A5002935508- Advanced Sensor and Energy Harvesting Materials
- Semiconductor Quantum Structures and Devices
- Perovskite Materials and Applications
- Quantum Dots Synthesis And Properties
- Pesticide Exposure and Toxicity
- Photochemistry and Electron Transfer Studies
- Atomic and Molecular Physics
- Photochromic and Fluorescence Chemistry
- Crystallization and Solubility Studies
- Laser-Matter Interactions and Applications
- Nonlinear Optical Materials Research
- Luminescence and Fluorescent Materials
- Conducting polymers and applications
- Quantum Information and Cryptography
- Semiconductor materials and devices
- Pigment Synthesis and Properties
- Molecular Junctions and Nanostructures
- Electronic and Structural Properties of Oxides
- Ferroelectric and Negative Capacitance Devices
- Environmental Toxicology and Ecotoxicology
- Luminescence Properties of Advanced Materials
- Spectroscopy and Quantum Chemical Studies
- Environmental remediation with nanomaterials
- Dielectric materials and actuators
- Mass Spectrometry Techniques and Applications
Guru Gobind Singh Indraprastha University
2014-2024
University of Delhi
2001-2021
Defence Research and Development Establishment
2009-2011
Rashtrasant Tukadoji Maharaj Nagpur University
1984-1985
Rani Durgavati University
1985
Herein, we describe the growth and morphology of well-defined dyed crystals KH2PO4 (potassium dihydrogen orthophosphate; KDP) containing organic azo (sunset yellow; SSY) dye in {1 0 1} & {0 pyramidal sectors. An understanding on selective inclusion various sector host crystal is proposed, which will help designing novel tailor-made photonic crystals. The structural analysis identification functional groups present as grown KDP were carried out using powder XRD, FTIR Raman studies. Solid...
The solvent effect on the molecular properties of lawsone and purpurin molecules has been investigated using DFT TD-DFT. calculations have performed CAM-B3LYP functional 6-311++G(d,p) basis set. Molecular including solute energy, electronic spatial extent, HOMO–LUMO energy gap, thermodynamic properties, free solvation, UV–visible spectra studied. These analysed in 12 solvents, i.e. benzene, chloroform, aniline, dichloromethane, dichloroethane, benzyl alcohol, 3-pentanone, acetone, ethanol,...
Linear, nonlinear, and total absorption coefficient refractive index changes of double-quantum well (DQW) systems are studied theoretically in the presence external static electric field applied along growth direction. The analytical expression for linear nonlinear optical properties is obtained using density matrix method. Emphasis laid on effect asymmetry shapes DQW system properties. Some interesting results explained.
(La2O3)n (n=1-5) clusters have been computationally studied using DFT and TDDFT with B3LYP functional under hybrid GGA approximation LANL2DZ basis set. The doping effect of various elements like Ba, Y Hf on the structural, electronic non-linear optical (NLO) properties has for finding their optoelectronic applications. Different optimised geometries doped obtained. HOMO-LUMO gap (ΔE) chemical hardness (τ) decreases significantly atoms making these very reactive. Refractive index absorption...
The color centers in microcrystalline powders of alkali halides are considerably less stable than those single crystals. differences had been attributed to the interaction moving dislocations, which abundantly present with centers. However, powders, surface effects also expected be important. Experiments performed distinguish between and interactions dislocations reported this paper. It is shown that majority experimental evidence favors dislocation model, although possibility playing some...
The Diels-Alder reaction involves cycloaddition of dienes and dienophiles to form a six-membered ring. the formation adduct which can have two possible configurations, viz, endo exo. For vast majority reactions, is major adduct. This first ever study focuses on between dibenzazepine 2,5-dimethylfuran depicted by computational method using Gaussian 16 software at different basis set levels. studied under temperatures in gas phase aqueous medium. kinetically favored preferred low as compared...
The optical properties of an electron with impurity in a spherical quantum dot under parabolic confinement are studied and energies, wave functions, binding radial matrix elements, polarizability, susceptibility oscillator strength have been evaluated. numerical method used is the finite difference framework effective mass approximation. variation energy levels elements as function radius GaAs sphere also frequency harmonic potential or potential. In addition we how vary at different frequencies.
An accurate and powerful pseudostate summation technique has been used to study multiphoton ionization of an atom. Results are obtained for three-photon hydrogen from the ground state, as well metastable 2s state. We calculate cross section these states both linearly circularly polarized light, thereby showing effect polarization incident photons on section. Although our method calculation is entirely different, results mirror closely those by conventional methods.