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At least 1,711 records · Page 95

Alignment nature of ZnO nanowires grown on polished and nanoscale etched lithium niobate surface through self-seeding thermal evaporation method

Highlights: • ZnO nanowires were grown directly on LiNbO{sub 3} surface for the first time by thermal evaporation. • Self-alignment of the nanowires due to step bunching of LiNbO{sub 3} surface is observed. • Increased roughness in surface defects promoted well-aligned growth of nanowires. • Well-aligned growth was then replicated in 50 nm deep trenches on the surface. • Study opens novel pathway for patterned growth of ZnO nanowires on LiNbO{sub 3} surface. - Abstract: High aspect ratio catalyst-free ZnO nanowires were directly synthesized on lithium niobate substrate for the first time through thermal evaporation method without the use of a buffer layer or the conventional pre-deposited ZnO seed layer. As-grown ZnO nanowires exhibited a crisscross aligned growth pattern due to step bunching of the polished lithium niobate surface during the nanowire growth process. On the contrary, scratches on the surface and edges of the substrate produced well-aligned ZnO nanowires in these defect regions due to high surface roughness. Thus, the crisscross aligned nature of high aspect ratio nanowire growth on the lithium niobate surface can be changed to well-aligned growth through controlled etching of the surface, which is further verified through reactive-ion etching of lithium niobate. The investigations and discussion in the present work will provide novel pathway for self-seeded patterned growth of well-aligned ZnO nanowires on lithium niobate based micro devices.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

Prediction of perovskite and other ternary oxide multilayers as mirrors for soft X-rays

Highlights: • Theoretical framework to identify optimal multilayers for high x-ray reflectivity. • Perovskite oxide multilayers are proposed as soft x-ray mirrors. • High soft x-ray reflectivity up to 33% are expected in perovskite multilayers. - Abstract: We propose multilayers of perovskite and related ternary oxides with a general formula of ABO{sub 3} as high reflectivity mirrors, especially for use in water window region (2.3–4.4 nm). The high reflectivity combinations of oxide multilayers were deduced using evolutionary search algorithms such as genetic algorithms, and the calculation speed was accelerated via parallel computing methods We also propose a figure of merit for X-ray reflectivity in periodic multilayers systems, which can simplify the future efforts on identifying material combinations, and the search through this multi-dimensional parameter space. The highest reflectivity value was found to be over 33% at 3.1 nm in the water window region. The effect of interface roughness was simulated and the decrease in reflectivity was found to be modest for practically achievable roughness values. This work establishes the foundation for future experimental and theoretical studies towards achieving high reflectivity x-ray mirrors of complex oxide multilayers.

36 MATERIALS SCIENCE↗

Extended investigation of sol aging effect on TiO2 electron transporting layer and performances of perovskite solar cells

Highlights: • Conditions of deposition of compact sol-gel TiO{sub 2} significantly influence the parameters of perovskite cells. • Sol aging originally considered as beneficial was proved to be adverse due to no repeatability, defects and residual water. • Free from such disadvantages TiO{sub 2} made from fresh sol can support as good cell parameters. • Roughness of transparent conductive oxide influences the optimal thickness of electron transporting layer. - Abstract: Organic−inorganic hybrid perovskites have created significant opportunities for low-cost and high-performance solar cells. The electron transporting layer (ETL) is one of the main components of the solar cell, which selectively transports electrons and at the same time acts as a barrier for holes. This paper focuses on the ETL composed of titanium dioxide deposited by sol-gel method. In particular, perovskite solar cells with ETL from aged titanium sol revealed significant differences of short circuit current which is 8% higher than their counterpart with ETL from fresh sol. Analysis of ETL morphology by atomic force microscopy combined with electrochemical impedance spectroscopy and optical properties measurements enabled to determine the source of this diversity. Additionally, the role of roughness of transparent electrode was indicated. The in-depth material analysis revealed some disadvantages of the ETL material, originally considered as supporting higher photovoltaic performance. The results indicated several problems associated with hardly controlled aging conditions, defects and presence of residual water, strongly advocate for TiO{sub 2} ETL form the fresh sol, which after optimization can guarantee the same good solar cell performance.

