Accelerated Design and Deployment of Metal Alloy Surfaces for Chemoresponsive Liquid Crystals

Project Personnel

Nicholas Abbott

Principal Investigator

Cornell University


Emmanouil Mavrikakis

University of Wisconsin, Madison


Robert Twieg

Kent State University


Funding Divisions

Division of Materials Research (DMR)

This project integrates electronic structure calculations, synthesis of mesogenic organic compounds, and advanced characterization methods to accelerate the design and deployment of liquid crystals (LCs) capable of responding to industrially important molecules such as NO, Cl2 and ClO2.   The approach is based on atomic-level design of the interactions of LCs with tailored metal and alloy surfaces, capitalizing on concepts related to catalysis/surface science to create stimuli-responsive soft materials. The team is building national infrastructure by promoting access to data and metadata for the scientific and industrial community, and by training a next generation workforce versed in accelerated materials deployment.

Research Highlights