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At least 217 records · Page 12

Ceria nanoclusters on graphene/Ru(0001): A new model catalyst system

The growth of ceria nanoclusters on single-layer graphene on Ru(0001) has been examined, with a view towards fabricating a stable system for model catalysis studies. The surface morphology and cluster distribution as a function of oxide coverage and substrate temperature has been monitored by scanning tunneling microscopy (STM), whereas the chemical composition of the cluster deposits has been determined by Auger electron spectroscopy (AES). The ceria nanoparticles are of the CeO2(111)-type and are anchored at the intrinsic defects of the graphene surface, resulting in a variation of the cluster densities across the macroscopic sample surface. The ceria clusters on graphene display a remarkable stability against reduction in ultrahigh vacuum up to 900 K, but some sintering of clusters is observed for temperatures >450 K. The evolution of the cluster size distribution suggests that the sintering proceeds via a Smoluchowski ripening mechanism, i.e. diffusion and aggregation of entire clusters.

Ceria, CeO2, nanoclusters, graphene, Ru(0001), Smo↗

Arsenic ambient conditions preventing surface degradation of GaAs during capless annealing at high temperatures

Changes in surface morphology and composition caused by capless annealing of GaAs were studied as a function of annealing temperature, T(GaAs), and the ambient arsenic pressure controlled by the temperature, T(As), of an arsenic source in the annealing ampul. It was established that any degradation of the GaAs surface morphology could be completely prevented, providing that T(As) was more than about 0.315T(GaAs) + 227 C. This empirical relationship is valid up to the melting point temperature of GaAs (1238 C), and it may be useful in some device-processing steps.

Kang, C. H.↗

Formation and surface melting of nanoparticle superlattices in a solution

The wisdom in the saying of “There are no two snowflakes alike” lies in the importance of history or kinetic pathways in the phase transitions of solids. Likewise, “artificial solids,” namely superlattices consisting of functional nanoparticles, have lattice size, surface morphology, crystallinity, symmetry, and structural reconfiguration (for example, transition into a disordered state) highly dependent on the kinetic pathways as the nanoparticles interact with each other in solution [1]. Great progresses have been made in understanding the formation pathways of superlattices using liquid-phase transmission electron microscopy (TEM) [2-4]. For example, by tracking single nanoparticle’s trajectories, especially aided by U-net neural network-based machine learning, previous studies mapped the fundamental nanoparticle interactions at nanometer resolution [5]. Nonclassical, two-step nucleation pathway has also been elucidated in the system of nanoprisms, by optimizing protocols such as loading nanoparticle suspensions over the supersaturation threshold and minimizing particle‒substrate interaction [2]. Surface morphologies or exposed facets of superlattices have been shown to follow the principles of Wulff construction rule, where the facet-dependent surface energy can be measured based on the capillary wave theory [4]. However, the reverse process of crystallization of superlattices, the conversion from crystalline to disordered state, has been much less explored. On one hand, the melting of nanoparticle superlattices can provide a preferred pathway to induce structural reorganization or shuffling of building blocks for them to transform into different types of crystal structures. On the other hand, understanding nanoscale superlattice melting and comparing such behaviors with the prevailing surface melting theories developed for atomic/molecular solids can provide a potent way to engineer phase transitions of supra- and hierarchical structures constructed from nanoscale entities (e.g., DNA-coated nanoparticles, proteins), for their applications in reprogrammable and switchable materials with multifunctional properties [6, 7]. The experimental challenges to observe melting of superlattices are twofold. Practically it is difficult to load the initial superlattice form, in an intact manner, into the highly confined liquid-phase TEM chamber for in-situ observation. Here, the triggering of melting also needs meticulous manipulation of nanoparticle concentration, interparticle interaction, and solution environment.

