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Overcoming Challenges Associated with Hydrogen Storage Efficiency and Fuel Cell Catalysis : An Ab Initio Study
Fuel cells offer the best solution to the imminent energy and environmental crisis staring at
our face, urging the scientific community to overcome all the challenges faced by its effective
commercialization. These harness ...
Integration of AlGaN with (111) Si Substrate by MOCVD
AlGaN is an important semiconductor material for electronic and optoelectronic applications.
The change in composition of AlGaN (AlN to GaN) provides a range of bandgaps extending
from 6.01 eV, far ultraviolet, to 3.4 ...
III- Nitride Thin Films and Nanostructures on Si(111) by Plasma Assisted Molecular Beam Epitaxy
This thesis focuses on studying heterostructures of GaN, Silicon and AlN. GaN nanostructures are grown on bare Si (111) with and without a GaN buffer layer and GaN film was grown on an AlN layer. Apart from the material ...
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 ...
Addressing the Challenges in Designing of Efficient Thermoelectric Materials
Thermoelectric materials offer applications in conversion of waste heat to useful electrical energy
and are promising sources of renewable energy. To use a material efficiently in thermoelectric
application it is necessary ...
Transition metal phosphide nanostructures encapsulated in N,P co doped nanotubes for water splitting in wide pH range
In order to make clean and sustainable energy conversion, systems primarily requires the development of highly efficient and robust catalysts. One of the main challenges for designing the catalysts is to minimize the cost ...
Vanadium Dioxide: Bulk and Thin Films for Device Applications
In the present era, energy consumption is more than the energy that is generated for which renewable as well as non-renewable sources are used. In order overcome this lag, researchers are developing smart materials ...
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 ...
Towards high quality V2O5 and VO2 thin films for gas sensing, smart windows and optoelectronic applications
The global demand for improved living standards coupled with rising pollutant or hazardous gases levels, safety and security demands have led to increased demand for miniaturized gas sensors and photodetectors. Production ...