In this work, the thermoelectric properties of Se-doped Bi2Te3 are examined using first-principles density functional theory and semi-classical Boltzmann transport theory. Placing a single Se atom on the 3a Wyckoff position lowers the unit cell energy by approximately 3.6 eV, compared to the 6c Te position. The electronic structure of Bi2Te3 has minor changes upon Se doping. At carrier concentration of 1019 cm-3, the optimal thermopower, S, is obtained as 207 and 220 μV/K for n-type and p-type doping, respectively. Unlike the thermopower, the power factor, S 2 σ/τ, is highly anisotropic for the in-plane and cross-plane conduction. At carrier concentrations of 1019 cm-3, the best power factor is predicted to be around 1.05 and 1.4×1011 W/m·s·K2 for n-type and p-type doping, respectively.

In this paper, a novel set of macros with line/space width from 128nm/128nm, 64nm/64nm to 32nm/32nm was designed and installed on 20nm technology-node hardware. The pitch-dependent pad erosion post Cu CMP was studied by atomic-force microscopy (AFM), scanning electron microscopy (SEM) and transmission electron microscopy (TEM) quantitatively on these macros. Two methods were investigated to reduce the difference between pitch- and density-induced CMP non-uniformity. The first is using new scheme of partial Cu plating process followed by SiCNH insulator deposition and then CMP. The second is through the selection of slurries and pads. Both results are discussed in this paper.

The properties of superconductors at the extreme limits of dimensionality are of fundamental interest. The interface of LaAlO3 and SrTiO3 hosts a quasi-two-dimensional superconductor below Tc≈200 mK. Here we report superconductivity in nanowire-shaped structures created at the LaAlO3/SrTiO3 interface using conductive atomic force microscope lithography. Nanowire cross-sections are small compared to the superconducting coherence length in LaAlO3/SrTiO3 (w <<ξSC∼100 nm), placing them in the quasi-1D regime. The ability to “write” fully superconducting nanostructures on an insulating LaAlO3/SrTiO3 “canvas” opens possibilities for the development of new families of superconducting nanoelectronics. Four-terminal transport measurements suggest that in some devices both the normal and superconducting states are confined to a single quantum channel.

Anodically formed TiO2 nanotube arrays composed of the anatase phase with periodically modulated diameters (PMTiNTs) are excellent photocatalysts for the sunlight-driven transformation of carbon dioxide into hydrocarbons. Exploiting the full potential of this nanoarchitecture for CO2 photoreduction requires integration with metal nanoparticles that function as catalytic promoters for multistep electron transfer reactions. We studied the effect of different metallic and bimetallic nanoparticles on the rate of generation of light hydrocarbons by the photoreduction of CO2. All the metal nanoparticles were loaded on to the TiO2nanotubes using the technique of photodeposition, which standardized the coating process and enabled examination purely of the effect of different metals. Photodeposition was used not only due to its simplicity but also because it enabled us to engineer very fine coatings possessing excellent uniformity and depth penetration into the nanotubes. The best performing co-catalysts were found to be CuPt (atomic ratio of 0.33:0.67), Pt and NiPt (1:2), which when loaded onto the PMTiNTs yielded total hydrocarbon generation rates of 3.5, 0.85 and 0.8 mL g-1 hr-1 respectively. The time required to form PMTiNTs was reduced by a factor of 160 by using a recently reported recipe based on fluoride ion bearing electrolyte containing lactic acid. PMTiNTs formed using the ultrafast growth lactic acid-based electrolytes exhibited similar photocatalytic properties to samples obtained more slowly using conventional ethylene glycol-based electrolytes.

