Solid State and Structural Chemistry Unit (SSCU)
Recent Submissions
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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 ... -
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 ... -
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 ... -
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 ... -
Synthesis Optimization of LiNi0.5 Mn1.5 O4 for Long Cycle Life Li4Ti5O12/LiNi0.5Mn1.5O4
Li-ion batteries (LIBs) have revolutionized the market of portable consumer electronics due to their high energy density (200 – 250 Wh Kg-1). However, most Li-ion chemistries employ expensive cobalt-based cathode active ... -
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 ... -
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 ... -
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 ... -
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 ... -
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 ... -
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 ... -
Transition in the Conformational Ensemble of Intrinsically Disordered Proteins: Implications for Phase Separation and Aggregation
Intrinsically disordered proteins (IDPs) are enriched with charged and polar residues and lack a unique three-dimensional structure. Due to the high fraction of charged residues, IDPs are disordered and dynamic, transitioning ... -
Synthesis, Structure, White-light Emission, Sensing and Catalytic Studies on Metal-organic Framework (Mof) Compounds
Metal Organic Framework (MOF) compounds are now recognized as a distinctive area of research in the fields of chemistry, materials, and other related sciences. The MOF compounds offer many potential applications towards ... -
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 ... -
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 ... -
Synthesis and Modulation-Doping of VO2 (001) Epitaxial Thin Film Heterostructures
Correlated electron materials (CEMs) host a rich variety of condensed matter phases. Vanadium dioxide (VO2) is a prototypical CEM that undergoes a temperature-driven metal-to-insulator transition (MIT) at ~340 K accompanied ... -
Molecular Approaches and Structural Insights into Correlated Triplet Pair Dynamics in Intramolecular Singlet Fission
Singlet Fission (SF) is a bichromophoric process whereby a singlet exciton is converted to two triplet excitons through an overall spin-conserved process. The last decade has seen an upsurge in SF research driven by its ... -
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 ... -
Structural and Electrochemical Investigations of Monovalent and Divalent Aqueous Rechargeable Batteries
Several stringent laws and regulations have been enforced by various National/International agencies for the adoption of sustainable methods for energy production and usage. In recent times, electric grids based on alternative ...
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