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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 ...
Towards high quality V2O5 and VO2 thin films for gas sensing, smart windows and optoelectronic applications
The global demand for improved living standards coupled with rising pollutant or hazardous gases levels, safety and security demands have led to increased demand for miniaturized gas sensors and photodetectors. Production ...
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 ...
Synthetic Applications of C-2 Substituted Glucal
This report concerns the development of a synthetic approach towards synthesis of seven-membered septanosides, such as, substituted oxepanes from protected 2-hydroxyglycals. Important precursors to the synthesis of the ...
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 ...
Quest for New Chalcopyrite Semiconductors for Photodetector Applications
Photodetectors are widely used as image sensors, in optical communication, remote sensing etc. IR detectors find widespread applications in night vision cameras and medical diagnostics. In this thesis a new chalcopyrite ...
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 ...