Browsing Solid State and Structural Chemistry Unit (SSCU) by thesis submitted date"2024"
Now showing items 1-19 of 19
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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, ... -
Crafting Complexity: Characterization and Tuning of Non-Hermitian Topological Phases
Quantum mechanics relies on self-adjoint or Hermitian operators, ensuring real eigenenergies and preserving probability via a unitary time evolution [1]. However, this applies strictly to closed systems. In open systems, ... -
Dissipative Mechanisms in Organic Light-emitting Diodes: Role of Intramolecular Charge Transfer and Delayed Fluorescence
Organic light-emitting diodes (OLEDs) are emerging to replace conventional lighting technology due to their flexible device structures, multicolour emission, and ease of fabrication. However, one of the key challenges in ... -
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 ... -
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 ... -
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 ... -
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 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 ... -
Investigation of Graphene Reinforced Polymer Composite Materials for Electromagnetic Interference Shielding Applications
We have seen a sharp increase in the development of innovative electronic gadgets and a subsequent drive towards the miniaturization of electronic interfaces. Electromagnetic interference (EMI), which adversely affects the ... -
Investigation of Rare-Earth Ions Activated NaLa(MoO4)2 Phosphors for LEDs and Temperature Sensing Applications
Luminescent materials, commonly referred to as 'phosphors,' have gathered significant scientific interest due to their diverse applications in areas such as lighting, solar cells, sensors, and biomedical imaging. Phosphors ... -
On the Origin of Parasitic (Electro)Chemistry in Rechargeable Aprotic Metal-Oxygen Batteries
Aprotic metal-oxygen batteries, especially Li-O2 and Na-O2 batteries, could afford theoretical specific energies in excess of 1000 Wh/kg. However, the practical realization of the theoretically possible high specific ... -
Optical and Structural Studies of Nanocrystal Assemblies
In my thesis I have delved into studying nanoparticle assemblies that can be applied to different types of applications. For example, certain types of nanoparticles can be utilized as quantum light sources or a different ... -
Optimizing Light Absorption and Nanomorphology in Organic Solar Cells and Near-IR Photodetectors with Ternary Blend Approaches
Solution-processed Organic Solar cells (OSCs) are a promising renewable energy solution due to their solution-processable roll-to-roll fabrication, semitransparency, lightweight, and flexibility. Significant efforts have ... -
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. ... -
Switchable Magnetic Materials Derived from Octacyanometallates
Molecule-based magnetic materials encompass an advancing class of bistable materials that have garnered significant attention due to their intriguing physical properties and potential practical applications. These materials ... -
Synthesis and Physicochemical Characterizations of 3d Transition Metal Based Anisotropic Complexes: A Building Block Approach for Designing Multifunctional Materials
Molecule-based magnetic materials have been a popular choice in recent times, to generate multifunctional materials1. An inherent property in such systems is molecular bistability which enables a system to interchange ... -
Synthesis, Structure, and Properties of Compounds Derived from Mineral Structures
The development of solid-state chemistry is the result of many studies on compounds belonging to structures such as perovskite, pyrochlore, spinel etc. There is a large family of compounds that belong to naturally occurring ... -
Theoretical Studies of Dynamics in Complex Systems: Liquids, Polymer Dimerization and Non-Equilibrium FRET
The thesis presents theoretical and computer simulation studies of dynamics in several complex systems, namely, electrolyte solutions, aqueous binary mixtures, nanoconfined binary mixtures, polymer dimerization, and ... -
Theoretical Studies on Dynamics in Complex Systems: Binary Mixtures, Electrolyte Solutions, Nanoconfined Water, Glass Transition Phenomena, and Boltzmann’s H-function
The thesis reports theoretical and computer simulation studies of the structure and dynamics in several complex systems, namely, aqueous binary mixtures, electrolyte solutions, nanoconfined water, and glass-forming liquids ...