Harekrishna Bar

Enhanced photocatalytic activity of metal coated ZnO nanowires.

A simple, facile and template free route has been described for the synthesis of ZnO nanowires. The morphology and structure of ZnO nanowires have been tuned by deposing silver and gold onto the surface of ZnO nanowire and this has been done by adding AgNO(3) and HAuCl(4) to aqueous suspension of ZnO. Our synthesized Ag and Au coated ZnO nanoparticles show different emissive property than the native ZnO nanowires. The photocatalytic degradation of Methylene Blue is also evaluated using ZnO and Ag and Au coated ZnO nanowires. It has been observed that Ag coated ZnO nano-needles exhibits significantly enhanced photocatalytic efficiency compare to ZnO nanowire and Au coated ZnO nano-leaves. Fluorescence spectra and surface structure of the samples with their photocatalytic activity indicates that surface deposited metal serves as an electron sinks to enhance the separation of photoinduced electrons from holes, leading to the formation of OH and it enhances their photocatalytic efficiency.

Aqueous-Phase Synthesis of Silver Nanodiscs and Nanorods in Methyl Cellulose Matrix: Photophysical Study and Simulation of UV-Vis Extinction Spectra Using DDA Method

We present a very simple and effective way for the synthesis of tunable coloured silver sols having different morphologies. The procedure is based on the seed-mediated growth approach where methyl cellulose (MC) has been used as soft-template in the growth solution. Nanostructures of varying morphologies as well as colour of the silver sols are controlled by altering the concentration of citrate in the growth solution. Similar to the polymers in the solution, citrate ions also dynamically adsorbed on the growing silver nanoparticles and promote one (1-D) and two-dimensional (2-D) growth of nanoparticles. Silver nanostructures are characterized using UV–vis and HR-TEM spectroscopic study. Simulation of the UV–vis extinction spectra of our synthesized silver nanostructures has been carried out using discrete dipole approximation (DDA) method.

DFT based computational study on the excited state intramolecular proton transfer processes in o-hydroxybenzaldehyde

Potential energy (PE) curves for the intramolecular proton transfer in the ground (GSIPT) and excited (ESIPT) states of o-hydroxybenzaldehyde (OHBA) were studied using DFT-B3LYP/6-31G(d) and TD-DFT-B3LYP/6-31G(d) level of theory, respectively. Our calculations suggest the non-viability of ground state intramolecular proton transfer in this compound. Excited states PE calculations support the ESIPT process in OHBA. The contour PE diagram and the variation of oscillator strength along the proton transfer co-ordinate support the dual emission in OHBA. Our calculations also support the experimental observations of Nagaoka et al. [S. Nagaoka, U. Nagashima, N. Ohta, M. Fujita, T. Takemura, J. Phys. Chem. 92 (1988) 166], i.e. normal emission of the title compound comes from S(2) state and the red-shifted proton transfer band appears from the S(1) state. ESIPT process has also been explained in terms of HOMO and LUMO electron density of the enol and keto tautomer of OHBA and from the potential energy surfaces.

Synthesis of gold nanoparticles of variable morphologies using aqueous leaf extracts of Cocculus hirsutus

Spherical, triangular (prismatic) and square plate shaped gold nanoparticles have been synthesised from HAuCl4 · 3H2O solution using the aqueous leaf extract of Cocculus hirsutus. Nanoparticles are characterised using higher resolution transmission electron microscope, X-ray diffraction and UV–Vis absorption spectroscopic study. FT-IR analysis reveals that the gold nanostructures are mostly stabilised by the carbonyl and amide groups present in the active component of C. hirsutus leaf extract. Formation of gold nanostructures of variable morphologies has been explained due to slow reduction of gold ions by the mild reducing ascorbic acid present within the extract and this controlled reduction assists the preferential deposition of Au atom on different lesser-protected faces of initially grown gold nanostructure.

Solution-phase synthesis of silver nanodiscs in HPMC-matrix and simulation of UV-vis extinction spectra using DDA based method.

Present investigation demonstrates a very simple seed-mediated route, using hydroxypropyl methyl cellulose (HPMC) as stabilizing agent, for the synthesis of silver nanodiscs in aqueous solution. Central to the concept of seed-mediated growth of nanoparticles is that small nanoparticle seeds serve as nucleation centres to grow nanoparticles to a desired size and shape. It is found that the additional citrate ions in the growth solution play the pivotal role in controlling the size of silver nanodiscs. Similar to the polymers in the solution, citrate ions could be likewise dynamically adsorbed on the growing silver nanoparticles and promote the two-dimensional (2D) growth of nanoparticles. Morphological, structural, and spectral changes associated with the seed-mediated growth of the nanoparticles in the presence of HPMC are characterized using UV-vis and TEM spectroscopic studies. Metal nanoparticles have received increasing attention for their peculiar capability to control local surface plasmon resonance (LSPR) when interacting with incident light waves. Extensive simulation study of the UV-vis extinction spectra of our synthesized silver nanodiscs has been carried out using discrete dipole approximation (DDA) methodology.