Browsing Solid State and Structural Chemistry Unit (SSCU) by Title
Now showing items 40-59 of 224
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Exploration of 1,9-Pyrazoloanthrones as a Copious Reserve for Multifarious Chemical and Biological Applications
(2018-01-07)Pyrazoloanthrone and its analogues form the central core of the thesis and the work is focused on the evaluation of chemical and biological applications of pyrazoloanthrones. Selective and sensitive detection of biologically, ... -
An Exploration of Molecular Recognition Mechanisms and Ligand Induced Transitions in Biomolecules
Molecular recognition refers to processes through which biological macromolecules interact with each other or other small molecules through noncovalent interactions to form specific complexes. Applying molecular recognition ... -
Exploring Diverse Facets of Small Molecules by NMR Spectroscopy
(2017-12-07)The thesis entitled “Exploring Diverse Facets of Small Molecules by NMR Spectroscopy” consists of six chapters. The main theme of the thesis is to exploit one and two dimensional NMR methodologies for understanding the ... -
Exploring Intermolecular Space By Charge Density Analysis In Molecular Crystals
(2013-06-21)The thesis entitled “Exploring Intermolecular Space by Charge Density Analysis in Molecular Crystals” consists of five chapters. A short introductory note highlights the importance of intermolecular interactions and presents ... -
Exploring Topological Semimetallic Phases of Matter through First-Principles Calculations
In recent years, the study of topological phases of matter have received immense interest. Following the discovery of topological insulators, topological band theory has been extended to topological semimetals, characterized ... -
Exploring Transition Metal Oxides Towards Development of New Functional Materials : Lithium-ion Battery Cathodes, Inorganic Pigments And Frustrated Magnetic Perovskite Oxides
(2017-10-11)Transition metals (TMs) are ‘elements whose atoms have partially filled d-shell, or which can give rise to cations with an incomplete d-shell’. In TMs, the d-shell overlaps with next higher s-shell. Most of the TMs exhibit ... -
A Few Applications of Porous Materials in Biology and Environment
The present thesis discusses the beneficial effects of confining biologically relevant molecules inside porous structures of varying morphology and dimensions. Confinement of a biomolecule such as protein, enzymes drugs ... -
A Few Case Studies of CO2 and O2 Electrocatalysis in Energy Storage
Li-ion batteries has been a resounding success in the domain of portable applications such as electronic devices and are being increasingly explored in electric vehicles and grid storage. Conventional Li-ion batteries ... -
A Few Case Studies of Materials Designed for Electrochemical Nitrogen Reduction for Ammonia Synthesis and Rechargeable Li-N2 Battery
Ammonia (NH₃) is a cornerstone of the fertilizer industry, with approximately 80% of its global production used to sustain agriculture and feed the global population [1, 2]. Beyond its role in agriculture, NH₃ is a carbon-free ... -
A Few Case Studies of Polymer Conductors for Lithium-based Batteries
(2018-01-17)The present thesis demonstrates and discusses polymeric ion and mixed ion-electron conductors for rechargeable batteries based on lithium viz. lithium-ion and lithium-sulphur batteries. The proposed polymer ion conductors ... -
Fluoranthene-Based Materials for Non-Doped Blue Organic Light-Emitting Diodes
(2018-05-16)The organic light-emitting diode (OLED) technology is emerging to be the future technology of choice for thin, flexible and efficient display and lighting panels and is a potential competitor for the existing flat panel ... -
Fluorescence-detected Multidimensional Electronic Spectroscopy (fMES) with a Visible White-light Continuum: New Experimental Approaches and Vibronic Exciton Models
Multidimensional Electronic Spectroscopy (MDES) represents the state-of-the-art optical spectroscopy method within the umbrella of time-resolved four-wavemixing techniques. MDES works by resolving the femtosecond quantum ... -
From collective relaxation phenomena to phase separation in binary mixtures and some contributions to the hydration dynamics in the vicinity of biologically active molecules
The thesis presents detailed results of theoretical analyses based on extensive computer simulation studies with an aim to explore, quantify whenever possible, and understand the collective excitations, relaxation processes ... -
From Multidimensional non-Markovian Rate Theory to Diffusion-Entropy Scaling and Investigations into the validity of Hydrodynamic Stokes Law
Multidimensional rate theory provides a theoretical framework for understanding chemical reactions that occur in systems with more than one reaction coordinate, such as isomerization reactions, protein folding, or electron ... -
Gas Phase And Electrocatalytic Reaction Over Pt, Pd Ions Substituted CeO2, TiO2 Catalysts and Electronic Interaction Between Noble Metal Ions And The Reducible Oxide
(2010-06-02)Among the various heterogeneous catalytic reactions three way catalysis (TWC), catalytic combustion of hydrogen, water gas shift reaction (WGS) and preferential oxidation of CO (PROX) in the hydrogen rich stream are some ... -
Growth and Characterization of Single crystalline VO2 Heterostructures
Vanadium dioxide is a strongly correlated material with a temperature driven metal-to-insulator transition (MIT) near room temperature (~340 K). This electronic transition is accompanied by a structural transition from ... -
Growth Kinetics And Electronic Properties Of Semiconducting Nanocrystals In The Quantum Confined Regime
(2009-03-04)Properties of nanocrystals are extremely sensitive to their sizes when their sizes are smaller or of the order of the excitonic diameter due to the quantum confinement effect. The interest in this field has been concentrated ... -
Harvesting Solar Photon Using TiO2-CdS Nanostructured Semiconductor Assemblies
Abstract The present Thesis discusses various Titanium dioxide (TiO2) - Cadmium Sulfide (CdS) assemblies for efficient harvesting of the solar photon. Inorganic semiconductor nanocrystals such as CdS have attracted ...