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Electrical and Non-linear Optical Properties of LiTa(Nb)O3 Nanostructures Evolved in Borate Glass Matrices
The design, fabrication and application of materials that are of dimension(s) in the nanoscale form the basis of nanotechnology. Nanotechnology thrives owing to the anomalous, unique or even at times, extraordinary physical ...
Theoretical Investigation of H-Bonded O-H Vibrations, H-Atom Transfer and C-H Vibrations via Empirical Valence Bond and Local Mode Based Models
In this thesis, I have presented my work on properties of hydrogen(H) bonded systems, H-atom transfer reaction in solution and molecular vibrational spectra through theoretical inves-tigations. The studies are based on two ...
Understanding Ultrafast Molecular Structural Dynamics in Liquids : Ultrafast Raman Loss and Transient Absorption Study
The present thesis deals with the detailed ultrafast experimental studies on the ex-cited state vibrational dynamics of model chemical systems in condensed phase. The molecular systems are studied by means of Ultrafast ...
Overcoming Challenges Associated with Hydrogen Storage Efficiency and Fuel Cell Catalysis : An Ab Initio Study
Fuel cells offer the best solution to the imminent energy and environmental crisis staring at
our face, urging the scientific community to overcome all the challenges faced by its effective
commercialization. These harness ...
Vanadium Complexes for DNA Crosslinking and Photodynamic Applications
The present thesis work deals with the studies involving synthesis of vanadium-based complexes as photoactivated chemotherapeutic as well a photodynamic therapeutic agent. Their interactions with DNA, as double-stranded ...
Integration of AlGaN with (111) Si Substrate by MOCVD
AlGaN is an important semiconductor material for electronic and optoelectronic applications.
The change in composition of AlGaN (AlN to GaN) provides a range of bandgaps extending
from 6.01 eV, far ultraviolet, to 3.4 ...
Aqueous and Non-aqueous Dispersions of Graphene and Boron Nitride Nanosheets : NMR Measurements and Molecular Dynamics Simulations
Preface
Ever since the discovery of graphene in 2004, there has been considerable interest in
two dimensional (2D) nanomaterials due to their distinctive properties and the prospect
of potential applications. A ...
A Study of Photophysics and Photochemistry of I-III-VI2 Nanocrystals
This thesis, entitled “A Study of Photophysics and Photochemistry of I-III-VI2 Nanocrystals” primarily deals with the properties of I-III-VI2 semiconductor nanocrystals composed of earth abundant, environmentally benign ...
III- Nitride Thin Films and Nanostructures on Si(111) by Plasma Assisted Molecular Beam Epitaxy
This thesis focuses on studying heterostructures of GaN, Silicon and AlN. GaN nanostructures are grown on bare Si (111) with and without a GaN buffer layer and GaN film was grown on an AlN layer. Apart from the material ...
Accelerated search for thermoelectric and topological materials using first-principles and machine learning
In summary, we have performed first-principles calculations to study the topological phase transitions
in chalcopyrite compounds as a function of hydrostatic pressure. These compounds are
topological insulators in the ...