Kim, Ahyoung↗

Studies on linear, nonlinear optical and excited state dynamics of silicon nanoparticles prepared by picosecond laser ablation

We report results from our studies on the fabrication and characterization of silicon (Si) nanoparticles (NPs) and nanostructures (NSs) achieved through the ablation of Si target in four different liquids using ∼2 picosecond (ps) pulses. The consequence of using different liquid media on the ablation of Si target was investigated by studying the surface morphology along with material composition of Si based NPs. The recorded mean sizes of these NPs were ∼9.5 nm, ∼37 nm, ∼45 nm and ∼42 nm obtained in acetone, water, dichloromethane (DCM) and chloroform, respectively. The generated NPs were characterized by selected area electron diffraction (SAED), high resolution transmission microscopy (HRTEM), Raman spectroscopic techniques and Photoluminescence (PL) studies. SAED, HRTEM and Raman spectroscopy data confirmed that the material composition was Si NPs in acetone, Si/SiO{sub 2} NPs in water, Si-C NPs in DCM and Si-C NPs in chloroform and all of them were confirmed to be polycrystalline in nature. Surface morphological information of the fabricated Si substrates was obtained using the field emission scanning electron microscopic (FESEM) technique. FESEM data revealed the formation of laser induced periodic surface structures (LIPSS) for the case of ablation in acetone and water while random NSs were observed for the case of ablation in DCM and chloroform. Femtosecond (fs) nonlinear optical properties and excited state dynamics of these colloidal Si NPs were investigated using the Z-scan and pump-probe techniques with ∼150 fs (100 MHz) and ∼70 fs (1 kHz) laser pulses, respectively. The fs pump-probe data obtained at 600 nm consisted of single and double exponential decays which were tentatively assigned to electron-electron collisional relaxation (<1 ps) and non-radiative transitions (>1 ps). Large third order optical nonlinearities (∼10{sup −14} e.s.u.) for these colloids have been estimated from Z-scan data at an excitation wavelength of 680 nm suggesting that the colloidal Si NPs find potential applications in photonic devices.

36 MATERIALS SCIENCE↗

Crystallographic analysis of nano-tendril bundle vs fuzz growth on tungsten exposed to helicon wave-coupled helium plasma

The propensity for nano-tendril bundle (NTB) vs widespread nano-tendril growth (i.e., fuzz) on polycrystalline W under varying ion energy modulation conditions, from DC to peak-to-peak energy modulation of 42 eV at 13.56 MHz, is correlated with the crystal orientation of the underlying grains. Grains that are vicinal to crystal orientations with high surface diffusivity (e.g., {101} for a body centered cubic crystal structure) exhibit NTB growth at lower ion energy modulation amplitude than grains that are vicinal to low surface diffusivity orientations, such as {100}. Adatom mobility considerations are presented to describe the experimental observations. These results support that surface diffusion or W adatom mobility enhanced by ion bombardment plays a key role in the surface morphology evolution of W under He irradiation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Investigating the Influence of Ni, ZrO 2 , and Y 2 O 3 from SOFC Anodes on Siloxane Deposition

Siloxanes, as a type of impurity in biogas, can poison the Ni-YSZ anode of SOFCs. However, the influence of individual components of the anode, such as Ni, ZrO 2 , and Y 2 O 3 , on the siloxane deposition process has not been investigated extensively. In this study, Ni, ZrO 2 , and Y 2 O 3 pellets were exposed to H 2 + N 2 + H 2 O + D4 (octamethylcyclotetrasiloxane, 2.5 ppmv) and H 2 + N 2 + D4 (2.5 ppmv siloxane) gas mixtures at 750 °C to investigate their affinity and tolerance for siloxane degradation. Surface morphology analysis and electrochemical analysis including electrochemical impedance spectroscopy (EIS), related distribution of relaxation times (DRT) analysis and equivalent circuit modeling with complex nonlinear least square (CNLS) fitting were conducted. Here, a microstructure parameter—tortuosity factor to porosity ratio $\tau /\varepsilon $ calculated by diffusion polarization resistance was utilized for siloxane deposition evaluation. After comparing pellets surface morphology changes before and after experiments and $\tau /\varepsilon $ change following the contamination, Ni is considered as a major factor in siloxane deposition reactions in Ni-YSZ anode.