14 SOLAR ENERGY↗

Natural garnet reinforced high density polyethylene composites for sustainable microwave substrates

Highlights: • A cost effective and ecofriendly alternative for commercial microwave substrates based on HDPE and Garnet mineral is proposed. • AFM images indicated the surface roughness of the substrate is very low and has the required degree of surface finish to minimize conduction loss. • Composite with 0.5 vol fraction of Garnet has ε{sub r} = 5.7, tan δ = 0.00185 (at 5 GHz), CTE = 114 ppm/{sup o}C and thermal conductivity = 1.3 Wm{sup −1}K{sup −1}. • The moisture absorption and thermal stability of dielectric properties are in the acceptable range for microwave substrate applications. - Abstract: A cost effective and ecofriendly alternative for commercially available microwave substrates is proposed in the present study. A polymer composite based on high-density polyethylene (HDPE) filled with garnet mineral was fabricated using sigma-blend technique with 0.1–0.5-volume fraction of filler. The atomic force microscopic images indicated the surface roughness of the substrate is very low and has the required degree of surface finish to avoid conduction loss. For 0.5 vol fraction of garnet, the composite showed a dielectric constant (ε{sub r}) = 5.7 and dielectric loss (tan δ) = 0.00185 at 5 GHz. Moreover, coefficient of thermal expansion (CTE), thermal conductivity (k{sub c}) and tensile strength are 114 ppm/{sup o}C, 1.3 Wm{sup −1}K{sup −1} and 14.3 MPa respectively for filler volume fraction, V{sub f} = 0.5. The dielectric, thermal, moisture absorption and mechanical properties indicate that the garnet/HDPE composites are ideal candidate for cost effective and sustainable microwave substrates.

36 MATERIALS SCIENCE↗

Corrosion protection of mild steel by superhydrophobic magnetite coating

Corrosion-resistant hydrophobic magnetite coatings on mild steel surfaces were developed by immersion method. The effect of steel surface roughness (R a ) on its hydrophobicity was systematically studied using contact angle measurement (CAM), scanning electron microscopy (SEM), and atomic force microscopy (AFM). The corrosion resistance of hydrophobic magnetite coatings was evaluated using a potentiodynamic polarization test. The durability of the coatings was assessed in air, tap water, and 3.5 wt% NaCl environments. Hydrophobic magnetite coating with a water contact angle of 146-152° showed excellent resistance to corrosion, longevity in atmospheric air, and significant self-cleaning properties. The primary focus of this study was to develop a quick and simple immersion technique to create hydrophobic surfaces on mild steel. Finally, results suggest that surface roughness plays a significant role in surface hydrophobicity, and enhancing the hydrophobicity of mild steel improves its corrosion resistance.

36 MATERIALS SCIENCE↗

3D Printed Parahydrophobic Surfaces as Multireaction Platforms

We report Parahydrophobic surfaces (PHSs) composed of arrays of cubic μ-pillars with a double scale of roughness and variable wettability were systematically obtained in one step and a widely accessible stereolithographic Formlabs 3D printer. The wettability control was achieved by combining the geometrical parameters (H = height and P = pitch) and the surface modification with fluoroalkyl silane compounds. Homogeneous distribution of F and Si atoms onto the pillars was observed by XPS and SEM-EDAX. A nano-roughness on the heads of the pillars was achieved without any post-treatment. The smallest P values lead to surfaces with static contact angles (CAs) >150° regardless of the H utilized. Interestingly, the relationship 0.6 ≤ H/P ≤ 2.6 obtained here was in good agreement with the H/P values reported for nano- and submicron pillars. Furthermore, experimental CAs, advancing and receding CAs, were consistent with the theoretical prediction from the Cassie–Baxter model. Structures covered with perfluorodecyltriethoxysilane with high H and short P lead to PHSs. Conversely, structures covered with perfluorodecyltrimethoxysilane exhibited a superhydrophobic behavior. Finally, several aqueous reactions, such as precipitation, coordination complex, and nanoparticle synthesis, were carried out by placing the reactive agents as microdroplets on the parahydrophobic pillars, demonstrating the potential application as chemical multi-reaction array platforms for a large variety of relevant fields in microdroplet manipulation, microfluidics systems, and health monitoring, among others.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Homoepitaxy of Crystalline Rubrene Thin Films

