Browsing Solid State and Structural Chemistry Unit (SSCU) by Title
Now showing items 155-174 of 224
-
Structure And Dynamics Of Constrained Water : Microscopic Study Of Macromolecular Hydration Using Computer Simulations
(2010-06-04)The thesis, which contains nine chapters, reports extensive large scale atomistic molecular dynamics (MD) simulation studies of water structure and dynamics at the surface of an anionic micelle, hydration layer of two ... -
Structure and Dynamics of Macromolecular Solvation in Aqueous Binary Mixtures : From Polymers to Proteins
(2018-07-20)The thesis presents detailed results of theoretical analyses based on extensive computer simulation studies with an aim to explore, quantify whenever possible, and understand structure and dynamics of polymers and proteins ... -
Structure, Dynamics and Optical Properties of Organic-Inorganic Hybrid Perovskites
Organic-inorganic hybrid perovskites have emerged as promising photovoltaic materials in the last few years, with the possibility of easy, solution synthesis. In this thesis, we have investigated some intrinsic material ... -
Structure, Organization And Phase Transitions In Anchored Alkyl Chain Bilayers In Layered Organic-Inorganic Hybrids
(2009-04-09)This thesis deals with the conformation and phase-transitions in anchored alkyl chain bilayer assemblies in organic-inorganic hybrids. The alkyl chain bilayers in organic-inorganic hybrids bear a striking resemblances to ... -
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 ... -
Structure-Function Control in Organic Co-Crystals/Salts Via Studies on Polymorphism, Phase Transitions and Stoichiometric Variants
(2018-06-19)The thesis entitled “Structure-function control in organic co-crystals/salts via studies on polymorphism, phase transitions and stoichiometric variants” consists of five chapters. The main emphasis of the thesis is on ... -
Studies On Advanced Lead-Acid Batteries
(2011-09-30)Subsequent to the studies on precursor lead-acid systems by Daniel, Grove and Sindesten, practical lead-acid batteries began with the research and inventions of Raymond Gaston Planté in France as early as in 1859, and, ... -
Studies on Alkaline Iron Electrodes for Nickel-Iron Accumulators
A battery is a companion whose interests are world-wide and whose society has never-ending interests. Batteries have applications in cars to space and there is ever growing addiction to batteries. A battery consists of two ... -
Studies on Correlation between Microstructures and Electronic Properties of Organic Semiconductors
(2018-07-05)The work carried out in this thesis systematically investigates the correlation between microstructures and electronic properties of organic semiconductors. The major directions that were pursued in this thesis are: (i) ... -
Studies On Direct Methanol And Direct Borohydride Fuel Cells
(2009-03-09)A fuel cell is an electrochemical power source with advantages of both the combustion engine and the battery. Like a combustion engine, a fuel cell will run as long as it is provided fuel; and like a battery, fuel cells ... -
Studies On Electrode Materials For Lithium-Ion Batteries
(2007-11-16)In the early 1970s, research carried out on rechargeable lithium batteries at the Exxon Laboratories in the US established that lithium ions can be intercalated electrochemically into certain layered transition-metal ... -
Studies on Frustrated Spin Chains and Quasi-One-Dimensional Conjugated Carbon Systems
(2018-01-28)In this thesis, we investigate the entanglement and magnetic properties of frustrated spin systems and correlated electronic properties of conjugated carbon systems. In chapter 1, we present different approaches to solve ... -
Studies on Nanostructured Transition Metal Oxides and Related Composites for Supercapacitor Electrodes
Supercapacitors have acquired considerable scientific and technological position in energy storage field owing to their compelling power capability, good energy density, excellent cycling stability and ideal safety. ... -
Studies On Nanostructured Transition Metal Oxides For Lithium-ion Batteries And Supercapacitoris
(2011-01-21)Rechargeable Li-ion batteries and supercapacitors are the most promising electrochemical energy storage devices in terms of energy density and power density, respectively. Recently, nanostructured materials have gained ... -
Studies On Polymer Hydrogel Electrolytes For Application In Electrochemical Capacitors And Direct Borohydride Fuel Cells
(2010-07-26)In recent years, electrochemical capacitors have emerged as devices with the potential to enable major advances in electrical energy storage. Electrochemical capacitors (ECs) are akin to conventional capacitors but employ ... -
Studies on Quinoidal Diketopyrrolopyrrole Derivatives and their Applications
Quinoidal π-conjugated molecules have endowed significant attention over the years especially due to inherent high electron affinity and amphiprotic redox behavior, establishing their application as versatile active material ... -
Studies on Soluble Lead Redox Flow Battery
Redox flow batteries (RFBs) offer an opportunity to make renewable energy storage more affordable and could accelerate prospects for utility-scale development of solar/wind energy storage. RFBs can be almost instantly ... -
Studies on switching of J and H aggregates in Donor-Acceptor molecular materials
The aggregation of molecular materials plays a central role in determining their functional properties. In the aggregated state, conjugated chromophores may exhibit enhanced emission, in comparison to their dilute ...