Direct hexagonal transition of amorphous (Ge2Sb2Te5)(0.9)Se-0.1 thin films

Ge2Sb2Te5 (GST) is well known for its phase change properties and applications in memory and data storage. Efforts are being made to improve its thermal stability and transition between amorphous and crystalline phases. Various elements are doped to GST to improve these properties. In this work, Se has been doped to GST to study its effect on phase change properties. Amorphous GST film crystallized in to rock salt (NaCl) type structure at 150 degrees C and then transformed to hexagonal structure at 250 degrees C. Interestingly, Se doped GST ((GST)(0.9)Se-0.1) film crystallized directly into hexagonal phase and the intermediate phase of NaCl is not observed. The crystallization temperature (T-c) of (GST)(0.9)Se-0.1 is around 200 degrees C, which is 50 degrees C higher than the T-c of GST. For (GST)(0.9)Se-0.1, the threshold switching occurs at about 4.5V which is higher than GST (3 V). Band gap (E-opt) values of as deposited films are calculated from Tauc plot which are 0.63 eV for GST and 0.66 eV for (GST)(0.9)Se-0.1. The E-opt decreases for the films annealed at higher temperatures. The increased T-c, E-opt, the contrast in resistance and the direct transition to hexagonal phase may improve the data readability and thermal stability in the Se doped GST film. (C) 2014 AIP Publishing LLC.

Spectral response of a droplet in pulsating external flow field

A droplet introduced in an external convective flow field exhibits significant multimodal shape oscillations depending upon the intensity of the aerodynamic forcing. In this paper, a theoretical model describing the temporal evolution of normal modes of the droplet shape is developed. The fluid is assumed to be weakly viscous and Newtonian. The convective flow velocity, which is assumed to be incompressible and inviscid, is incorporated in the model through the normal stress condition at the droplet surface and the equation of motion governing the dynamics of each mode is derived. The coupling between the external flow and the droplet is approximated to be a one-way process, i.e., the external flow perturbations effect the droplet shape oscillations and the droplet oscillation itself does not influence the external flow characteristics. The shape oscillations of the droplet with different fluid properties under different unsteady flow fields were simulated. For a pulsatile external flow, the frequency spectra of the normal modes of the droplet revealed a dominant response at the resonant frequency, in addition to the driving frequency and the corresponding harmonics. At driving frequencies sufficiently different from the resonant frequency of the prolate-oblate oscillation mode of the droplet, the oscillations are stable. But at resonance the oscillation amplitude grows in time leading to breakup depending upon the fluid viscosity. A line vortex advecting past the droplet, simulated as an isotropic jump in the far field velocity, leads to the resonant excitation of the droplet shape modes if and only if the time taken by the vortex to cross the droplet is less than the resonant period of the P-2 mode of the droplet. A train of two vortices interacting with the droplet is also analysed. It shows clearly that the time instant of introduction of the second vortex with respect to the droplet shape oscillation cycle is crucial in determining the amplitude of oscillation. (C) 2014 AIP Publishing LLC.

Solvent polarity and nanoscale morphology in bulk heterojunction organic solar cells: A case study

Organic bulk heterojunction solar cells were fabricated under identical experimental conditions, except by varying the solvent polarity used for spin coating the active layer components and their performance was evaluated systematically. Results showed that presence of nitrobenzene-chlorobenzene composition governs the morphology of active layer formed, which is due to the tuning of solvent polarity as well as the resulting solubility of the P3HT:PCBM blend. Trace amount of nitrobenzene favoured the formation of better organised P3HT domains, as evident from conductive AFM, tapping mode AFM and surface, and cross-sectional SEM analysis. The higher interfacial surface area thus generated produced cells with high efficiency. But, an increase in the nitrobenzene composition leads to a decrease in cell performance, which is due to the formation of an active layer with larger size polymer domain networks with poor charge separation possibility. (C) 2014 AIP Publishing LLC.

