Crystallization of Organic Thin Films

I developed phase-field models for microstructural evolution during crystallization in organic thin films. A combination of thermodynamic and kinetic effects give rise to a wide variety of different morphologies and molecular orientations in these organic thin film systems.

Relevant publications:

• Crystallization in Organic Semiconductor Thin Films: A Diffuse-Interface Approach
• Capillary Effects in Guided Crystallization of Organic Thin Films
• Simulation Study of Twisted Crystal Growth in Organic Thin Films

Videos:

• 2014 Art of Science video (finalist)

Electrodeposition into porous materials

I have also worked on modeling the morphologies and conditions under which electrodeposition occurs in porous materials, with applications in nanowire fabrication and battery safety.

Relevant publications:

• Modeling and Analysis of Electrodeposition in Porous Templates
• Size Dependence of Transport Non-Uniformities on Localized Plating in Lithium-Ion Batteries

Molecular simulations of electrolytes at interfaces

Current work focuses on using molecular dynamics simulations to understand the nanoscale behavior of ions at interfaces, with applications in nanoporous atomically thin membranes for controlled ion permeation and supercapacitors for energy storage.

Relevant publications:

• Highly Mechanosensitive Ion Channels from Graphene-Embedded Crown Ethers
• Simulation Study of the Capacitance and Charging Mechanisms of Ionic Liquid Mixtures near Carbon Electrodes
• Large Variations in the Composition of Ionic Liquid-Solvent Mixtures in Nanoscale Confinement

Other research interests

I am very interested in renewable energy, energy storage, and energy efficiency. I think transitioning to sustainable energy sources is an extremely important challenge faced by our society today.

I am also broadly interested in materials microstructure characterization and modeling, self-assembly/pattern formation, electrochemical systems, and computational physics.