly-Si for the region that isolates the p- and n-type fingers at the back side of IBC devices. To mitigate shunt across the isolation region between the doped p- and n-type fingers, we demonstrate self-aligned subtractive processing by etching the poly-Si in the isolation region using SF6 plasma followed by etching in a tetramethylammonium hydroxide (TMAH) solution. After removal of the poly-Si, the isolation region was passivated with SiN x and Al 2 O 3 , which resulted in an 11.7% increase in the fill factor in a 19.8% efficient device. Furthermore, we evaluate the limitations of this device through Suns-V oc analysis and simulations using SunSolve and Quokka3 solar cell simulation software. Through Quokka3, we show that the most significant efficiency losses come from junction recombination current (J 02 ) in the isolation region between doped fingers. We predict that the cell efficiency can be most improved with reduced J 02 through better isolation of heavily doped fingers by etching the isolation region deeper into the bulk or through enhanced surface chemical passivation in this region.

14 SOLAR ENERGY↗

A physiologically based pharmacokinetic (PBPK) model to align dosimetry of the isobutyl metabolic series in rats and humans

Here, we developed a physiologically based pharmacokinetic (PBPK) model in rats and humans for the isobutyl metabolic series including isobutyl acetate, isobutanol, isobutyraldehyde, and isobutyric acid. Chemical manufactures routinely use these compounds as solvents, for chemical synthesis, as potential biofuels, de-icing fluids, and additives for food and/or fragrance in consumer products. Human exposure to isobutyl compounds can occur through inhalation or oral routes. We previously developed a PBPK model for the propyl metabolic series and utilized it as a framework to create the isobutyl PBPK model due to the chemical similarities between the two series. To support model development, we measured in vitro metabolism of isobutyl acetate in rat and human blood and liver S9 fractions. Compared to rats, humans demonstrated faster isobutyl acetate hydrolysis in liver S9 fractions, while the hydrolysis rates in blood were similar between the two species. We used concentrations of isobutyl compounds measured in air and blood from rats exposed to isobutyl acetate and isobutanol as well as other published data to further parameterize the model. Following exposure to either isobutyl acetate or isobutanol, we observed isobutanol concentrations highest among the isobutyl compounds in the blood of rats. Overall, the model accurately predicts measured time course concentrations of isobutyl acetate, isobutanol, and isobutyric acid in available data in rats and humans. Sensitivity analyses identified alveolar ventilation rates, isobutyl metabolism rates, and cardiac output as the most sensitive parameters affecting concentrations of isobutyl compounds in blood. The isobutyl PBPK model enables comparisons of internal dose metrics across various isobutyl compound exposures and species and allows for calculation of equivalent external exposures that result in the same dose metric. Regulators can employ this PBPK model to predict and align internal dose metrics of isobutyl compounds for risk assessment purposes.

2-methyl-1-propanol↗

Ultrahigh-Resolution Differential Ion Mobility Separations of Conformers for Proteins above 10 kDa: Onset of Dipole Alignment?

Biomacromolecules tend to assume numerous structures in solution or the gas phase. It has been possible to resolve disparate conformational families but not unique geometries within each, and drastic peak broadening has been the bane of protein analyses by chromatography, electrophoresis, and ion mobility spectrometry (IMS). The new differential IMS (FAIMS) approach using hydrogen-rich gases was recently found to separate conformers of a small protein ubiquitin with same peak width and resolving power up to ~400 as for peptides. Present work explores the reach of this approach for larger proteins, exemplified by cytochrome c and myoglobin. Resolution similar to that for ubiquitin was largely achieved with longer separations, while the onset of peak broadening and coalescence with shorter separations suggests the limitation of present technique to proteins under ~20 kDa. This capability may enable distinguishing whole proteins with differing residue sequences or localizations of posttranslational modifications. Small features at negative compensation voltages that markedly grow from cytochrome c to myoglobin indicate the dipole alignment of rare conformers in accord with theory, further supporting the concept of pendular macroions in FAIMS.

Environmental Molecular Sciences Laboratory↗

Preferential CH 3 NH 3 + Alignment and Octahedral Tilting Affect Charge Localization in Cubic Phase CH 3 NH 3 PbI 3

Hybrid organic–inorganic perovskites (CH3NH3PbI3) have gained prominence in recent years due to their fascinating electronic properties and potential for commercial application in photovoltaics and optoelectronics. One of their intriguing features is in the structure itself and the role played by the organic cation CH3NH3+ (MA+). In this study, we implement first-principles-based methods to take a static look at this dynamic system, which may shed some light on the preferential orientation of MA+ and its impact. We find there is a lattice energy gain in cubic CH3NH3PbI3, when going from a pristine host supercell with [100] MA+ orientation to a distorted host consisting of preferentially aligned MA+ and tilted PbI6 octahedra. Reoriented MA+ and octahedral tilting are also accompanied by larger number of (N–H3)···I hydrogen bonds. This lattice reconfiguration may support charge localization as evidenced by larger 216-atom supercell calculations. The localization behavior is a consequence of lattice polarization (reoriented MA+ and tilted octahedra) which spreads across multiple unit cells and thus may not be strongly bound small polarons.

Kang, Byungkyun↗