Tuning of the electro-mechanical behavior of the cellular carbon nanotube structures with nanoparticle dispersions

The mechanical and electrical characteristics of cellular network of the carbon nanotubes (CNT) impregnated with metallic and nonmetallic nanoparticles were examined simultaneously by employing the nanoindentation technique. Experimental results show that the nanoparticle dispersion not only enhances the mechanical strength of the cellular CNT by two orders of magnitude but also imparts variable nonlinear electrical characteristics; the latter depends on the contact resistance between nanoparticles and CNT, which is shown to depend on the applied load while indentation. Impregnation with silver nanoparticles enhances the electrical conductance, the dispersion with copper oxide and zinc oxide nanoparticles reduces the conductance of CNT network. In all cases, a power law behavior with suppression in the differential conductivity at zero bias was noted, indicating electron tunneling through the channels formed at the CNT-nanoparticle interfaces. These results open avenues for designing cellular CNT foams with desired electro-mechanical properties and coupling. (C) 2014 AIP Publishing LLC.

Structural and thermodynamic properties of Fe1.12Te with multiple phase transitions

The parent compound of iron chalcogenide superconductors, Fe1+yTe, with a range of excess Fe concentrations exhibits intriguing structural and magnetic properties. Here, the interplay of magnetic and structural properties of Fe1.12Te single crystals have been probed by low-temperature synchrotron X-ray powder diffraction, magnetization, and specific heat measurements. Thermodynamic measurements reveal two distinct phase transitions, considered unique to samples possessing excess Fe content in the range of 0.11 <= y <= 0.13. On cooling, an antiferromagnetic transition, T-N approximate to 57K is observed. A closer examination of powder diffraction data suggests that the transition at TN is not purely magnetic, but accompanied by the commencement of a structural phase transition from tetragonal to orthorhombic symmetry. This is followed by a second prominent first-order structural transition at T-S with T-S < T-N, where an onset of monoclinic distortion is observed. The results point to a strong magneto-structural coupling in this material. (C) 2014 AIP Publishing LLC.

Designing one dimensional Co-Ni/Co3O4-NiO core/shell nano-heterostructure electrodes for high-performance pseudocapacitor

A high-performance supercapacitor electrode based on unique 1D Co-Ni/Co3O4-NiO core/shell nano-heterostructures is designed and fabricated. The nano-heterostructures exhibit high specific capacitance (2013 F g(-1) at 2.5 A g(-1)), high energy and power density (23Wh kg(-1) and 5.5kW kg(-1), at the discharge current density of 20.8 A g(-1)), good capacitance retention and long cyclicality. The remarkable electrochemical property of the large surface area nano-heterostructures is demonstrated based on the effective nano-architectural design of the electrode with the coexistence of the two highly redox active materials at the surface supported by highly conducting metal alloy channel at the core for faster charge transport. (C) 2014 AIP Publishing LLC.

Temperature dependent electrical behaviour of Cu2SnS3 films

The temperature dependent electrical properties of the dropcasted Cu2SnS3 films have been measured in the temperature range 140 K to 317 K. The log I versus root V plot shows two regions. The region at lower bias is due to electrode limited Schottky emission and the higher bias region is due to bulk limited Poole Frenkel emission. The ideality factor is calculated from the ln I versus V plot for different temperatures fitted with the thermionic emission model and is found to vary from 6.05 eV to 12.23 eV. This large value is attributed to the presence of defects or amorphous layer at the Ag / Cu2SnS3 interface. From the Richardson's plot the Richardson's constant and the barrier height were calculated. Owing to the inhomogeneity in the barrier heights, the Richardson's constant and the barrier height were also calculated from the modified Richardson's plot. The I-V-T curves were also fitted using the thermionic field emission model. The barrier heights were found to be higher than those calculated using thermionic emission model. From the fit of the I-V-T curves to the field emission model, field emission was seen to dominate in the low temperature range of 140 K to 177 K. The temperature dependent current graphs show two regions of different mechanisms. The log I versus 1000/T plot gives activation energies E-a1 = 0.367095 - 0.257682 eV and E-a2 = 0.038416 - 0.042452 eV. The log ( I/T-2) versus 1000/T graph gives trap depths Phi(o1) = 0.314159 - 0.204752 eV and Phi(o2) = 0.007425- 0.011163 eV. With increasing voltage the activation energy E-a1 and the trap depth Phi(o1) decrease. From the ln (IT1/ 2) versus 1/T-1/ 4 graph, the low temperature region is due to variable range hopping mechanism and the high temperature region is due to thermionic emission. (C) 2014 Author(s).