The smooth surface of crystalline rubrene films formed through an abrupt heating process provides a valuable platform to study organic homoepitaxy. By varying growth rate and substrate temperature, we are able to manipulate the onset of a transition from layer-by-layer to island growth modes, while the crystalline thin films maintain a remarkably smooth surface (less than 2.3 nm root-mean-square roughness) even with thick (80 nm) adlayers. We also uncover evidence of point and line defect formation in these films, indicating that homoepitaxy under our conditions is not at equilibrium or strain-free. Point defects that are resolved as screw dislocations can be eliminated under closer-to-equilibrium conditions, whereas we are not able to eliminate the formation of line defects within our experimental constraints at adlayer thicknesses above ~25 nm. We are, however, able to eliminate these line defects by growing on a bulk single crystal of rubrene, indicating that the line defects are a result of strain built into the thin film template. We utilize electron backscatter diffraction, which is a first for organics, to investigate the origin of these line defects and find that they preferentially occur parallel to the (002) plane, which is in agreement with expectations based on calculated surface energies of various rubrene crystal facets. By combining the benefits of crystallinity, low surface roughness, and thickness-tunability, this system provides an important study of attributes valuable to high-performance organic electronic devices.

36 MATERIALS SCIENCE↗

Surface Chemistry and Particle Morphology Changes in Pine Biomass under Indirect Thermal Gradients: Implications for Feed Screw Design

The conversion of biomass feedstocks into fuels and chemicals using fast pyrolysis is a promising approach to renewable energy. Feed screws that convey biomass to pyrolysis reactors, however, often encounter plugging. Indirect heating of the feed screw occurs due to contact with the pyrolysis chamber, resulting in a heating gradient ranging from ambient temperature (22 °C) to reactor temperature (500 °C). Given that major cell wall macromolecules, such as lignin, cellulose, and hemicellulose, begin to produce bio-oils and volatile resin acid compounds within this temperature gradient, we hypothesized that indirect heating during feed screw conveyance is sufficient to cause premature degradation of biomass. We characterized this degradation by observing increases in surface roughness, changes in overall particle morphology, and the production and deposition of bio-oils on biomass particle surfaces. Correlative analysis between optical in situ hot-stage microscopy, confocal Raman spectroscopy, and SEM analysis revealed that heating at temperatures as low as 375 °C caused significant increases in surface roughness, with large fissures forming between and within cell walls. Additionally, droplets of bio-oil were observed on particles, especially in the bark and cambium samples. This work suggests that these phenomena contribute to particle agglomeration, leading to feed screw plugging, and that engineering a solution to cool the feed screw could prevent particle agglomeration and reduce plugging incidents, thereby increasing biomass processing efficiency.

