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Electrical and Opto-Electronic Devices Based on SnSe2 Thin Films
SnSe2 is a semiconductor with unique and interesting properties such as band gap with layer thickness dependence. Theoretically, it has been predicted that the band gap can be varied between 1.2 and 2.04 eV. This range of ...
Design, Synthesis and Optical Characterization of Thiophene Based Luminophore
We successfully designed and synthesized a series of thiophene based luminophores. We were able to modulate the optical band gap of these luminophores by systematically fine-tuning the chemical structure of these compounds. ...
Modeling Magnetic Anisotropy in Single Chain Magnets
This thesis embodies work on modeling magnetic anisotropy in molecular magnets. Understanding the factors that govern the magnitude of anisotropy in these materials is crucial for tailoring molecules that can be used in ...
Nonequilibrium dynamics and thermodynamics of some single-particle activity-induced diffusive systems
In the mesoscopic world, diffusion is a ubiquitous process and it is usually explained by the
Einstein’s theory of Brownian motion (BM). However, in the biological systems, some peculiar
dynamical behaviors are observed ...
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 ...