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Studies on Layered Ternary Metal Chalcogenides: Electronic devices, Sensors and Electrocatalysis
Atomically thin two-dimensional (2D) materials have gained tremendous interest since the discovery of graphene in 2004 due to their unique physical and chemical properties. They have been used in various research fields ...
Rational Design of Efficient Catalysts using First-Principles and Machine Learning
Rising concerns about the impending energy crisis and environmental impact have garnered tremendous research interest in developing catalysts for sustainable fuel production and pollution abatement. However, the traditional ...
Computational Studies of Hydrophobic Force Law, Dynamics in Model Asymmetric Binary Mixtures, and Contribution to One and Two Dimensional Infrared Spectroscopy
Depending on the system and phenomena of interest, the thesis has been partitioned into three major
parts. The first part is on the theoretical infrared spectroscopic studies and vibrational phase relaxation of
supercritical ...