Browsing Division of Chemical Sciences by Subject "Research Subject Categories::NATURAL SCIENCES"
Now showing items 1-9 of 9
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Diversity and Structure-Property Correlation in Disordered Multicomponent Organic Crystal Forms
The search for new multifunctional materials continues unabated, and with the realization that in solids, the material property can be tailored using the variability provided by molecular and submolecular forces. Harnessing ... -
Ethylene Glycol in the Liquid State: Structure, Conformation and Dynamics - A Study Using Ab Initio Molecular Dynamics Simulations
Ethylene glycol (EG) is an important organic molecule with unique properties and a wide range of applications. The EG molecule shares a structural motif with many biomolecules and serves as a part of the training set for ... -
Low Power Resistive Photon- and Gas- Sensors
Sensors, be it for temperature, pressure, acoustic, light or gas to name a few have become an indispensable part of human life. Light sensors or photodetectors have widespread usage in modern portable electronics as camera ... -
Novel and Fundamental Studies of Separation Methods Leading to Very High Degree of Separation of Molecular Mixtures and Related Studies
Separation of molecular mixtures will often require in chemistry, biology, physics and material science. Existing methods of separation can at best yield a separation factor of 10^4 . They also incur huge expenditure of ... -
Photo-responsive Self-assembled Coordination Architectures and Their Applications
Development of nanomaterials that mimic enzyme-like catalytic activities (nanozymes) has drawn special attention in recent time. Nanozymes possess exclusive advantages over natural enzymes like high stability, large-scale ... -
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 ... -
Structure, Thermodynamics and Dynamics in Complex Systems: From Stability of Biomolecules to Phase Transitions in Polymorphic Ice
This thesis deals with the understanding of the structure, dynamics and thermodynamics in complex systems (proteins, hydration layers, DNA, ice polymorphs) by employing computer simulations, theoretical analysis, and in ... -
Synthesis and Functionalization of Carbon and Sulfur-based Nanomaterials: Physical Properties and Molecular Recognition
In recent years carbon-based nanomaterials are growing rapidly in the field of science and technology, due to the tunable optical and physical properties such as electronic arrangement, photostability, flexibility and ... -
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 ...