Hydrogen storage in TiO2 functionalized (10, 10) single walled carbon nanotube (SWCNT) – First principles study

Hydrogen storage in titanium dioxide (TiO₂) functionalized (10, 10) armchair single walled carbon nanotube (SWCNT) is investigated through first principle calculations using density functional theory (DFT). This first principles study uses Vienna Ab-initio Simulation Package (VASP) with ultrasoft pseudopotentials and local density approximation (LDA). The necessary benchmark and other systematic calculations were carried out to project the hydrogen storage capability of the designed system. Interestingly, the TiO₂ molecules functionalized on the outer surface of SWCNT do not undergo any dimerization/clustering thus giving excellent stability and usable gravimetric hydrogen storage capacity of 5.7 wt.% and the value nearly fulfills the US DOE target (i.e. 6 wt.%). The band structure and density of states (DOS) plots suggest that the functionalization can lead a way to transform the nature (metallic → semiconducting) of the pristine SWCNT. The nominal values of H₂ storage capacity and binding energies give much hope for using CNT functionalized with TiO₂ as a practical and reversible hydrogen storage medium (HSM).     

Numerical investigation of a convective hybrid nanofluids around a rotating sheet

Hybrid nanofluids are formulated with various kinds of base fluids. They are designed to provide good heat transfer performance. They can achieve this by dispersing various kinds of nanoparticles in the base materials. This new technology of formulating hybrid nanofluids has a wide range of applications in various industries such as solar energy, medical equipment, and aerospace. Keeping these applications in view, this study provides an insight into the effects of convective heat transport on a Hybrid nanofluid, across a rotating sheet with a variable heat source. In this investigation, the governing boundary layer partial differential equations were modified into the ordinary differential equations, by using the proper similarity transformations. Later, they were solved numerically, with the support of the Lobatto IIIA technique in MATLAB. The influence of the Richardson number on flow parameters was studied, and it was discovered that increasing Ri increases the velocity while decreasing temperature and concentration profiles. The impact of various other flow parameters on the flow fields and also on the behavior of Nusselt number, coefficient skin friction, and Sherwood number were studied and represented graphically. The outcomes were found to be in excellent accord when compared with quoted studies.     

MEMS tunable SOI waveguide Bragg grating filter with 1.3 THz tuning range for C-band 100 GHz DWDM optical network

A MEMS tunable integrated waveguide Bragg grating-based filter for C-band optical dense wavelength-division multiplexing (DWDM) network is presented and analyzed in this work. Waveguide Bragg grating being a notch filter in the transmission spectrum is used to realize a tunable filter by varying the applied voltages to the fixed–fixed beam loaded with this grating. The strain across the grating is enhanced by choosing MEMS beam configuration such that the metal electrode is the bottom-most layer of the composite fixed–fixed beam. Device dimensions are chosen to achieve a narrow full width half maximum of 0.77 nm, allowing filtering of adjacent channels of 100 GHz DWDM network. A large Bragg wavelength shift of 10.4 nm (1552.52–1562.92 nm) was achieved at 45.8 V actuation providing tuning for 14 DWDM channels with inter-channel cross talk below ? 21 dB, with tuning range of 1.3 THz.

     

An Improved Genetic with Particle Swarm Optimization Algorithm Based on Ensemble Classification to Predict Protein–Protein Interaction

Wireless Personal Communications - Protein–protein interaction plays an important role in biological function. Though protein interaction and non-interaction is a broad field, PPI is...     

One-pot synthesis of conjugated nitroalkenes by diamino-functionalised mesoporous material

Nitroalkenes are synthesised for the first time in a one-pot liquid-phase procedure from carbonyl compounds and nitroalkanes using organic-diamine-functionalised mesoporous material (MCM-41) as the catalyst. The yields are reasonable to excellent and the reaction conditions are mild. The hybrid solid base catalyst can be recycled several times with consistent activity. This revised version was published online in July 2006 with corrections to the Cover Date.     

Transesterification of β ‐keto esters catalysed by transition metal complexes in a novel heterogeneous way

β‐keto esters have been successfully transesterified with primary, secondary, tertiary, allyl and alkynic alcohols by recyclable Mn(III) salen or vanadyl(IV) acetate catalysts realised while conducting the reaction deliberately for the first time in a novel heterogeneous media to afford good to excellent yields. This revised version was published online in July 2006 with corrections to the Cover Date.     

Convenient synthesis of (thiocyanomethyl)-thio heteroaromatics as antifungal agents

Synthesis of some (thiocyanomethyl)-thio heteroaromatic derivatives by reacting metal salts of (mercapto) heteraromatics with chloromethylthiocyanate using methanol or acetone as cosolvent, reported. All the synthesized derivatives were identified by conventional methods, IR-, ¹H NMR and mass spectral data. All the prepared compounds were tested for their antifungal activity. © 1998 SCI     

The One‐Pot Wittig Reaction: A Facile Synthesis of α,β‐Unsaturated Esters and Nitriles by Using Nanocrystalline Magnesium Oxide

Nanocrystalline magnesium oxide was found to be an effective heterogeneous, solid base catalyst for the one‐pot Wittig reaction to afford α,β‐unsaturated esters and nitriles in excellent yields with high E‐stereoselectivity in the presence of triphenylphosphine under mild conditions.