Nanoscience and Nanotechnology 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. …

Electro-Chemo-Mechanics Of The Interfaces In 2d-3d Heterostructure Electrodes, Vidushi Sharma

Dissertations

Unique heterostructure electrodes comprising two-dimensional (2D) materials and bulk three dimensional (3D) high-performance active electrodes are recently synthesized and experimentally tested for their electrochemical performance in metal-ion batteries. Such electrodes exhibit long cycle life while they also retain high-capacity inherent to the active electrode. The role of 2D material is to provide a supportive mesh that allows buffer space for volume expansions upon ion intercalation in the active material and establishes a continuous electronic contact. Therefore, the binding strength between both materials is crucial for the success of such electrodes. Furthermore, battery cycles may bring about phase transformations in the …