Recently, there has been much interest in the creation of 3D networks of nanowires. One possible way to do this is to encase the nanowires inside transparent polymer matrices since there is also a demand for obtaining conducting transparent composites. If the filler of the composite is made from a strongly conducting material, the degree of connectivity of the networked nanowires can be tested by measuring its conductivity. Though much work has been done with ITO (Tin-doped indium oxide), little has been done with the chemically similar, but cheaper, ATO (Antimony-doped tin oxide). In this study, ATO nanoparticles were added into a polystyrene matrix and simultaneously pressed and heated so that a 3D network of the nanoparticles would form. The effecti veness of the conducting pseudo-nanowire networks was measured as the concentration of ATO in polystyrene was varied. Another variable utilized was the temperature at which the samples were pressed. The optical transmittance of the composites was also measured in order to quantify their transparency. It was found that, once the nanowire networks had percolated at a concentration of about 1.25 PHR, the conductivity and, consequently, the coherence of the networks increased at a decreasing rate as the concentration was increased. The effect of the pressing temperature was complex and required many additional sets of specimens to understand. Samples pressed at the highest temperature had the least coherent networks, as the polystyrene became too fluid and disrupted the ATO networks while at lower temperatures the opposite occurred. The optical transmittance dropped sharply as the concentration of ATO reached and surpassed 1.0 PHR. Nanowire networks were, indeed, formed through this process using these materials, but use as a conducting transparent composite in the visible range is unlikely as the percolation threshold occurs at a concentration greater than that of the optical transmittance drop, creating a trade-off between conductivity and transparency. The resistivity did drop as much as six orders of magnitude and may be useful for other applications.

Ordered arrays of crystalline complex oxides nanostructures were synthesized onto single crystal insulating substrates using aqueous polyvinyl alcohol based electron beam resist precursors. The irradiated zones are insoluble in water (negative-tone resist) due to the electron induced cross linking of polyvinyl alcohol. The subsequent high temperature treatment of the developed precursor samples leads to the formation of ordered arrays of nanodots for low irradiation doses. For high irradiation dosages, epitaxially and oriented nanowires are obtained. These same precursors were shown to be nanoimprintable on single crystal substrates. This allows for future dual processing of a single precursor film gaining nano-structuration from both electron beam and nanoimprint lithography methods.

Molecular dynamics (MD) simulations are carried out to understand the mechanisms of damage production and recovery near grain boundaries in β-SiC under neutron irradiation. Our investigations show that the damage generated by radiation is reduced by the presence of a ∑9{122}[110] tilt grain boundary. Directional displacements which are averaged over an isoconfigurational ensemble are used to characterize the statistical nature of atomic mobility near the grain boundary.

Photonics Integrated Circuits (PICs) are being applied by the telecommunications industry as transceivers for fibre optic networks. The core component of a typical PIC is the laser array and these devices can have relatively low operating temperatures (15°C - 25°C) with a tight operating range (±0.1K). To accommodate such a specification, a thermal control system is required that can change the cooling rate through feedback. The power density of next generation PICs is at such a level to demand novel thermal management architectures including developments such as near source liquid cooling. In order to control the thermal performance of fluidic devices, effective methods for varying the rate of coolant are an essential component. Consequently, micro-valve structures are required, ideally involving passive actuation to meet stringent reliability standards. One solution to this challenge is to exploit the phase-change driven shape memory effect of the NiTi Shape Memory Alloy (SMA). A micro-valve could be developed from the NiTi SMA, thermally coupled to the laser array component in order to work passively to regulate the flow of coolant in a micro-channel. Such a valve would have to be intrinsically reliable, and the goal of this paper is to investigate the conditions that will affect this reliability. The objective of the work is to investigate the mechanical properties relevant to the design of a passive NiTi SMA micro-valve, with a focus on the formation of stress-induced Martensite bands. It is not understood why these bands form on a plane inclined at ∼55° to the axis of loading and in this paper theory is presented that suggests a reasoning for this. A plate sample of NiTi was tested in uni-axial tension and Digital Image Correlation (DIC) used to analyse the strain fields across the surface of the sample. The DIC results revealed areas of high stress concentrations occurring in bands inclined on average 53.86° to the axis of loading. The theory and experimental observations are in agreement with the literature but to validate the theory the crystal texture needs to be analysed in the stress concentration regions. This paper provides valuable insight into the mechanical behaviour of a passive NiTi SMA micro-valve subjected to a sufficient pressure to form stress-induced Martensite.

Cu nanoparticles capped with fatty acids and amines were developed as low-temperature sintering materials. The fatty acids and amines used were decanoic acid + decyl amine (C10) and oleic acid + oleyl amine (C18), respectively. The synthesized Cu nanoparticles were analyzed using X-ray diffraction, transmission electron microscopy, and thermogravimetric and differential thermal analysis. Because both of the capping layers could be decomposed at temperatures lower than 300°C even under an inert atmosphere, bonding and sintering experiments could be carried out in the absence of oxygen to prevent the oxidation of the Cu nanoparticles. The sintered structures were observed using scanning electron microscopy. The shear strengths of Cu plates bonded using the C18 Cu nanoparticles were larger than those of plates bonded using the C10 Cu nanoparticles. At 300°C, the strength was higher than 30 MPa, and of the same order as ordinary high-temperature solders, even though the processing temperature was low. The resistivity of a film sintered using the C18 Cu nanoparticles was 12 μΩcm at 300°C, which was lower than the values reported in previous studies.

