Structural and electronic properties of lead nanowires: Ab-initio study

Ab-initio self-consistent study has been performed to analyze the stability of lead nanowires in its six stable configurations like linear, zigzag, triangular, ladder, square and dumbbell. In the present study, the lowest energy structures have been analyzed under the revised Perdew-Burke-Ernzerhof (revPBE) parameterization of generalized gradient approximation (GGA) potential. The two-atom zigzag shaped atomic configuration with highest binding energy and lowest total energy has been confirmed as the most stable structure out of the six atomic configurations. The electronic band structure and density of states have been discussed in detail with a remarkable observation in case of three-atom triangular lead nanowire having a very small band gap while other configurations are found to be metallic. Bulk modulus, pressure derivatives and lattice parameters for different lead nanowires have also been computed and discussed.     

Catalytic action of gold and copper crystals in the growth of carbon nanotubes

Multi-wall carbon nanotubes are grown in a chemical vapor deposition process by using bulk gold and copper substrates as catalysts. Nanotube growth starts from a nanometer-sized roughness on the metal surfaces and occurs in a mechanism where the catalyst particle is either at the tip (Au) or root (Cu) of the growing nanotube. Whereas Au leads to nanotubes with good structural perfection, nanotubes grown from Cu show a higher density of defects. High-resolution transmission electron microscopy shows the bonding between Au and carbon at the metal-nanotube interface whereas no bonds between Cu and carbon occur. Highly mobile Au or Cu atoms adsorb at the growing edge of a carbon nanotube from where diffusion along the nanotube wall can lead to the formation of Au or Cu nanowires inside the central hollow of carbon nanotubes.     

Pulse position modulated space?time trellis coding for ultra-wideband impulse radio multiple-input multiple-output communication systems

The design of pulse position modulated (PPM) space-time trellis codes (STTC) for ultra-wideband impulse radio (UWB-IR) multiple-input multiple-output (MIMO) communication systems over slow and fast fading multipath channels is considered. First, A probability of error analysis is carried out to derive upper bounds on pairwise symbol error probability at high and low signal-to-noise ratios (SNRs). From the upper bounds, A new distance notion is introduced and novel design criteria for optimal (in error rate performance) M-ary PPM STTC are deduced for UWB. An optimal binary-PPM STTC is designed for two transmit antennas. Finally, simulation results of the UWB-IR MIMO system, using the optimal STTC, confirm significant improvement in bit-error-rate performance over the uncoded UWB-IR single-input single-output system and also over previously proposed space-time coding scheme for UWB, at higher SNR.     

Preparation, thermal expansion, high pressure and high temperature behavior of Al2(WO4)3

The titled compound Al₂(WO₄)₃ was synthesized by a conventional solid state reaction and characterized by powder XRD. It crystallizes in an orthorhombic (Pbcn, No. 60) lattice, with unit cell parameters as 12.582(2), 9.051(1), 9.128(2) Å, and V = 1039.5(3) (Å)³. The compound was found to show negative thermal expansion (NTE) behavior in the temperature range of 25 to 850°C. The average linear NTE coefficient (₁), in this temperature range, was –1.5 × 10^–6 K^–1. The effect of pressure at ambient temperature, was studied by a Bridgman Anvil (BA) apparatus, to reveal that there is no irreversible phase transition up to 8 GPa. The effect of high pressure and high temperature on this compound was studied by a Toroid Anvil (TA) apparatus. This compound has a limited stability under high pressure and temperature, as it undergoes a decomposition to AlWO₄ and WO_3–x with a partial oxygen loss. As an off-shoot of this work, certain new modifications of WO_3–x under pressure and temperature were observed, viz., monoclinic, tetragonal and an orthorhombic modifications at 5 GPa/1400°C, 3 GPa/900°C and 1.8 GPa/1030°C, respectively. The detailed XRD studies of the products are presented here.     

Dielectric investigations of pristine and modified ZnO nanoparticles for energy storage devices

Pristine ZnO, Al-doped ZnO, and TiO₂ coated ZnO nanoparticles (NPs) were synthesized by the wet chemical precipitation technique. All the synthesized NPs were characterized using X-ray diffraction (XRD), Field emission scanning electron microscopy (FESEM), Transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy. XRD analysis of pristine ZnO and Al-doped ZnO NPs revealed the hexagonal wurtzite structure with P6₃mc space group with no secondary phases and impurities. FESEM micrographs also depicted hexagonal grains with well-defined grain boundaries. TEM images showed hexagonal polyhedral shape for pure ZnO NPs and spherical shape dominating polyhedral particle for Al-doped ZnO NPs, and pseudospherical particles for TiO₂ coated ZnO NPs. Energy-dispersive X-ray spectroscopy of Al-doped ZnO indicates the eminent exchange of dopant in the lattice site of Zn. Dielectric Studies reveal the highest value of the dielectric constant and lowest value of dielectric loss for Al-doped ZnO as compared to pure and TiO₂-coated ZnO NPs. Suggesting Al-doped ZnO to be used as a dielectric material that can serve as a basic building block of the energy storage devices such as dielectric capacitor. TiO₂-coated ZnO NPs demonstrated higher AC conductivity in comparison to pure ZnO and Al-doped ZnO NPs suggesting their use as a conductive nanofiller materials in a polymer-based nanocomposite to achieve higher energy density.

