Division of Chemical Sciences: Recent submissions
Now showing items 261-280 of 936
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Local Structural Investigations of Composition-driven Changes in Inorganic Solid Solutions
A smaller sized dopant replacing a larger sized element in a compound creates chemical pressure, resulting in a contraction of the lattice parameter and likewise a “negative” pressure is created by substitution of larger ... -
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 ... -
Addressing the Challenges in Designing of Efficient Thermoelectric Materials
Thermoelectric materials offer applications in conversion of waste heat to useful electrical energy and are promising sources of renewable energy. To use a material efficiently in thermoelectric application it is necessary ... -
Transition metal phosphide nanostructures encapsulated in N,P co doped nanotubes for water splitting in wide pH range
In order to make clean and sustainable energy conversion, systems primarily requires the development of highly efficient and robust catalysts. One of the main challenges for designing the catalysts is to minimize the cost ... -
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 ... -
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 ... -
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 ... -
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 ... -
Stereocontrol through Catalytic Enantioselective C(sp2)−H and C(sp3)−H Alkylation: From Bifunctional Organocatalysis to Iridium-Catalysis
This thesis, entitled “Stereocontrol through Catalytic Enantioselective C(sp2)−H and C(sp3)−H Alkylation: From Bifunctional Organocatalysis to Iridium-Catalysis” primarily deals with the development of various catalytic ... -
Vanadium Dioxide: Bulk and Thin Films for Device Applications
In the present era, energy consumption is more than the energy that is generated for which renewable as well as non-renewable sources are used. In order overcome this lag, researchers are developing smart materials ... -
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 ... -
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 ... -
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 ... -
Rotational Spectroscopic and Computational Studies on Inter/Intramolecular Bonding
The importance of non-covalent interactions cannot be undermined, as it permeates nearly every sphere of chemistry. The hydrogen bond is the most well-known and ubiquitous non-covalent interaction. In recent times similar ... -
Self-assembled Coordination Architectures & Donor- Acceptor Systems: Synthesis, Characterization and Applications
Self-assembled Coordination Architectures & Donor-Acceptor Systems: Synthesis, Characterization and Applications Atul Kumar The extraordinary ability of biological systems to develop complex and functional molecular ... -
Accelerated search for thermoelectric and topological materials using first-principles and machine learning
In summary, we have performed first-principles calculations to study the topological phase transitions in chalcopyrite compounds as a function of hydrostatic pressure. These compounds are topological insulators in the ... -
Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems
The thesis is entitled as "Development of Novel NMR Methodology and Investigation of Challenging Chemical Problems ". The research work reported in this thesis is mainly carried out in two directions. The initial focus ... -
Mechanistic Understanding of Organic Solar Cells: A Detailed Investigation on Role of Förster Resonance Energy Transfer, Dielectric Constant and Exciton Dynamics
Organic solar cells (OSC) have been emerging as promising energy harvesting technology because of their low-cost fabrication, semitransparency, solution processability and ability to be produced in large scale using ...