Browsing Division of Chemical Sciences by thesis submitted date"2023"
Now showing items 1-20 of 43
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Atto-second Dynamics in Molecular Systems
The thesis describes the attosecond dynamics of small molecular systems, focusing on ionization delay times and hole migration delay times. These time delays are some of the fastest events in electronic dynamics. When an ... -
Binding, activation, and oxidative addition of dihydrogen using Ir-pincer systems and implications in hydrogenation catalysis
Binding of unreactive small molecules, such as H2, N2, CO2, CH4, etc. on a transition metal center and their subsequent activation are fundamental problems that have been extensively studied in organometallic chemistry for ... -
Chemistry of bimetallic, chalcogenide and highly reactive metal nanoparticles
The remarkable modifications in the characteristics of materials on a nanoscale, caused by surface effects, quantum confinement, and dependence on shape, leads to diverse applications of nanomaterials, such as in catalysis, ... -
Computational Modeling of two Dimensional Heterostructures for Optoelectronic and Catalytic Applications
Two-dimensional van der Waals (2D-vdW) materials have attracted significant attention for their unique and excellent properties. The properties of the 2D-vdW materials can be precisely engineered using various techniques ... -
Cp2Ti(III)Cl-Mediated Endo- and Exo-Radical Cyclization: Synthesis of a Tri-nor-guaiane Sesquiterpene Isoclavukerin A, Terpenoid Bicyclic Lactones and Synthetic Studies Towards the Total Synthesis of Scabrolide A
Radical cyclization strategy always gives an expedient access to complex molecular scaffolds present in many bioactive natural products. In this research work, a systematic study is undertaken to investigate the less ... -
Electron Microscopy Investigations of Surface-modulated Nanomaterials for Electrocatalytic Applications
With advancement and increasing usage of technologies, the demand for energy is also growing. However, the limited and ever-depleting stock of natural gas and fossil fuels has necessitated for better solutions in energy ... -
Engineering Dielectric Properties of Nanomaterials
Metallic nanostructures can exhibit plasmonic modes due to coherent oscillations of the free electrons under electromagnetic excitations. Therefore, they find diverse applications in optical sensing, photonics, and ... -
Engineering of Nanomaterials: Application in Antibacterial Activity, Bio-Analyte Detection and Environmental Remediation
Infectious diseases caused by pathogenic bacteria are creating a global health problem. In the recent report of World Health Organization (WHO), it has been mentioned that around 7 lacks people are dying each year worldwide ... -
Expanding the Possibilities of Multifunctional Gelatin Methacrylol Bioinks for 3D Bioprinting of Complex Biomimetic Tissue Constructs
Tissue engineering, or the construction of complex tissue-like structures for injured tissue replacement and regeneration, has been a subject of investigation over the last thirty years. In the last decade, there has been ... -
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 ... -
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 ... -
Functionalized Nanomaterial and Metallocycle for Selective Antibacterial, Diagnosis, and Anti-cancer Activity
The evolution of drug resistant bacteria has become a severe threat to public health globally. The misuse of conventional antibiotics has led to the development of multi-drug resistant bacteria. Even though antibiotics ... -
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 ... -
Harnessing Strained Systems: Arynes, Donor Acceptor Cyclopropanes, and Bicyclobutanes in Annulations, Multicomponent Couplings and Insertion Reactions
More than a century ago, the discovery of aryne intermediates proved to be a valuable addition to the toolkit of organic chemists, enabling the synthesis of a diverse range of molecules using these electrophilic ... -
Interfacial Studies Using Organized Organic and Inorganic Films
Interfaces play an important role in various fields, such as catalysis, charge transfer / electrochemical processes, chemical reactions, molecular electronics, wetting, and biology. Building functional structures with a ... -
Investigation of machine learning and deep learning methodologies for applications in biomechanics, additive manufacturing, and microstructure fingerprinting: A Biomaterialomics approach
Traditional approaches to developing biomaterials and implants require intuitive tuning of process variables, long innovation cycle, and high costs. Accelerating the production of personalized, implantable biomaterials and ... -
Lanthanide-derived Photoluminescent Hydrogels for Analytical Screening of Norfloxacin, Ofloxacin, α-Chymotrypsin, and Gossypol
Supramolecular gels are soft substances made of elastic cross-linked three-dimensional network connected by noncovalent interactions such as hydrogen bonds, hydrophobic interactions, donor-acceptor interactions, π- π ... -
Machine learning and density functional theory assisted insights into the mechanical and oxidation properties of nickel-based superalloys
Due to global warming and increasing fuel costs, there is a constant thrust toward increasing fuel efficiency and reducing the emissions of gas-turbine engines, which are made out of superalloys. New superalloy materials, ... -
Mechanistic Insights into the Chemical and Electronic Doping for Advanced Optoelectronic, Catalytic, and Quantum Applications
Doping via the incorporation of ionizable entities within solid-state materials represents a promising strategy for the generation of mobile or localized charge carriers. Conventionally, doping has been perceived as an ... -
Metal-Organic Framework (MOF) Compounds: Synthesis, Structure and Catalytic Studies
The metal-organic framework (MOF) compounds exhibit interesting developments in coordination chemistry, materials science and other branches of chemistry. These compounds have potential applications in diverse fields ...