Insight into instabilities in burning droplets

The complex multiscale physics of nano-particle laden functional droplets in a reacting environment is of fundamental and applied significance for a wide variety of applications ranging from thermal sprays to pharmaceutics to modern day combustors using new brands of bio-fuels. Formation of homogenous nucleated bubbles at the superheat limit inside vaporizing droplets (with or without nanoparticles) represents an unstable system. Here we show that self-induced boiling in burning functional pendant droplets can produce severe volumetric shape oscillations. Internal pressure build-up due to ebullition activity ejects bubbles from the droplet domain causing undulations on the droplet surface and oscillations in bulk. Through experiments, we establish that the degree of droplet deformation depends on the frequency and intensity of these bubble expulsion events. In a distinct regime of single isolated bubble residing in the droplet, however, pre-ejection transient time is identified by Darrieus-Landau evaporative instability, where bubble-droplet system behaves as a synchronized driver-driven system with bulk bubble-shape oscillations being imposed on the droplet. The agglomeration of nanophase additives modulates the flow structures within the droplet and also influences the bubble inception and growth leading to different levels of instabilities. (C) 2014 AIP Publishing LLC.

Electrical switching, SET-RESET, and Raman scattering studies on Ge15Te80-xIn5Agx glasses

Bulk Ge15Te85-xIn5Agx glasses are shown to exhibit electrical switching with switching/threshold voltages in the range of 70-120V for a sample thickness of 0.3 mm. Further, the samples exhibit threshold or memory behavior depending on the ON state current. The compositional studies confirm the presence of an intermediate phase in the range 8 <= x <= 16, revealed earlier by thermal studies. Further, SET-RESET studies have been performed by these glasses using a triangular pulse of 6 mA amplitude (for SET) and 21 mA amplitude (for RESET). Raman studies of the samples after the SET and RESET operations reveal that the SET state is a crystalline phase which is obtained by thermal annealing and the RESET state is the glassy state, similar to the as-quenched samples. It is interesting to note that the samples in the intermediate phase, especially compositions at x = 10, 12, and 14 withstand more set-reset cycles. This indicates compositions in the intermediate phase are better suited for phase change memory applications. (C) 2014 AIP Publishing LLC.

Precision control of drying using rhythmic dancing of sessile nanoparticle laden droplets

This work analyses the unique spatio-temporal alteration of the deposition pattern of evaporating nanoparticle laden droplets resting on a hydrophobic surface through targeted low frequency substrate vibrations. External excitation near the lowest resonant mode (n = 2) of the droplet initially de-pins and then subsequently re-pins the droplet edge creating pseudo-hydrophilicity (low contact angle). Vibration subsequently induces droplet shape oscillations (cyclic elongation and flattening) resulting in strong flow recirculation. This strong radially outward liquid flow augments nanoparticle transport, vaporization, and agglomeration near the pinned edge resulting in much reduced drying time under certain characteristic frequency of oscillations. The resultant deposit exhibits a much flatter structure with sharp, defined peripheral wedge topology as compared to natural drying. Such controlled manipulation of transport enables tailoring of structural and topological morphology of the deposits and offers possible routes towards controlling the formation and drying timescales which are crucial for applications ranging from pharmaceutics to surface patterning. (C) 2014 AIP Publishing LLC.

Near-infrared photoactive Cu3BiS3 thin films by co-evaporation

Semiconducting Cu3BiS3 (CBS) thin films were deposited by co-evaporation of Cu, Bi elemental metallic precursors, with in situ sulphurisation, using a quartz effusion cell. Cu3BiS3 thin films were structurally characterized by XRD and FE-SEM. The chemical bonding of the ions was examined by XPS. As deposited films were demonstrated for metal-semiconductor-metal near IR photodectection under lamp and laser illuminations. The photo current amplified to three orders and two orders of magnitude upon the IR lamp and 60 m W cm(-2) 1064 nm IR laser illuminations, respectively. Larger grains, made up of nano needle bunches aided the transport of carriers. Transport properties were explained based on the trap assisted space charge conduction mechanism. Steady state detector parameters like responsivity varied from 1.04 AW(-1) at 60 m Wcm(-2) to 0.22 AW(-1) at 20 m Wcm(-2). Detector sensitivity of 295 was found to be promising and further could be tuned for better responsivity and efficiency in utilization of near infra-red photodetector. (C) 2014 AIP Publishing LLC.