     

Spectroscopic studies on DLC/TM (Cr,Ag, Ti,Ni) multilayers

The hydrogen-free diamond-like carbon (DLC) films with transition metal (TM = Cr, Ag, Ti, Ni) interlayer (bilayer and multilayer) were deposited on to stainless steel and silicon substrates using pulsed laser deposition technique. Secondary ion mass spectroscopy (SIMS) confirmed that the films were hydrogen free. Incorporation of chromium inter layer reduced the stress value by about 3 GPa as determined by micro Raman spectroscopy. Incorporation of the TM inter layer enhanced the photoluminescence (PL) intensity as compared to the monolithic DLC films. The optical band gap determined by spectroscopic ellipsometry for DLC/TM films was found to be in the range of 1.56–1.67 eV.     

Mechanical and thermal behaviour of biodegradable composites based on polycaprolactone with pine cone particle

Polycaprolactone (PCL) was reinforced with natural fibres as they not only permit a substantial reduction of the material costs, but also play a role as reinforcement in mechanical properties. This work was focused on the estimation of mechanical and thermal behaviour based on PCL and Pine Cone particles (PCP) filler at different weight percentages (0, 5, 10, 15, 30 and 45 wt%). Tests results indicated considerable improvement in mechanical properties, corresponding to a gain in impact strength and % elongation of 6 and 9.2% at 15 wt% particle loading, respectively. Some decrease in thermal stability was observed for composites with increasing filler content where as composite at 15% PCP was not significantly affected. Lower melting and crystallization enthalpies and higher crystallinity values were obtained for bio-composites compared with neat PCL. Some decrease in thermal stability and increase in oxygen and water vapour barrier properties were also observed for composites with increasing filler content.     

Evidence of low-symmetry phases in pressure-dependent Raman spectroscopic study of BaTiO<Subscript>3</Subscript>

In the earlier pressure-dependent Raman spectroscopic studies, it has been reported that BaTiO₃ undergoes a tetragonal to cubic phase transition above ~ 2 GPa, whereas pressure-dependent X-ray absorption, X-ray diffuse scattering studies and pair distribution function studies have reported the presence of a low-symmetry rhombohedral phase above ~ 2.3 GPa. In this report, we present our pressure-dependent Raman spectroscopic studies on polycrystalline BaTiO₃ which shows that it first undergoes a transition from tetragonal to orthorhombic/rhombohedral phase above ~ 2.6 GPa and then finally goes to the cubic phase above 8.4 GPa. Pressure-dependent synchrotron X-ray diffraction (SXRD) studies have also been carried out that provided rate of change of volume as a function of pressure resulting in bulk modulus of 215 ± 9 GPa.     

Interplay of reactive oxygen species (ROS) and tissue engineering: a review on clinical aspects of ROS-responsive biomaterials

Reactive oxygen species (ROS) refers to the reactive molecules and free radicals of oxygen generated as the by-products of aerobic respiration. Historically, ROS are known as stress markers that are linked to the response of immune cell against microbial invasion, but recent discoveries suggest their role as secondary messengers in signal transduction and cell cycle. Tissue engineering (TE) techniques have the capabilities to harness such properties of ROS for the effective regeneration of damaged tissues. TE employs stem cells and biomaterial matrix, to heal and regenerate injured tissue and organ. During regeneration, one of the constraints is the unavailability of oxygen as proper vasculature is absent at the injured site. This creates hypoxic conditions at the site of regeneration. Hence, effective response against the stresses like hypoxia spurs the regeneration process. Contrary, hyperoxic condition may increase the risk of ROS stress at the site. TE tries to overcome these limitations with the new class of biomaterials that can sense such stresses and respond accordingly. This review endeavors to explain the role of ROS in stem cell proliferation and differentiation, which is a key component in regeneration. This compilation also highlights the new class of biomaterials that can overcome the hypoxic conditions during tissue regeneration along with emphasis on the ROS-responsive biomaterials and their clinical applications. Incorporating these biomaterials in scaffolds development holds huge potential in tissue or organ regeneration and even in drug delivery.

Graphical abstract

     

Parameter optimization of ferro-sonication pre-treatment process for degradation of bisphenol A and biodegradation from wastewater sludge using response surface model

In this study, the application of response surface model in predicting and optimizing the ferro-sonication pre-treatment for degradation of bisphenol A (BPA), an endocrine disrupter compound from wastewater sludge (WWS) was investigated. The ferro-sonication pre-treatment process was carried out according to central composite design (CCD) with four independent variables such as wastewater sludge solids concentration, pH, ultrasonication time and FeSO(4) concentration. The effect of ferro-sonication pre-treatment was assessed in terms of increase in sludge solids (suspended solids (SS) and volatile solids (VS)) and organic matter (chemical oxygen demand (COD) and soluble organic carbon (SOC)) solubilization and simultaneous BPA degradation from WWS. It was observed that among all the variables studied, ultrasonication time had more significantly affected the efficiency of the ferro-sonication pre-treatment process followed by FeSO(4) and solids concentration. Through this optimization process, it was found that maximum BPA degradation of 88% could be obtained with 163 min ultrasonication time, 2.71 mg/L FeSO(4) concentration, pH 2.81 with 22 g/L SS. Further, the effect of ferro-sonication pre-treatment on biodegradation of WWS was also studied. It was observed that ultrasonication time had significant effect and the higher biodegradation (32.48%) was observed at 180 min ultrasonication time.