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Tuning Electronic Properties of Low Dimensional Materials
(2017-11-22)
Discovery of grapheme has paved way for experimental realization of many physical phenomena such as massless Dirac fermions, quantum hall effect and zero-field conductivity. Search for other two dimensional (2D) materials ...
Investigation of Structural and Electronic Aspects of Ultrathin Metal Nanowires
(2018-02-11)
The constant trend of device miniaturization along with ever-growing list of unusual behaviour of nanoscale materials has fuelled the recent research in fabrication and applications of ultrathin (~2 nm diameter) nanowires. ...
Experimental And Theoretical Studies Of Strongly Correlated Multiferroic Oxides
(2011-05-23)
This thesis presents the synthesis and investigations of physical and chemical properties of multiferroic materials experimentally as well as theoretically. Multiferroics are materials in which at least two of the three ...
Constructing transition metal-based heterostructure nanomaterials for electrocatalysis
Storing renewable energy into chemical bonds like hydrogen as a carbon-neutral energy carrier to deliver the energy demands is gaining attention. However, the popular hydrogen production route by water electrolysis involves ...
Exploring Topological Phases of Matter using Density Functional Theory and Machine Learning Approaches
Topological phases of matter such as topological insulator (TI), quantum anomalous Hall insulator (QAHI), nodal line semimetal (NLSM), and triple point metal (TPM) can be realized by manipulating the spin-orbit coupling ...
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 ...
Ab-initio Modeling and Designing of Materials for Thermoelectrics, Optoelectronics and High Temperature Applications
Designing a material for a particular application requires an atomistic understanding of its
properties. Recent development in first principles methods and supercomputing speeds has
enabled researchers to compute materials ...