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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 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 ...
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 ...
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 ...
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 ...
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 ...
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, ...
Computational Studies of Heavier Main Group Elements: Control of Lewis Acidity of Bi and Sb by Charge and Ligand Design, and Structural Variations of [Fe(CO)4]2E2 and E2CH2 Isomers (E = C–Pb)
Traditional main group compounds demonstrate Lewis acidity due to the presence of vacant p- orbitals. Hydrides of lighter main group elements, such as NH3, function as Lewis bases. However, introducing highly electronegative ...
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 ...