Browsing Solid State and Structural Chemistry Unit (SSCU) by Title
Now showing items 144-163 of 300
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Microscopic Investigations of Dynamics of Linear Diatomics and Ions in Water and Aqueous Binary Mixtures
This thesis explores the structural and dynamical aspects of small, charged and neutral, solute molecules in both pure water and in aqueous binary mixtures, with emphasis on water-ethanol binary mixture. We employ both ... -
Microwave synthesis and consolidation of advanced ceramics and ceramic composites
Abstract not available -
Minerals to Functional Materials: Comprehensive Evaluation of Vanthoffites and Related Materials towards Futuristic Multifunctional Applications
The thesis provides a systematic investigation of materials derived from different mineral species such as vanthoffite and related minerals structures. Search of new multifunctional materials continues to be a challenge ... -
Modeling Electronic Properties Of Strongly Correlated Conjugated Molecular Systems
(2015-08-17)Organic conjugated systems are attractive because of wide range of applications, which includes stimulated emission from -conjugated polymers, optical switches, organic solar cells and organic light emitting diodes, to ... -
Modeling Magnetic Anisotropy in Single Chain Magnets
This thesis embodies work on modeling magnetic anisotropy in molecular magnets. Understanding the factors that govern the magnitude of anisotropy in these materials is crucial for tailoring molecules that can be used in ... -
Molecular Approaches and Structural Insights into Correlated Triplet Pair Dynamics in Intramolecular Singlet Fission
Singlet Fission (SF) is a bichromophoric process whereby a singlet exciton is converted to two triplet excitons through an overall spin-conserved process. The last decade has seen an upsurge in SF research driven by its ... -
Molecular dynamics of the sorption and diffusion behaviour of spherical sorbates in the confined region of zeolites Y and A
The sorbate–zeolite RDFs and sorbate–zeolite energy distribution functions suggest that the sorbates are largely localized inside the cages at the lowest temperature (188 K) studied. At low temperature, the sorbate prefers ... -
Molecular Dynamics Studies of Diffusion in Confined Regions
Diffusion of guest molecules under confinement of zeolites shows many interesting properties due to guest-host interactions. This thesis explores some of these interesting behaviours relating to the diffusion of guest ... -
Molecular Simulations Of Temperature Induced Disorder And Pressure Induced Ordering In Organic Molecular Crystals
(2007-09-05)Crystallographically solids with well defined crystal structures are normally assumed to be highly ordered. However, it is not uncommon to find considerable degree of disorder amongst many of these crystalline substances. ... -
Nanocrystals and nanocrystalline films of metal oxides and related materials
Certain observations and conclusions regarding the investigations presented in Chapters 5 to 9 are described here. The analysis is in relation to the ‘SCOPE OF THE WORK’ indicated in Chapter 1. The present work is mainly ... -
New Anions In The Assembly Of The Open-Framework Compounds : Synthesis, Structure And Properties
(2013-02-18)Open-framework inorganic materials constitute an important area of study in materials chemistry, because of their potential applications in areas such as sorption and catalysis. After the discovery of nanoporous aluminium ... -
New NMR Methods with high resolution and sensitivity for rapid data analysis
work is focused on: (i) Development of new fast and sensitivity enhanced NMR methods in solution state and their application to metabolomics and (ii) development of novel NMR methods in solution state for the rapid resonance ... -
NMR based Studies and Applications of Molecular Interactions : From Small Moleculecules to Bio-nanoconjugates
(2018-06-13)The work described in this thesis involves the study of weak interactions by NMR spectroscopy and using them to develop novel applications. The two different applications chosen are i) using molecular interactions for ... -
Noble Metal And Base Metal Ion Substituted Ceo2 And Tio2 : Efficient Catalysts For Nox Abatement
(2009-08-07)In recent times, as regulations and legislations for exhaust treatment have become more stringent, a major concern in the arena of environmental catalysis is to find new efficient and economical exhaust treatment catalysts. ... -
Non-linear Hall Effect in Two- and Three-dimensional Materials
Underpinned by the concept of Berry curvature in band theory, the family of classical and quantized Hall effects are conventionally observed in the linear response regime. A measurable Hall response requires the time-reversal ... -
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 ... -
Novel electronic structures in transition metal oxides
In this chapter, we investigate the detailed electronic structure of Ca1?xSrxVO3\text{Ca}_{1-x}\text{Sr}_x\text{VO}_3Ca1?xSrxVO3, with x=0.0,0.2,0.7,x = 0.0, 0.2, 0.7,x=0.0,0.2,0.7, and 1.01.01.0, by means of various ... -
Novel layered & three-dimensional oxides of perovskite & related structures: synthesis & investigation of ion-exchange & intercalation
In this chapter, we have described the synthesis of a new series of protonated layered perovskites of the formula, HCa???La?Nb???Ti?O??, from the corresponding potassium compounds by ion-exchange. The protonated compounds ...