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Rational Design of Efficient Catalysts using First-Principles and Machine Learning
Rising concerns about the impending energy crisis and environmental impact have garnered tremendous research interest in developing catalysts for sustainable fuel production and pollution abatement. However, the traditional ...
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 ...
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 ...
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 ...
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 ...
Investigation of 1D nanostructures and heterostructures using electron microscopy
Inorganic colloidal nanocrystals are extensively used in various fields such as electronics, sensing, photonics, thermoelectrics and catalysis. The intriguing properties of these colloidal nanocrystals can be attributed ...
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 ...
Nonpolar III-Nitrides Optoelectronic Devices by Plasma-Assisted Molecular Beam Epitaxy
III-Nitrides are excellent semiconductors very much suitable for modern electronic and optoelectronic applications specifically in the fields of solid-state lighting, solar cells, high power/frequency electronics and ...