Allahabad University – TechConnect Briefs

DFT Calculation of interaction energies in model alanine and valine using different Basis sets

Singh J., Singh S.C., Singh J., Singh S.C., Allahabad University, IN

Alanine and valine are the most important primary amino acids and take important roles in the protein, DNA, RNA and other biological molecular synthesis. Computational approaches to solve the complex problem in material science and [...]

Photoluminescence Studies of Zn-ZnO Inorganic/ SDS Organic Nanocomposite Materials Synthesized by Laser Ablation at Different Temperature

Singh S.C., Swarnkar R.K., Gopal R., Allahabad University, IN

Materials at the nanoscale have shown their importance in the fabrication of electronic, optoelectronic, sensing, and energy storing and harvesting devices. They act also vital role in the fluorescent tagging, fluorescence microscopy and imagine. Fluorescent [...]

Nickel ferrite Nanomaterials by Pulsed laser ablation in Water; Structural, Optical and Magnetic Characterizations

Gopal R., Singh S.C., Swarnkar R.K., Allahabad University, IN

Nickel ferrite nanoparticles are synthesized by pulsed laser ablation of corresponding bulk target in the double distilled water. Focused output of fundamental and third harmonics from pulsed Nd:YAG laser operating at 40 and 25 mJ/pulse [...]

Optical properties of [001] GaN nanowires- An ab-initio study

Agrawal B.K., Agrawal S., Pathak A., Agrawal B.K., Agrawal S., Allahabad University, IN

We study the physical properties of the unpassivated and H-passivated GaN nanowires (NWs) by employing the first–principles pseudopotential method within density functional theory (DFT). Two types of the NW’s having hexagonal and triangular cross-sections have [...]

Carbon nanotube superlattices- An oscillatory metallic behaviour

Agrawal B.K., Pathak A., Allahabad University, IN

The physical properties of the (n,n)/(2n,0); n = 3 and 6 superlattices of the carbon nanotubes (CN’s) has been studied by employing the first–principle pseudopotential method. The curvature effects on the various properties are also [...]