The mechanism for the gelation reaction of colloidal silica, Si(OH)4 +Si(OH)3 (O)- ----> Si2O8H5- + H2O, by an anionic pathway was investigated using density functional theory(DFT). Using transition state theory, the rate constants were obtained by analyzing the potential energy surface at the reactants, saddle point, and the products. In addition, reaction rate constants were investigated in the presence of ammonium chloride (NH4Cl) and sodium chloride (NaCl). These salts act as catalysts to induce gelation by destabilizing the double layer of colloidal silica to allow for Van der Waal interactions. Furthermore, it was observed that ammonium chloride plays an important role by initiating a hydride transfer allowing the reaction to proceed from the second transition state to the final product.

A series of laser pump, x-ray probe experiments show that above band gap photoexcitation can generate a large out-of-plane strain in multiferroic BiFeO3 thin films. The strain decays in a time scale that is the same as the photo-induced carriers measured in an optical transient absorption spectroscopy experiment. We attribute the strain to the piezoelectric effect due to screening of the depolarization field by laser induced carriers. A strong film thickness dependence of strain and carrier relaxation is also observed, revealing the role of the carrier transport in determining the structural and carrier dynamics in complex oxide thin films.

Despite organic solar cells have recently shown remarkable high power conversion efficiencies approaching 10%, further improvements are required to provide a low-cost alternative to inorganic photovoltaics. Optical losses related to insufficient light trapping and parasitic absorption of the contact layers limit drastically the photocurrent delivered by the cells. Textured surfaces, such as V-grooves (2D) and pyramids (3D), can provide better light coupling into the conformally deposited solar cells. In this work, we analyze the enhancement in light absorption in textured solar cells based on copper phtalocyanine (CuPc) and fullerene (C60) on the micro- and submicroscale. The analysis is carried out with the aid of the finite element method in 2D and 3D, taking into account interference as well as reflection and refraction of the incident AM1.5G spectrum. The results show that both type of structured cells perform better than planar cells reaching up to 23% improvement in maximum photocurrent for normal incidence. We also explore the lateral inhomogeneities of the generation rate within the active layers and their potential effect on the exciton collection efficiency.

Strong short electric field pulses are used to generate broadband terahertz radiation. Understanding the transport properties under such conditions is very important for the understanding of numerous terahertz photonic and electronic devices. In this paper, we report on transport simulations of the electrons within bulk wurtzite zinc oxide for pulsed high electric fields, with pulse durations of up to 400 fs. We focus on how key electron transport characteristics, namely the drift velocity and the corresponding average energy, vary with time since the onset of the pulse. For sufficiently high-field strength selections, we find that both of these parameters exhibit peaks. In addition, an electron drift velocity undershoot is observed following this peak. A contrast with the case of gallium nitride is considered; undershoot is not observed for the case of this material. Reasons for these differences in behavior are suggested.

Carbon nanofibers (CNFs) have been thoroughly investigated as potential anode materials in Li-ion battery owing to their exceptional properties such as the higher surface area to mass ratio, electrical conductivity and mechanical toughness. However, one of the major limitations of nano carbon materials is lower mass loading density. To address this issue, we have developed a novel anode system composed of CNFs directly grown on 3D Cu mesh current collector (hereafter mentioned as 3D CNFs) using a thermal catalytic chemical vapor deposition (CVD) method. Compared to CNF-based anodes on 2D Cu current collector, active The active material loading amount of the 3D CNFs has been found to be 400 % higher while comparing with 2D CNF. Owing to an increase of the active surface area, 3D CNFs demonstrated enhanced electrochemical performance of Li-ion battery in terms of charge capacity (50% improvement), rate capability and cycling life. Interfacial contact between the CNFs and Cu could play a crucial role in promoting the electrochemical properties. The intermediate TiC thin layer, formed at high temperature 750°C, could function as an efficient electric conducting pathway and a strong bonding bridge between the CNFs and Cu. In order to improve the pristine 3D CNF redox reactions, the amorphous Si (a-Si)/3D CNF has been sputter deposited to produce Si wrapped 3D CNF hybrid anode material. It has been found that the electrochemical properties of the a-Si/3D CNF yields superior specific capacity (Cdis 549 mAhg-1, LiC4.1) and cycling stability than that of pristine 3D CNF (461 mAhg-1, LiC4.8).

