Division of Chemical Sciences
Recent Submissions
-
Tuning Properties of Heterogeneous Catalysts using First Principles and Machine Learning
The surface-to-volume ratio plays a crucial role in determining the catalytic performance of heterogeneous catalysts by influencing surface energy, reactivity, and stability. This thesis systematically explores how tuning ... -
Non-linear Hall Effect in Two- and Three-dimensional Materials
Underpinned by the concept of Berry curvature in band theory, the family of classical and quantized Hall effects are conventionally observed in the linear response regime. A measurable Hall response requires the time-reversal ... -
Nitrite Releasing Molecules: Synthesis, Mechanism and Potential Application as Prodrugs for the Improvement of Nitric Oxide Bioavailability
The thesis titled “Nitrite Releasing Molecules: Synthesis, Mechanism and Potential Application as Prodrugs for the Improvement of Nitric Oxide Bioavailability“ aimed at the development of strategies for the improvement of ... -
Regioselective Di- and Tri-Fluoromethylative Difunctionalization of Olefinic Bonds Driven by Homolysis, Ionic and Single Electron Transfer Mechanisms
The transition metal free and additive free difunctionalization of carbon-carbon olefinic bonds through di-and tri-fluoromethylation serve as a potent method for simultaneously introducing two functional groups across ... -
Tuning Cellular Uptake of Small Molecules in Mammalian Cells by Substitution with Halogen and Chalcogen Atoms
Efficient cellular delivery of bioactive molecules is essential for the discovery and development of novel drugs. However, targeting intracellular proteins in the cytosol and other cellular components using small molecules ... -
Turning an Antioxidant into a Prooxidant: Light-induced Mitochondrial Apoptosis in Mammalian Cells by an Ergothioneine-based Neutral Small Molecule
Mitochondria-targeted compounds gained significant interest due to their applications in fundamental research, diagnostics, and therapeutics. In this work, we present a detailed investigation of the ergothioneine-based ... -
NanoPhotoCatalysis: A New Dimension in Synthetic Chemistry
Photocatalysis has emerged as a powerful tool in recent years to drive chemical transformations via electron/energy transfer, allowing access to several unstable or high energy intermediates. Thus, the design and ... -
Single Molecular Break Junctions: Insights into Charge Transport and Chemical Reactivity
Molecular electronics leverages the unique quantum transport properties of single molecules or molecular assemblies to create nanoscale components with tailored functionalities. Constructing a detailed knowledge base of ... -
A Simple Scalable Route for the Production of Magnetic Nanomaterials and their Application in Wastewater Remediation
Superparamagnetic Iron Oxide Nanoparticles (SPIONs) have found extensive applications in diverse fields that include biomedicine, water remediation, and drug delivery. These applications require the development of synthetic ... -
Bistable Magnetic Materials Based on Spin State Switching and Single Molecule Magnets
Molecular Magnets have intrigued researchers because they can enhance the data storage density, act as molecular switches and sensors, and have prospects in spintronics and quantum computing. They encompass various systems, ... -
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 ... -
Unravelling Delayed Luminescence Characteristics of Aminoboranes and Borylaniline: Fundamentals and Applications
The advancement of organic delayed luminescence (thermally activated delayed fluorescence (TADF) and room-temperature phosphorescence (RTP)) materials holds significant promise for applications in optoelectronics, bioimaging, ... -
Electrode Design and Interface Engineering for Boosting Electrochemical Performance of Aqueous Zinc-based Batteries
Aqueous zinc-based batteries (AZBs) have emerged as promising next-generation energy storage systems due to the abundance of zinc, which expectedly should lower the battery cost. Additionally, Zn-based batteries will be ... -
Synthesis and Characterization of Cobalt-NHC Complexes: Application in Regioselective Hydroboration of Unsaturated Compounds
Boronic acid(esters) have been recognized as an indispensable coupling partner in several cross-coupling reactions, producing a vast spectrum of molecules applicable in diverse fields, from medicinal to materials sciences.[1] ... -
Oxygen Reduction Reaction on Copper Oxide Electrodes Doped with First-Row Transition Metals
The oxygen reduction reaction (ORR) is critical in electrochemical applications such as fuel cells, metal-air batteries, and industrial processes like chlor-alkali and H2O2 synthesis. Its universality lies in the fact that ... -
Host-Guest Chemistry of Water-Soluble Coordination Cages and their Applications
Host-guest interactions are key to enzyme-substrate recognition, where the enzyme acts as a host, providing a specific cavity for the guest to bind. Inspired by host-guest interactions observed in nature, a significant ... -
Design and Development of Hybrid Catalyst for Hydrogen Storage: A Demonstrative Concept using Liquid Organic Hydrogen Carriers (LOHCs)
The urgent need to address CO2 emissions resulting from the industrial revolution has placed a strong emphasis on the reduction of greenhouse gases. As a result, hydrogen has gained significant attention as a sustainable ... -
Itaconate Based Dual-reactive Polymeric Coatings and Photo-cross-stitching Studies of Periodically Grafted Amphiphilic Systems
Dual-reactive coatings are those that covalently anchor to the substrate while at the same time permit installation of desired segments in a post-coating step; several approaches have been developed to design such polymers ... -
Iridium-Catalyzed Regio- and Enantioselective Alkylation of Unsaturated Carbonyls
This thesis, entitled “Iridium-Catalyzed Regio- and Enantioselective Alkylation of Unsaturated Carbonyls” primarily deals with the development of various catalytic regio-, diastereo- and enantioselective allylic and allenylic ... -
Rapid Scan White Light Two-Dimensional Electronic Spectroscopy on Artificial Light Harvesting Nanotubes
Relaxation of electronically excited states across various systems, ranging from biological proteins to emerging energy materials, carries fundamental importance because it dictates the eventual fate of photoexcitations. ...
RSS 1.0