Browsing Division of Chemical Sciences by Title
Now showing items 368-387 of 1480
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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 ... -
Extending Aryne Chemistry: Application to Insertion Reactions, Multicomponent Couplings, Molecular Rearrangements and Arylation Reactions
Arynes are highly reactive electrophilic intermediates, which can be utilized in various carbon-carbon bond-forming reactions including pericyclic reactions, insertion reactions, multicomponent couplings (MCCs), molecular ... -
Extensions of mode coupling theory to study diffusion and viscosity and applications to chemical dynamics
In this chapter, the existing mode coupling theory [14] has been extended to calculate the diffusion of a tagged molecule and to study the dynamics of a neat liquid. It has been shown that in the earlier theory the definition ... -
Fabrication, micro-computed tomography based quantitative 3D microstructure evaluation of 3D printed bioceramic scaffolds and FE modelling of biomedical implant prototypes
In summary, this thesis provides the following outcomes: a) Formulation of novel powder-binder combination for 3D powder printing of resorbable bone-tissue scaffold. b) The effect of post-processing approach on the macro ... -
Facile routes to substituted DI-and triformylbenzenes (part-I). synthesis of pterosin M and Onitin (part- II).
The thesis, dealing with two topics in two parts, is entitled "Facile Routes to Substituted Di- and Triformylbenzenes (Part I). Synthesis of Pterosin M and Onitin (Part II)". The first part, consisting of five chapters, ... -
Factors influencing the chemical shift a case study with a, a,-DI-tert butylthioaceric esters
The assignment of structures to two forms of ?,? di tert butylthioacetic esters, detected by NMR, is the subject matter of this thesis entitled “Factors Influencing the Chemical Shift - A Case Study with ?,? Di tert ... -
The fate of phase transitions in VO2 on doping
Ever since its discovery more than six decades ago, thermally-induced insulator-metal transition (IMT) in vanadium dioxide (VO2) has attracted much attention, not only because of its near-room temperature IMT at ~340 K, ... -
Ferroelectric Perovskite Superlattices By Pulsed Laser Ablation
(2010-03-18)Fabrication of artificially structured superlattices, when controlled on a nanoscale level, can exhibit enhanced dielectric properties over a wide temperature range. Possible fabrication of new functional devices based on ... -
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 ... -
A Few Probable Electrolyte and Electrode Design Strategies for Multivalent-Ion-Based Rechargeable Batteries
Lithium-ion batteries have transformed modern energy storage, but their limitations concerning the materials supply chain and safety risks highlight the need for alternative technologies. This PhD thesis explores multivalent ... -
First Hyperpolarizability (β) of Organic and Inorganic Compounds : Keto-Enol Tautomerism and Halogen Effect
(2018-05-09)The work presented in this thesis has broadly established a few findings about the structure¬hyperpolarizability relation in molecular compounds: First, by measuring βHRS of an organic keto-enol tautomer, benzoylacetanilide ... -
First order hyperpolarizability-structure relationships in donor-acceptor substituted ethylenes and 1,3-butadienes
he progress in photonic devices requires the development of novel materials exhibiting strong optical nonlinearities (at both the molecular and bulk levels). The overall objective of this work is to arrive at structure-property ... -
Fluid-rock interactions in the high-grade terrain of south India: a mineralogic and thermodynamic study
The formation of major rock types in the Kerala high-grade terrains, northern Tamil Nadu, and southern Karnataka Precambrian shield has been studied thermodynamically by focusing on: a) characterization of the fluid phase ... -
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 ...