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

oleh: Luke T. Roling, Jessica Scaranto, Jeffrey A. Herron, Huaizhe Yu, Sangwook Choi, Nicholas L. Abbott, Manos Mavrikakis

Format: Article
Diterbitkan: Nature Portfolio 2016-11-01

Deskripsi

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.