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Exploration of exfoliation, functionalization and properties of MXenes via first-principles and machine learning
The monolayers of early transition metal carbides and carbonitrides named MXenes are exfoliated from the corresponding bulk MAX phases (Mn+1AXn, M = early transition metal, A = group IIIA or IVA element and X = carbon ...
Methylammonium Lead Iodide thin lms grown by Pulsed Laser Deposition for Photodetector Applications
This thesis studies the fabrication and characterization of Methylammonium Lead Iodide perovskite thin films for photodetector applications. Unlike, any other perovskite halide material, Methylammonium Lead Iodide perovskite ...
Carbon aerogel supported first-row transition metal catalysts for methanolyis of ammonia borane
Ni-Ni3B, Co-B, and Co-Ni-B nanocomposites decorated on carbon aerogel were successfully synthesized by adopting the solution impregnation method. The nanocomposites were characterized by powder XRD, transmission electron ...
Vibrational Spectroscopic studies of Dynamics of BSA unfolding, Lysozyme-Ethanol interaction and Tissue Imaging
Vibrational spectroscopy has served as a powerful tool for understanding various structural properties of the molecules since decades. In the recent years, it has also emerged as an invaluable tool in understanding various ...
Investigating the Role of Domain Swapping in Aggregation of Globular Proteins
The broad objective of this thesis involves computationally modeling protein aggregation with special emphasis on the role of cosolvents and misfolded states. Chapter 1 contrasts the effect of biologically relevant co-solvents ...
Syntheses and Structure Elucidations of Co-crystal with Nicotinamide Co-former
Abstract :
Co-crystals consist of two or more components that form a unique crystalline structure having unique properties. The components interact via non-covalent, ionic interaction, van der Waals interactions and π-π ...
Organic Transformations in the Confined Cavity of Self-Assembled Pd(II) Molecular Containers
Biological systems utilize its extraordinary ability to develop complex and functional molecular
assemblies employing reversible non-covalent interactions. These natural aesthetic examples
motivated synthetic chemists ...
Transport, Relaxation and Line shape in Quantum Dissipative Systems with Applications to Photosynthesis and Conjugated Polymers
The thesis entitled as “Transport, Relaxation and Line shape in Quantum Dissipative Systems with Applications to Photosynthesis and Conjugated Polymers” has been divided into five major parts and ten chapters.
In Part ...
Properties and Applications of Metal Cholate Hydrogels
This thesis presents a detailed study on the unusual properties of silver cholate,
applications of lanthanide cholate gels, enhanced luminescence of lanthanides by water, and
the mechanism of formation of these gels. ...
Structure, Thermodynamics and Dynamics in Complex Systems: From Stability of Biomolecules to Phase Transitions in Polymorphic Ice
This thesis deals with the understanding of the structure, dynamics and thermodynamics in complex systems (proteins, hydration layers, DNA, ice polymorphs) by employing computer simulations, theoretical analysis, and in ...