Solid State and Structural Chemistry Unit (SSCU): Recent submissions
Now showing items 201-220 of 238
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Theoretical Studies Of Electronic Properties And Electronic Processes In Conjugated Molecules
(2011-07-08)This thesis deals with theoretical studies of electronic properties of organic conjugated molecules. The first chapter introduces different classes of organic conjugated molecules which possess high hole mobility, large ... -
Novel Synthesis Of Transition Metal And Nobel Metal Ion Substituted CeO2 And TiO2 Nanocrystallites For Hydrogen Generation And Electro-Chemical Applications
(2011-06-30)Ceria based materials have attracted a great deal of interest particularly in area of UV shielding, oxide ion conductivity, solid state electrolyte for fuel cells, automotive exhaust catalysis, water gas shift (WGS) reaction ... -
Computer Simulation Studies Of Phase Transition In Soft-Condensed Matter : Isotropic-Nematic, Gas-Liquid, And Polymer Collapse
(2011-03-16)The present thesis reports computer simulation studies of several phase transition related phenomena in a range of soft-condensed matter systems. A coherent unifying theme of the thesis is the understanding of dynamics of ... -
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 ... -
Investigation Of Transition Metal Oxides Of Perovskite, Pyrochlore And Rutile Structures Towards Realization Of Novel Materials
(2011-01-21)Materials chemistry is essentially concerned with the design/synthesis of new solids endowed with functional properties that could be of relevance to today’s materials technology. Among the large variety of solid materials ... -
Synthesis, Structure And Photocatalysis Of Orthovanadates, Novel Approaches For The Crystallization Of Anhydrous Nucleobases And Ab Initio Structure Determination Of A Drug Intermediate From Powder X-ray Diffraction Data
(2010-10-13)The thesis begins with a brief introduction and relevant literature references. The novelty of synthesis, methodology and results of the work reported in the thesis and highlighted subsequently. The thesis consist of three ... -
Theoretical Approaches For Modelling Molecular Magnetism
(2010-10-05)In this thesis we have developed electronic and spin model Hamiltonians to understand magnetism in molecule based magnets like photomagnets, high-nuclearity transition metal complexes and single molecule magnets. In ... -
Synthesis, Structure And Redox Catalytic Properties Of Pt And Pd Ion Substituted Ce1-xMxO2(M= Ti, Zr & Hf) Oxygen Storage Capacity Nano-materials
(2010-09-28)Three-way catalysis (TWC) involves simultaneous removal of the three pollutants (i.e., CO, NOx, and HCs) which led to the branch of auto-exhaust catalysis. CeO2 has become the main component of TWC catalyst because of its ... -
Investigations On Size Dependence Of Diffusivity In Condensed Media
(2010-08-24)Diffusion plays an important role in a number of processes like heterogeneous catalysis, corrosion, separation and purification of chemicals of industrial importance, steel hardening, fuel cells, and solid electrolytes for ... -
Spectral Simplification In Scalar And Dipolar Coupled Spins Using Multiple Quantum NMR : Developments Of Novel Methodologies
(2010-07-28)Spin selective MQ-SQ correlation has been demonstrated by either selective pulses in homo-nuclear spin systems in isotropic and weakly orienting chiral media or by nonselective pulses in hetero-nuclear spin systems in ... -
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 ... -
Investigation Of Electronic Structure Of Transition Metal Oxides Exhibiting Metal-insulator Transitions And Related Phenomena
(2010-07-26)Transition metal oxides have proven to be a fertile research area for condensed matter physicists due to the fascinating array of superconducting, magnetic and electronic properties they exhibit. A particular resurgence ... -
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 ... -
Doping And photophysical Properties Of II-VI Semiconductor Nanocrystals
(2010-06-03)Semiconductor nanocrystals with sizes comparable to the corresponding bulk excitonic diameter exhibit unique size-dependent electronic and optical properties resulting from quantum confinement effect. Such nanocrystals not ... -
Synthesis, Characterization, Properties And Growth Of Inorganic Nanomaterials
(2010-06-03)The thesis consists of eight chapters of which the first chapter presents a brief overview of inorganic nanostructures. Synthesis and magnetic properties of MnO and NiO nanocrystals are described in Chapter 2, with emphasis ...