At the present time, no material is known that is completely inert to chemical or biochemical action and immune to weathering damage. Concrete is no exception, but, under what might be considered normal exposure conditions, it has a very long life. Concrete made by the Romans from natural cement is in excellent condition after more than 2000 years of service. The controversies generated by contradictory expert testimonies in several lawsuits involving sulfate attack on concrete, and by the large numbers of recently published papers containing data on the subject, have caused considerable anxiety about sulfate attack mechanisms and the service life of concrete structures. Furthermore, frequently the physical attack by salt crystallization is being confused with the classical sulfate attack, which involves the chemical interaction between sulfate ions from an external source and the constituents of cement paste. In addition, there is also an internal sulfate attack –a chemical attack in which the source of sulfate ions resides in the concrete aggregates or cement–. Additionally, modern concrete as been affected by the products of microorganism metabolism, in particular sulfuric acid, this damage done to hardened concrete is known as concrete biodeterioration and also known as microbiologically induced corrosion of concrete (MICC). Being perhaps this biodeterioration the most important cause of concrete decay and perhaps the true explanation of sulfate attack on concrete. Some of the controversies about sulfate attack are addressed in this article, we have studied the case applying simple considerations concerning concrete composition and flouting at the same time some of the stricter observed paradigms in the cement and concrete industry. It is concluded that a holistic approach is necessary to separate the real causes of sulfate attack on concrete from the imaginary ones.

The electroluminescent characteristics of blue organic light-emitting diodes(BOLEDs) were fabricated with single emitting layer using host-dopant system and doped charge carrier transport layers. The structure of the high efficiency BOLED device was; NPB(600Å)/NPB:BCzVBi-7%(100Å)/ADN:BCzVBi-7%(300Å)/BAlq:BCzVBi-7%(100Å)/BAlq(200Å)/Liq(20Å)/Al(1200Å) to optimize probability of exciton generation by doping BCzVBi in emitting layer and hole/electron transport layers(HTL/ETL) as well. Luminance and luminous efficiency of BOLED doped BCzVBi in EML and HTL/ETL improved from 10090 cd/m2 at 9.5V and 6.44 cd/A at 4.0V to 13190 cd/m2 at 9.5V and 7.64 cd/A at 4.0V about 30% and 18%, respectively, with CIE coordinates of (0.14, 0.17) comparing to BOLED doped BCzVBi in EML only

Carbon nanotubes patterns of micron-level resolution have been achieved using inkjet printing of DNA and SDS assisted CNT dispersions. DNA/CNT film has a significantly higher resistance compared to SDS/CNT film. Taking advantage of the porous nature of printed SDS/CNT film after SDS removal, indium can be electroplated to fill the CNT network and form a CNT/In composite. The CNT/In composite was used as interconnect material. Reworkability and RF performance of In-plated CNT bump structures are studied and the results are presented.

Manganese oxide based nanoparticles were synthesized by sol-gel process. Methanol, ethanol, and propanol were used as alternative solvent during sol-gel process with manganese acetate as precursor for the preparation of pristine manganese oxide. Hybrid MnOx modified by additions of carbon nanotubes was further prepared. Smallest particle size was observed for manganese oxide prepared from propanol, with diameters range from 16 nm to 50nm. XRD results showed that the as prepared manganese oxide based samples at calcination temperature of 300°C and above were composed of Mn2O3 as dominant phase, with Mn3O4 as minor phase. Specific capacitance measured from two electrode systems of manganese oxide prepared from methanol, ethanol, and propanol at scan rate of 10 mV/s were 88.3, 66.0, 104.8 F/g and the result for the hybrid sample was 140.5 F/g. The highest capacitance of the MnOx revealed a specific capacitance of 231.4 F/g when a 1:1 mixture of propanaol and methanol was employed as the solvent for the sol preparation. Results from electrochemical impedance spectroscopy (EIS) also showed superior electrochemical properties of the hybrid sample over pristine manganese oxide samples.

Record-brightness infrared LEDs based on colloidal quantum-dots have been achieved through control of the spacing between adjacent quantum-dots. By tuning the size of quantum-dots, the emission wavelengths can be tuned between 900nm and 1650nm.