09 BIOMASS FUELS↗

Distribution of Bound and Free Water in Anatomical Fractions of Pine Residues and Corn Stover as a Function of Biological Degradation

Biomass quality is influenced by water’s abundance, distribution, and status in relation to other chemical species within the polymer matrix. Water interacts with polymers that make up the cell walls, and these interactions govern the physical and chemical changes that occur during the storage and preprocessing of biomass feedstocks. Time-domain nuclear magnetic resonance (TD-NMR) was employed to explore variations in the physical constraints of water within the lignocellulosic microstructure in distinct anatomical fractions of biomass and as a function of biological degradation. The Carr–Purcell–Meiboom–Gill sequence, when combined with knowledge of the chemical composition and physical structure of pine residues and corn stover anatomical fractions, gives an accurate measurement of the bound and free water. In this work, the impacts of storage and biological degradation were investigated to elucidate changes in the status and distribution of water within distinct plant tissues. We also investigate how degradation during storage affects water interactions in different pine residues (e.g., bark, branch, and needle) and corn stover (e.g., cob, leaf, and stalk) anatomical fractions using transverse relaxation times (T2). As demonstrated herein, TD-NMR provides quantitative data on lignocellulosic biomass–water interactions within anatomical fractions, which can further aid in the investigation of preprocessing effects on feedstock quality. Our findings suggest that biological heating enhances biomass–water interactions at the cellular and macromolecular scale. In addition, analysis of three-dimensional scanning electron microscopy reconstructions indicates that surface roughness wavelengths align with microscale roughness, suggesting that pine forestry residue and corn stover particles have primarily hydrophobic exterior surfaces. Furthermore, this study offers multiscale insights into understanding the microstructure, wettability, and chemical environment that dictate diffusion, enzyme access, and recalcitrance of lignocellulosic biomass.

09 BIOMASS FUELS↗

Power law and exponential ejecta size distributions from the dynamic fragmentation of shock-loaded Cu and Sn metals under melt conditions

Large scale molecular dynamics (MD) simulations are performed to study and to model the ejecta production from the dynamic fragmentation of shock-loaded metals under melt conditions. A generic 3D crystal in contact with vacuum containing about 10{sup 8} atoms and with a sinusoidal free surface roughness is shock loaded so as to undergo a solid-liquid phase change on shock. The reflection of the shock wave at the interface metal/vacuum gives rise to the ejection of 2D jets/sheets of atoms (Richtmyer-Meshkov instabilities in the continuum limit), which develop and break up, forming ejecta (fragments) of different volumes (or mass). The fragmentation process is investigated by analyzing the evolution of the resulting volume distribution of the ejecta as a function of time. Two metals are studied (Cu and Sn) and the amplitude of the roughness is varied. The simulations show that the associated distributions exhibit a generic behavior with the sum of two distinct terms of varying weight, following the expansion rate of the jets: in the small size limit, the distribution obeys a power law dependence with an exponent equal to 1.15 ± 0.08; and in the large size limit, it obeys an exponential form. These two components are interpreted, with the help of additional simple simulations, as the signature of two different basic mechanisms of fragmentation. The power law dependence results from the fragmentation of a 2D network of ligaments arranged following a fractal (scale free) geometry and generated when the sheets of liquid metal expand and tear. The exponential distribution results from a 1D Poisson fragmentation process of the largest ligaments previously generated. Unlike the power law distribution, it is governed by a characteristic length scale, which may be provided by energy balance principle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Ferromagnetic resonance of sputtered yttrium iron garnet nanometer films

Growth of nm-thick yttrium iron garnet (YIG) films by sputtering and ferromagnetic resonance (FMR) properties in the films were studied. The FMR linewidth of the YIG film decreased as the film thickness was increased from several nanometers to about 100 nm. For films with very smooth surfaces, the linewidth increased linearly with frequency. In contrast, for films with big grains on the surface, the linewidth-frequency response was strongly nonlinear. Films in the 7–26 nm thickness range showed a surface roughness between 0.1 nm and 0.4 nm, a 9.48-GHz FMR linewidth in the 6–10 Oe range, and a damping constant of about 0.001.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of the interface on the magnetic properties of ferromagnetic ultrathin films with various adjacent copper thicknesses