25 ENERGY STORAGE↗

Effect of Eu/Ca ratio on the crystalline phase, morphology and luminescent properties of Ca2-1.5xEux(MoO4)2 (0 ≤ x ≤ 4/3) ceramics phosphors

Highlights: • Novel Ca{sub 2-1.5x}Eu{sub x}(MoO{sub 4}){sub 2} red phosphors have been proposed and fabricated. • The correlations between the microstructure and PL have been investigated. • This work may provide a guidance to design for molybdate phosphors. - Abstract: A series of Ca{sub 2-1.5x}Eu{sub x}(MoO{sub 4}){sub 2} (0 ≤ x ≤ 4/3) phosphors have been fabricated by a traditional solid-state reaction. The correlations between the crystal structure, luminescent properties and surface morphologies with the chemical composition of the as-fabricated Ca{sub 2-1.5x}Eu{sub x}(MoO{sub 4}){sub 2} crystals have been investigated in detail. The results show that the Ca{sub 2-1.5x}Eu{sub x}(MoO{sub 4}){sub 2} (0 ≤ x ≤ 1.3) phosphors possess tetragonal phase, whereas the obtained Ca{sub 2-1.5x}Eu{sub x}(MoO{sub 4}){sub 2} (x = 4/3) (i.e. Eu{sub 2}(MoO{sub 4}){sub 3}) phosphor exhibits monoclinic phase. The morphologies of crystals change gradually from quasi sphericity to tetragonal bipyramid owing to the preferential growth along c-axis induced by Eu{sup 3+} ions. The photoluminescence spectra reveal that the intensities of the characteristic emission and excitation peaks initially increase and then decrease with increasing x, given the maximum at x = 1/3. Our results indicate that the difference in the charge, electronegativity, as well as ionic radius between Ca{sup 2+} ions and Eu{sup 3+} ions lead to the variation of crystal symmetry, crystal phase, surface morphologies and luminescence of the final Ca{sub 2-1.5x}Eu{sub x}(MoO{sub 4}){sub 2} crystals.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Transmission Electron Microscopy of Non-Etched Presolar Silicon Carbide

Our solar system formed from nuclei produced in earlier generations of stars. Mixing in the proto-solar nebula isotopically homogenized most of this material, but some grains, called presolar grains, retain their original isotopic composition. The isotopic properties of presolar SiC grains indicate that most of the grains formed in the outflows of carbon-rich Asymptotic Giant Branch (AGB) stars. The microstructure of these presolar grains reflects the conditions of the dust formation and subsequent alteration. Early microstructural studies of SiC grains obtained by acid dissolution from meteorites show that most isotopically anomalous SiC grains have the face-centered cubic b- SiC structure. However, Daulton et al. have shown that a small fraction of sub-micron presolar SiC grains are of the hexagonal 2H polytype (a-SiC). Although the harsh chemical treatments of these grains does not alter their crystal structure, significant alteration of the surface morphology of the grains due to the acid treatments has been observed. In addition, the acid treatments may preferentially remove cracked or fissured grains, and possible sub-grains, such as graphite. By studying SiC grains isolated by physical separation and found in situ, we attempt to obtain a more complete analysis of presolar SiC microstructures, including the surface morphology, in order to address the formation and processing history of the grains. In our prior work, we reported on one in situ SiC grain (hereafter CBIS1). Here we present results from two additional grains, one in situ, and one prepared as a physical separate.

Stroud, Rhonda M.↗

Atomic Origins of the Self-Healing Function in Cement–Polymer Composites

Motivated by recent advances in self-healing cement and epoxy polymer composites, we present a combined ab initio molecular dynamics and sum frequency generation (SFG) spectroscopy study of a calcium-silicate-hydrate/polymer interface. On stable, low-defect surfaces, the polymer only weakly adheres through coordination and hydrogen bonding interactions and can be easily mobilized towards defected surfaces. Conversely, on fractured surfaces, the polymer strongly anchors through ionic Ca-O bonds resulting from the deprotonation of polymer hydroxyl groups. In addition, polymer S-S groups are turned away from the cement/polymer interface, allowing for the self-healing function within the polymer. The overall elasticity and healing properties of these composites stem from a flexible hydrogen bonding network that can readily adapt to surface morphology. The theoretical vibrational signals associated with the proposed cement-polymer interfacial chemistry were confirmed experimentally by SFG spectroscopy.

