Nanoscience and Nanotechnology

• Virtual Nanolab with Quantum wise Toolkit for Nanotechnology Simulation:- (DFT Based) Software for simulation and analysis of the atomic scale properties of nanoscale devices.

• Numerical Engine features:

  • Electronic structure and electron transport

  • Calculations on molecules, periodic systems and two probe systems

  • Ab initio DFT method.

  • Quantum wise ToolKit (ATK) capable of modeling electrical properties of nanostructured systems coupled to semi-infinite electrodes

  • Calculate transmission spectrum and current-voltage characteristicsVisualize atomic geometries and calculated physical quantities in 3D

  • Get assistance in setting up samples and choosing simulation parameter

  • Spin-polarized calculation of current, transmission, and energy spectra

  • Molecular levels and orbitals, HOMO/LUMO level for molecular systems, Mulliken population analysis

  • Parallelized code (MPICH), specifically optimized for transport calculations (k-point sampling and energy integrals, plus matrix element evaluation)

  • Calculation of electron density and effective potentials

  • Conventional electronic structure simulations, including spin-polarized calculations and optimized atomic geometries, of periodic and isolated systems

  • Based on self-consistent density functional theory (DFT) and non-equilibrium Green’s functions it is efficient and powerful tool for calculating and understanding the intrinsic properties of nanoscale systems

  • Extensive set of experiments/examples given like Carbon Nanotube structures, Semiconductor Nanowires, Molecular Diodes, Crystalline Magnetotunnel junctions, Switching mechanism, Metallic contacts etc.

   

• LCR – Q – Meter (digital) to measure L (inductance), C (capacitance) & R (resistance) of nanocomposites at three different frequency ranges, i.e., 100, 1 and 10 KHz.

• Study dielectric constant of nanomaterials by measuring capacitance at various temperature ranges.

• Hall effect set up to study properties of magnetic nanoparticles.

• Four probe set up to measure resistivity of semiconductor nanoparticle samples at different temperatures and determination of band gap and I-V characteristics.

• Two probe set up used to measure resistivity of very high resistive samples like polymer, nanocomposite thin films and nanoparticle self-assemblies.

• Vacuum coating unit to prepare thin films of nanomaterials and composites

• This laboratory is hosted with Perkin Elmer FTIR, UV-vis, Spectrofluorometer, Rheometer, Zetameter, Melallurgical Microscope, Ball Mill, pH Analyzer, Vacuum & Hot Air Oven, Scientific Microwave, Cold Temperature Circulating Bath, Gloss meters, Centrifuge etc.