The interface and magnetic properties of two series of films with Ta(5 nm)/Fe{sub 20}Ni{sub 80}Nd{sub 0.017}(3 nm)/Cu(t nm) and Ta(5 nm)/Cu(t nm)/Fe{sub 50}Co{sub 50}Gd{sub 0.07}(3 nm)/Cu(2 nm) structures have been investigated by atomic force microscopy, vibrating sample magnetometer, and ferromagnetic resonance (FMR). The roughness of all films increases with increasing copper thickness, which causes the different grain sizes in the surface of films. The coercivity of FeCo-Gd films increases with increasing thickness of inserted Cu layer while decreases with increasing thickness of Cu capping layer for FeNi-Nd films. FMR linewidth exhibits huge dependence on the thickness of inserted Cu layer for FeCo-Gd films, increasing from 2270 to 3680 Oe, which comes from the additional contribution of effect of the two-magnon scattering. And the thickness of Cu capping layer shows also an influence on FMR linewidth of FeNi-Nd films, increasing from 190 to 320 Oe, which mainly comes from intrinsic FMR linewidth and plus minor inhomogeneous broadening. All of these extrinsic linewidth broadening are related to the interface roughness.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Growth mechanism and composition of ultrasmooth a-C:H:Si films grown from energetic ions for superlubricity

Growth mechanism and ion energy dependence of composition of ultrasmooth a-C:H:Si films grown from ionization of tetramethylsilane (TMS) and toluene mixture at a fixed gas ratio have been investigated by varying the applied bias voltage. The dynamic scaling theory is employed to evaluate the roughness evolution of a-C:H:Si films, and to extract roughness and growth exponents of α ∼ 0.51 and β ∼ 0, respectively. The atomically smooth surface of a-C:H:Si films with Ra ∼ 0.1 nm is thermally activated by the energetic ion-impact induced subsurface “polishing” process for ion dominated deposition. The ion energy (bias voltage) plays a paramount role in determining the hydrogen incorporation, bonding structure and final stoichiometry of a-C:H:Si films. The hydrogen content in the films measured by ERDA gradually decreases from 36.7 to 17.3 at. % with increasing the bias voltage from 0.25 to 3.5 kV, while the carbon content in the films increases correspondingly from 52.5 to 70.1 at. %. The Si content is kept almost constant at ∼9–10 at. %. Depending on the ion-surface interactions, the bonding structure of a-C:H:Si films grown in different ion energy regions evolves from chain-developed polymer-like to cross-linked diamond-like to sp{sup 2}-bonded a–C as revealed by XPS, Raman, and FTIR analysis. Such a structural evolution is reflected in their measured nanomechanical properties such as hardness, modulus, and compressive stress. An enhanced viscoplastic behavior (i.e., viscoplastic exponent of ∼0.06) is observed for polymeric a-C:H:Si films. A hydrogen content threshold (H > 20 at. %) exists for the as-grown a-C:H:Si films to exhibit superlow friction in dry N{sub 2} atmosphere. An extremely low friction coefficient of ∼0.001 can be obtained for polymer-like a-C:H:Si film. These near-frictionless a-C:H:Si films are strongly promising for applications in industrial lubricating systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electric current induced flow of liquid metals: Mechanism and substrate-surface effects

Long range, continuous flow of liquid metals occurs upon application of an electric current. Here, we report experimental results elucidating the mechanism of current-induced liquid metal flow, and its dependence on substrate surface condition. It is shown that the observed flow is diffusion-controlled, with the flow-rate depending linearly on applied current density, indicating that it is driven by electromigration. The effective charge number for liquid electromigration, Z*, of several pure metals, such as Al, Bi, Ga, Sn, and Pb, were deduced from the experimental results and were found to be close to the elemental valency. With the exception of liquid Pb, Z* for all liquid metals tested in this study were positive, indicating that: (i) electron wind contributes much less to Z* in liquid metals than in solids, and (ii) with a few exceptions, liquid metals generally flow in the direction of the electric current. On smooth substrates which are wetted well by the liquid metal, flow occurs in a thin, continuous stream. On rough surfaces which are poorly wetted, on the other hand, discrete beads of liquid form, with mass transport between adjacent beads occurring by surface diffusion on the substrate. A rationale for the role of substrate roughness in fostering this observed transition in flow mechanism is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Magnetization dynamics and interface studies in ion-beam sputtered Si/CoFeB(8)/MgO(4)/CoFeB(8)/Ta(5) structures