ab initio molecular 8 dynamics↗

Ultradeep electron cyclotron resonance plasma etching of GaN

Here, ultradeep (≥5 μm) electron cyclotron resonance plasma etching of GaN micropillars was investigated. Parametric studies on the influence of the applied radio-frequency power, chlorine content in a Cl 2 /Ar etch plasma, and operating pressure on the etch depth, GaN-to-SiO 2 selectivity, and surface morphology were performed. Etch depths of >10 μm were achieved over a wide range of parameters. Etch rates and sidewall roughness were found to be most sensitive to variations in RF power and % Cl 2 in the etch plasma. Selectivities of >20:1 GaN:SiO 2 were achieved under several chemically driven etch conditions where a maximum selectivity of ~39:1 was obtained using a 100% Cl 2 plasma. The etch profile and (0001) surface morphology were significantly influenced by operating pressure and the chlorine content in the plasma. Optimized etch conditions yielded >10 μm tall micropillars with nanometer-scale sidewall roughness, high GaN:SiO 2 selectivity, and nearly vertical etch profiles. These results provide a promising route for the fabrication of ultradeep GaN microstructures for use in electronic and optoelectronic device applications. In addition, dry etch induced preferential crystallographic etching in GaN microstructures is also demonstrated, which may be of great interest for applications requiring access to non- or semipolar GaN surfaces.

36 MATERIALS SCIENCE↗

Simultaneous prediction of structural properties in epitaxially–grown GaN with quantum and conventional multi–output learning algorithms

Hundreds of GaN thin film crystal plasma–assisted molecular beam epitaxy synthesis experiment records spanning two decades were organized into a dataset correlating the growth experiment design parameters with discrete, binary determinations of crystallinity and surface morphology. Conventional data science techniques as well as both quantum and classical multi–output supervised machine learning algorithms were implemented to investigate the relationships between the operating parameter data and the structural figures of merit. Correlation coefficients, decision tree nodes, p–values, and SHAP values all support substrate temperature and gallium effusion cell conditions as being statistically significant for simultaneously influencing GaN crystallinity and surface morphology. Here, a conventional deep neural network learned best from the data, followed by a quantum–classical hybrid gradient boosting algorithm. When combined with calculations of uncertainty intervals based on VennAbers predictors, machine learning predictions of both structural properties show good agreement with results reported in published experimental literature.

36 MATERIALS SCIENCE↗

Surface Structure, Morphology, and Stability of Li(Ni 1/3 Mn 1/3 Co1/3)O 2 Cathode Material

Layered Li(Ni 1-x-y Mn x Co y )O 2 (NMC) oxides are promising cathode materials capable of addressing some of the challenges associated with next-generation energy storage devices. In particular, improved energy densities, longer cycle-life, and improved safety characteristics with respect to current technologies are needed. However, sufficient knowledge on the atomic-scale processes governing these metrics in working cells is still lacking. Herein, Density Functional Theory (DFT) is employed to predict the stability of several low-index surfaces of Li(Ni 1/3 Mn 1/3 Co 1/3 )O 2 (NMC111) as a function of Li and O chemical potentials. Predicted particle shapes are compared with those of single crystal NMCs synthesized under different conditions. The most stable surfaces for stoichiometric NMC111 are predicted to be the non-polar (104), the polar (012) and (001), and the reconstructed, polar (110) surfaces. Results indicate that intermediate spin Co 3+ ions lower the (104) surface energy. Furthermore, it was found that removing oxygen from the (012) surface was easier than from the (104) surface, suggesting a facet dependence on surface-oxygen vacancy formation. In conclusion, these results give important insights into design criteria for the rational control of synthesis parameters as well as establish a foundation on which future, mechanistic studies of NMC surface instabilities can be developed.

