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Now showing items 71-80 of 142
Structure - Property Correlation in MA1-yFAyPbX3 (X = I, Br) Perovskites
Hybrid Organic-Inorganic Lead Halide Perovskites (HOIP) are represented by APbX3, where A is the methylammonium cation (MA: (CH3NH3)+) or the formamidinium cation (FA: (CH(NH2)2)+), X is halide anion. HOIP have emerged as ...
Oxidation of CO Catalysed by Nanometric Mono and Bi-Noble Metals on Various Oxide Supports
Air pollution results mainly from the injurious smoke emitted by cars, buses, trucks, factories etc. This smoke contains carbon monoxide, unburned hydrocarbons and oxides of nitrogen and sulphur. In case of cars, catalytic ...
Exploring Topological Phases of Matter using Density Functional Theory and Machine Learning Approaches
Topological phases of matter such as topological insulator (TI), quantum anomalous Hall insulator (QAHI), nodal line semimetal (NLSM), and triple point metal (TPM) can be realized by manipulating the spin-orbit coupling ...
Alluaudite Class of High-Voltage Cathodes for Sodium-Ion Battery Applications: A Synthesis, Structure, Property Correlation Study
The work presented in this thesis demonstrates
alluaudites as a niche class of compounds forming the
rich treasure house of sodium insertion hosts. The
potential of this open frame-worked alluaudites is
immense and ...
Design and Synthesis of Cyclic Diselenides and Selenenyl Sulfides for Biomimetic Applications
Hydrogen peroxide (H2O2) plays important roles in cell signaling and redox reactions. However,
elevated levels of H2O2 and organic peroxides induce oxidative stress, resulting in damage to
biomolecules such as DNA, ...
A Study of Dissipative Phenomena in Semiconductor Nanocrystals
Quantum dots (QDs) are semiconductor nanoparticles, where carriers are confined in regions smaller than a few tens of nanometers. The physics governing the behavior of these nano structures are fundamentally different from ...
From collective relaxation phenomena to phase separation in binary mixtures and some contributions to the hydration dynamics in the vicinity of biologically active molecules
The thesis presents detailed results of theoretical analyses based on extensive computer
simulation studies with an aim to explore, quantify whenever possible, and
understand the collective excitations, relaxation processes ...
Design of Novel Protocols for Chiral Analysis and Exploring Hydrogen Bond Directed Conformations
The research work reported in this thesis is focused on the chiral analysis and exploring hydrogen bonding. In chiral analysis, the study is aimed at the introduction of new versatile chiral solvating agents (CSA) and also ...
High-Resolution Charge Density Studies on Electronic Nature of Weak Interactions and Correlation of Molecular Conformation with Packing in Solid State
The thesis entitled “High-Resolution Charge Density Studies on Electronic Nature of
Weak Interactions and Correlation of Molecular Conformation with Packing in Solid
State” consist of five chapters. Chapter 1 is a brief ...
Protein Folding, Function and Aggregation Role of Co-solvents and Topological Frustration
Proteins are biological macromolecules formed by sequentially joining natural amino
acids through peptide bonds. The sequence of amino acids in a protein chain determines
its three dimensional structure under physiological ...