The interface roughness, Boron distribution in bulk CoFeB and at interface, Gilbert damping constant (α), and inhomogeneous broadening in ion-beam sputtered Si/CoFeB(8)/MgO(4)/CoFeB(8)/Ta(5) structures are found to be sensitive to the MgO growth process. The ion-assist and reactive growth processes that result in sharper interfaces of width ∼0.5 nm lead to smaller α of 0.0050 ± 0.0003 and 0.0060 ± 0.0002 and inhomogeneous broadening ΔH{sub 0} of 3 ± 0.3 and 1 ± 0.3 Oe, respectively. On the other hand, the post-oxidation method results in rough interface and higher retention of Boron in CoFeB leading to higher values for α and ΔH{sub 0} as 0.0080 ± 0.0006 and 5 ± 0.3 Oe, respectively.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Effect of growth conditions on microstructure of BiFeO{sub 3}-0.33BaTiO{sub 3} films and performance of bulk acoustic wave resonators

The effect of growth conditions on the microstructure of BiFeO{sub 3}-0.33BaTiO{sub 3} (BF-BT) films and the performance of bulk acoustic wave (BAW) resonators is analyzed using test structures with the BF-BT films grown at different positions relative to the plume axis in the pulsed laser deposition system. The BF-BT film grain size and surface roughness reveal a strong asymmetric surface distribution and decrease significantly in the film region facing the laser beam-plume interaction area. The (100) BF-BT texturing is enhanced in this film region. The variations in the BF-BT film microstructure result in corresponding variations of the BAW resonator performance. Their correlations are established using the model of the roughness induced attenuation of the reflected acoustic waves and theory of the dc field induced piezoelectric effect. The BAW resonators with the highest parameters are obtained in the BF-BT film region facing the laser beam-plume interaction area. The BAW resonators located in this film region reveal a mechanical Q-factor of 200 at 4.2 GHz, an effective electromechanical coupling coefficient of 10% and a tunability of the series resonance frequency of 4.5%.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Electron transport and defect structure in highly conducting reactively sputtered ultrathin tin oxide films

Electrical conduction behavior of ultrathin (5–110 nm) SnO{sub 2} films reactively sputtered at 150–400 °C substrate temperatures is presented. The surface roughness studies revealed that the films with lower thickness were smoother (≤0.6 nm). Stoichiometry/defect structure of the films obtained from X-ray photoelectron spectroscopy data and electron mobility are found to be dependent on film thickness and substrate temperature. The observed increase in conductivity of semi-metallic films with decrease in film thickness is attributed to changes in defect structure and surface roughness. Highest value of conductivity of about 715 Ω{sup −1} cm{sup −1} is obtained for 5 nm thick films deposited at 300 °C.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Modeling laser-induced periodic surface structures: Finite-difference time-domain feedback simulations

A model predicting the formation of laser-induced periodic surface structures (LIPSSs) is presented. That is, the finite-difference time domain method is used to study the interaction of electromagnetic fields with rough surfaces. In this approach, the rough surface is modified by “ablation after each laser pulse,” according to the absorbed energy profile, in order to account for inter-pulse feedback mechanisms. LIPSSs with a periodicity significantly smaller than the laser wavelength are found to “grow” either parallel or orthogonal to the laser polarization. The change in orientation and periodicity follow from the model. LIPSSs with a periodicity larger than the wavelength of the laser radiation and complex superimposed LIPSS patterns are also predicted by the model.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