25 ENERGY STORAGE↗

Texturing Carbon-carbon Composite Radiator Surfaces Utilizing Atomic Oxygen

Future space nuclear power systems will require radiator technology to dissipate excess heat created by a nuclear reactor. Large radiator fins with circulating coolant are in development for this purpose and an investigation of how to make them most efficient is underway. Maximizing the surface area while minimizing the mass of such radiator fins is critical for obtaining the highest efficiency in dissipating heat. Processes to develop surface roughness are under investigation to maximize the effective surface area of a radiator fin. Surface roughness is created through several methods including oxidation and texturing. The effects of atomic oxygen impingement on carbon-carbon surfaces are currently being investigated for texturing a radiator surface. Early studies of atomic oxygen impingement in low Earth orbit indicate significant texturing due to ram atomic oxygen. The surface morphology of the affected surfaces shows many microscopic cones and valleys which have been experimentally shown to increase radiation emittance. Further study of this morphology proceeded in the Long Duration Exposure Facility (LDEF). Atomic oxygen experiments on the LDEF successfully duplicated the results obtained from materials in spaceflight by subjecting samples to 4.5 eV atomic oxygen from a fixed ram angle. These experiments replicated the conical valley morphology that was seen on samples subjected to low Earth orbit.

Raack, Taylor↗

A Rover Deployed Ground Penetrating Radar on Mars

Radar is a fundamental tool capable of addressing a variety of geological problems on Mars via collection of data suitable for interpreting variations in surface morphology and reflectivity. Surface-deployed ground penetrating radar (GPR) can help further constrain the geology and structure of the near surface of Mars by directly measuring the range and character of in situ radar properties. In recognition of this potential, a miniaturized, easily modified GPR is being developed for possible deployment on a future Mars rover and will enable definition of radar stratigraphy at high spatial resolution to depths of 10-20 meters. Ongoing development of a Mars impulse GPR with industry partners at Geophysical Survey Systems, Inc., focuses on design and testing of a prototype transducer array (with both high frequency bistatic and low frequency monostatic components) in parallel with fabrication of a low power, mass, and volume control unit. The operational depth of 10-20 meters is geared towards definition of stratigraphy, subsurface blocks, and structure at the decimeter to meter scale that is critical for establishing the geologic setting of the rover. GPR data can also be used to infer the degree of any post-depositional pedogenic alteration or weathering that has subsequently taken place, thereby enabling assessment of pristine versus secondary morphology at the landing site. As is the case for most remote sensing instruments, a GPR may not detect water unambiguously. Nevertheless, any local, near-surface occurrence of liquid water will lead to large, easily detected dielectric contrasts. Moreover, definition of stratigraphy and setting will help in evaluating the history of aqueous activity and where any water might occur and be accessible. Most importantly perhaps, GPR can provide critical context for other rover and orbital instruments/data sets. Hence, GPR deployment along well positioned transects in the vicinity of a lander should enable 3-D mapping of stratigraphy and could serve to guide direct subsurface sampling. Additional information is contained in the original extended abstract.

Grant, J. A.↗

Oxygen-induced defects at the lead halide perovskite/graphene oxide interfaces

Here, graphene oxide or its reduced derivative (GO/RGO) replace metal oxides in perovskite photovoltaics to achieve energy band alignment for minimization of the energy barriers at the film interfaces allowing efficient charge transport, and eliminate stability issues. However, the power conversion efficiencies fall in a wide range (~0.6–18%). Therefore, the perovskite growth and nucleation on GO/RGO require fundamental understanding to improve device function for controlled fabrication, which remain a major challenge. We analyze the surface morphology and crystallization of the lead halide perovskites (MAPbX 3 ) at 20–300 °C on GO using X-ray diffraction and photoelectron spectroscopy. To determine defect mechanisms and their composition, we perform in situ transmission infrared and micro Raman spectroscopy, and the cross-sectional scanning microscopy that captures interfacial imperfections with the oxygen defects. We demonstrate the oxygen-induced defects at the MAPbX 3 /GO interfaces that initiate at room temperature, and occur through the nucleophilic substitution reactions. Unexpectedly, structural defects nucleate in GO forming chemically reduced GO, and modify the surface morphology that yield a poor perovskite growth. Our theoretical studies also reveal that energetically favorable, exothermic reactions between the halides of the perovskite precursors and the oxygen groups of GO generate acidic reaction by-products ( i.e. HX), that confirm the formation of oxygen-induced defects.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enabling quantitative analysis of complex polymer blends by infrared nanospectroscopy and isotopic deuteration

