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

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

doi:10.1038/ncomms13338

Nature Communications (Nov 2016)

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

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

Affiliations

Luke T. Roling: Department of Chemical and Biological Engineering, University of Wisconsin-Madison
Jessica Scaranto: Department of Chemical and Biological Engineering, University of Wisconsin-Madison
Jeffrey A. Herron: Department of Chemical and Biological Engineering, University of Wisconsin-Madison
Huaizhe Yu: Department of Chemical and Biological Engineering, University of Wisconsin-Madison
Sangwook Choi: Department of Chemical and Biological Engineering, University of Wisconsin-Madison
Nicholas L. Abbott: Department of Chemical and Biological Engineering, University of Wisconsin-Madison
Manos Mavrikakis: Department of Chemical and Biological Engineering, University of Wisconsin-Madison

DOI: https://doi.org/10.1038/ncomms13338
Journal volume & issue: Vol. 7, no. 1
pp. 1 – 7

Abstract

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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.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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