Effect of size reduction on magnetic ordering in Bi0.2Sr0.8MnO3

We present a comparative study of the temperature dependent magnetic properties and electron paramagnetic resonance parameters of nano and bulk samples of Bi0.2Sr0.8MnO3 (BSMO). Bulk BSMO is known to have a high T-N similar to 260K and robust charge ordering (T-CO similar to 360 K). We confirm that the bulk sample shows an antiferromagnetic transition around similar to 260K and a spin-glass transition similar to 40 K. For the nano sample, we see a clear ferromagnetic transition at around similar to 120 K. We conclude that spin glass state, which is present due to the co-existence of antiferromagnetic and ferromagnetic states in the bulk sample, is suppressed in the nano sample and ferromagnetism is induced instead. (C) 2014 AIP Publishing LLC.

Correlation between thermodynamic anomalies and pathways of ice nucleation in supercooled water

The well-known classical nucleation theory (CNT) for the free energy barrier towards formation of a nucleus of critical size of the new stable phase within the parent metastable phase fails to take into account the influence of other metastable phases having density/order intermediate between the parent metastable phase and the final stable phase. This lacuna can be more serious than capillary approximation or spherical shape assumption made in CNT. This issue is particularly significant in ice nucleation because liquid water shows rich phase diagram consisting of two (high and low density) liquid phases in supercooled state. The explanations of thermodynamic and dynamic anomalies of supercooled water often invoke the possible influence of a liquid-liquid transition between two metastable liquid phases. To investigate both the role of thermodynamic anomalies and presence of distinct metastable liquid phases in supercooled water on ice nucleation, we employ density functional theoretical approach to find nucleation free energy barrier in different regions of phase diagram. The theory makes a number of striking predictions, such as a dramatic lowering of nucleation barrier due to presence of a metastable intermediate phase and crossover in the dependence of free energy barrier on temperature near liquid-liquid critical point. These predictions can be tested by computer simulations as well as by controlled experiments. (C) 2014 AIP Publishing LLC.

Effect of quantum nuclear motion on hydrogen bonding

This work considers how the properties of hydrogen bonded complexes, X-H center dot center dot center dot Y, are modified by the quantum motion of the shared proton. Using a simple two-diabatic state model Hamiltonian, the analysis of the symmetric case, where the donor (X) and acceptor (Y) have the same proton affinity, is carried out. For quantitative comparisons, a parametrization specific to the O-H center dot center dot center dot O complexes is used. The vibrational energy levels of the one-dimensional ground state adiabatic potential of the model are used to make quantitative comparisons with a vast body of condensed phase data, spanning a donor-acceptor separation (R) range of about 2.4-3.0 angstrom, i.e., from strong to weak hydrogen bonds. The position of the proton (which determines the X-H bond length) and its longitudinal vibrational frequency, along with the isotope effects in both are described quantitatively. An analysis of the secondary geometric isotope effect, using a simple extension of the two-state model, yields an improved agreement of the predicted variation with R of frequency isotope effects. The role of bending modes is also considered: their quantum effects compete with those of the stretching mode for weak to moderate H-bond strengths. In spite of the economy in the parametrization of the model used, it offers key insights into the defining features of H-bonds, and semi-quantitatively captures several trends. (C) 2014 AIP Publishing LLC.

A Gibbs-ensemble based technique for Monte Carlo simulation of electric double layer capacitors (EDLC) at constant voltage

Current methods for molecular simulations of Electric Double Layer Capacitors (EDLC) have both the electrodes and the electrolyte region in a single simulation box. This necessitates simulation of the electrode-electrolyte region interface. Typical capacitors have macroscopic dimensions where the fraction of the molecules at the electrode-electrolyte region interface is very low. Hence, large systems sizes are needed to minimize the electrode-electrolyte region interfacial effects. To overcome these problems, a new technique based on the Gibbs Ensemble is proposed for simulation of an EDLC. In the proposed technique, each electrode is simulated in a separate simulation box. Application of periodic boundary conditions eliminates the interfacial effects. This in addition to the use of constant voltage ensemble allows for a more convenient comparison of simulation results with experimental measurements on typical EDLCs. (C) 2014 AIP Publishing LLC.