Atomic-force microscopy coupled with infrared spectroscopy (AFM-IR) deciphers surface morphology of thin-film polymer blends and composites by simultaneously mapping physical topography and chemical composition. However, acquiring quantitative phase and composition information from multi-component blends can be challenging using AFM-IR due to the possible overlapping infrared absorption bands between different species. Isotope labeling one of the blend components introduces a new type of bond (carbon-deuterium vibration) that can be targeted using AFM-IR and responds at wavelengths sufficiently shifted toward unoccupied regions (around 2200 cm –1 ). In this project, AFM-IR was used to probe the surface morphology and chemical composition of three polymer blends containing deuterated polystyrene; each blend is expected to exhibit various degrees of miscibility. AFM-IR results successfully demonstrated that deuterium labeling prevents infrared spectral overlap and enables the visualization of blend phases that could not normally be distinguished by other scanning probe techniques. The nanoscale domain composition was resolved by fast infrared spectrum analysis. Overall, we presented isotope labeling as a robust approach for circumventing obstacles preventing the quantitative analysis of multiphase systems by AFM-IR.

36 MATERIALS SCIENCE↗

CO 2 Electroreduction with Enhanced Ethylene and Ethanol Selectivity by Nanostructuring Polycrystalline Copper

Abstract There are a number of recent reports on the use of oxidation/reduction cycling of Cu surfaces to improve their selectivity for ethylene formation in the aqueous CO 2 reduction reaction. Here, the oxidation/reduction process is examined in detail. It is found that the faradaic efficiencies for both ethylene and ethanol are enhanced after oxidation/reduction cycling in the presence of halide anions. Specifically, cycling of the electrode in the presence of chloride, bromide, or fluoride anions allows for an ethylene faradaic efficiency of approximately 15.2 %, a factor of 1.5 higher than that for polycrystalline copper (at −1.0 V vs. RHE). The faradaic efficiency for ethanol is also enhanced from 2.65 to approximately 7.6 %. The effects of electrochemical oxidation/reduction with the chloride anion were investigated by using in situ Raman spectroscopy, and the changes in the surface morphology of copper were monitored by using SEM. Consistent with prior reports, it is observed that during the oxidation part of the cycle, anodic corrosion forms a Cu 2 O layer, which consists of cubical crystals of about 150 nm. During the reduction sweep, it is converted to metallic copper, which forms irregular Cu nanoparticles of around 20 nm in diameter. The enhancement in ethylene formation is presumably attributed to the formation of grain boundaries, which may serve as active sites.

Kwon, Youngkook↗

Spectral evidence for a carbonaceous chondrite surface composition on Deimos

The surface compositions of Phobos and Deimos as determined by their UV-visible reflectance are compared in order to evaluate the hypothesis that the different surface morphologies of the two satellites are due to different mechanical properties. The UV-visible reflectance spectrum of Deimos is compiled from Mariner 9 UV spectrometry and Canopus star tracker photometry and ground-based colorimetry and polarimetry; the geometric albedo of Deimos is determined from Mariner 9 Canopus star tracker data. The reflectance spectra of Deimos and Phobos are found to be similar in a first approximation, exhibiting low, flat reflectivities in the visible and dropping off sharply in the UV, compatible with a probable carbonaceous chondrite nature for Deimos as well as Phobos and suggesting that their different surface morphologies are most likely due to different orbital histories.

Pang, K. D.↗