A Combined Experiment-multiscale Simulation Study of 2D Nanomaterials Liquid-phase Exfoliation
Abstract
This DURIP proposal aims at acquisition of equipment necessary for basic fabrication,processing, and characterization of two-dimensional (2D) nanomaterials, specifically the carbonbasedones. The mechanical, electronic, thermal, and optical properties of (carbon-based) 2Dnanomaterials make them suitable components for low-density, multi-functional materials.Liquid-phase exfoliation is considered to be one of the most reliable approaches for massproduction and processing of 2D nanomaterials. However, the underlying basic mechanisms ofthis process are not well-understood. Particularly, the link between relevant atomic-scalephenomena, nano-scale interactions, and meso-scale free energies remain to be determined. Weintend to perform multiscale analysis, via ab initio-based simulations and guided experiments, tostudy liquid-phase exfoliation and functionalization processes. The project will determineessential thermodynamic quantities such as free energy variations and exfoliation rates. Theeffects of process characteristics including interlayer interactions, surfactant size, shape, andadsorption energies, as well as solvent surface energy and dielectric properties, on exfoliationwill be clarified. The results will provide the necessary basis to understand fundamentalmechanisms of liquid-phase exfoliation approach to production and functionalization of 2Dnanomaterials, in particular carbon-based ones, that are used in designing composite, lightweight,multifunctional materials.
Document Details
- Document Type
- DoD Grant Award
- Publication Date
- Aug 28, 2018
- Source ID
- FA95501810398
Entities
People
- Amir Farajian
Organizations
- Air Force Office of Scientific Research
- United States Air Force
- Wright State University