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Structural and Electrochemical Investigation of Fluoro(hydroxy)phosphate Based Cathode Materials for Secondary Batteries
Structural and electrochemical investigation of LiFePO4OH hydroxyphosphate material. The synthesis and structure of this material is explained. The hydrothermally synthesized material crystallizes in triclinic structure ...
Accelerated search for thermoelectric and topological materials using first-principles and machine learning
In summary, we have performed first-principles calculations to study the topological phase transitions
in chalcopyrite compounds as a function of hydrostatic pressure. These compounds are
topological insulators in the ...
Electrical and Opto-Electronic Devices Based on SnSe2 Thin Films
SnSe2 is a semiconductor with unique and interesting properties such as band gap with layer thickness dependence. Theoretically, it has been predicted that the band gap can be varied between 1.2 and 2.04 eV. This range of ...
Exploration of exfoliation, functionalization and properties of MXenes via first-principles and machine learning
The monolayers of early transition metal carbides and carbonitrides named MXenes are exfoliated from the corresponding bulk MAX phases (Mn+1AXn, M = early transition metal, A = group IIIA or IVA element and X = carbon ...
Methylammonium Lead Iodide thin lms grown by Pulsed Laser Deposition for Photodetector Applications
This thesis studies the fabrication and characterization of Methylammonium Lead Iodide perovskite thin films for photodetector applications. Unlike, any other perovskite halide material, Methylammonium Lead Iodide perovskite ...
Structural and magnetic properties of Al-doped yttrium iron aluminum garnet and optical properties of Mn, Sr, Fe-doped ZnO prepared by solution combustion method
The structural and magnetic properties of Al substituted yttrium-iron garnet (Y3AlxFe5-xO12, x = 0, 0.1, 0.2, 0.3, 0.4, 0.6, 0.8, 1.0, 1.2, 1.4, 1.6 and 1.8) ceramic powders synthesized using solution combustion method ...
Wide Band Gap Oxides as the Probes for Optical Based Sensing Applications
Temperature is a very critical and widely measured variable by both researchers and engineers. In this regard, most of the available temperature sensors are based on contact mode of operation. In this consideration, the ...
Engineered Catalytic Metal—Metal-Oxide Nano-heterostructures for CO Oxidation
Owing to its interesting chemistry and toxic nature, catalytic oxidation of CO is of both fundamental and practical interest. Two applications, viz. CO conversion in the catalytic converters and pre-treatment of CO-rich ...
Alluaudite Class of High-Voltage Cathodes for Sodium-Ion Battery Applications: A Synthesis, Structure, Property Correlation Study
The work presented in this thesis demonstrates
alluaudites as a niche class of compounds forming the
rich treasure house of sodium insertion hosts. The
potential of this open frame-worked alluaudites is
immense and ...
Insights into Structure-Property Relationships via First Principles and Machine Learning Approaches
The increasing concerns about a sustainable future demand accelerated design and development of new materials with enhanced properties. The process of material development immensely depends on the structure-to-property ...