The main objective of this thesis is to study phonon thermal transport in two-dimensional (2D) materials using first-principles density functional theory (DFT)

Over the last decade, substantial attention has been paid to novel nanostructures based on two-dimensional (2D) materials. Among the hundreds of 2D materials th

There are only a few discoveries and new technologies in materials science that have the potential to dramatically alter and revolutionize our material world. D

A typical electronic or photonic device may consist of several materials each one potentially meeting at an interface or terminating with a free-surface boundar

The semiconductor industry has rapidly innovated to meet the increasing needs of computationally demanding applications such as artificial intelligence and high