Mechanical Engineering Commons^™

Modeling Of Two-Dimensional And Biological Materials Towards Diverse Nano-Systems Applications, Jatin Kashyap

Dissertations

This dissertation studies the demonstration of materials ranging from two-dimensional (2D) materials to small bio-molecules using various atomistic/molecular and sub-atomic particles (electron, hole, excitons) modeling techniques for multi-domain applications. Three categories of materials/systems are investigated as follows: 2D materials, biological materials, and complexes of 2D and biological materials.

The first problem demonstrates wrinkles' ubiquitous presence in two-dimensional materials significantly alters their properties. It is observed that water molecules, sourced from ambient humidity or transfer method, can get diffused in between Graphene and the substrate during the Graphene growth. The water diffusion causes/assists wrinkle formation in Graphene, which influences its properties. …