Towards first-principles molecular design of liquid crystal-based chemoresponsive systems

Nematic liquid crystals have potential as sensors for various molecules. Here, the authors present a computational chemistry model for describing the detection of a warfare agent by liquid crystals, opening the door for the atomic-scale design of sensitive and selective chemoresponsive systems.

Bibliographic Details
Main Authors: Luke T. Roling, Jessica Scaranto, Jeffrey A. Herron, Huaizhe Yu, Sangwook Choi, Nicholas L. Abbott, Manos Mavrikakis
Format: Article
Language:English
Published: Nature Publishing Group 2016-11-01
Series:Nature Communications
Online Access:https://doi.org/10.1038/ncomms13338