Nature Communications (May 2019)

A de novo strategy for predictive crystal engineering to tune excitonic coupling

  • Ritesh Haldar,
  • Antoine Mazel,
  • Marjan Krstić,
  • Qiang Zhang,
  • Marius Jakoby,
  • Ian A. Howard,
  • Bryce S. Richards,
  • Nicole Jung,
  • Denis Jacquemin,
  • Stéphane Diring,
  • Wolfgang Wenzel,
  • Fabrice Odobel,
  • Christof Wöll

DOI
https://doi.org/10.1038/s41467-019-10011-8
Journal volume & issue
Vol. 10, no. 1
pp. 1 – 7

Abstract

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In molecular solids, photoluminescence of dye molecules is often suppressed owing to excitonic coupling with adjacent chromophores. Here the authors use a computational method to predict the optimal alignment of naphthalenediimide linkers in metal–organic frameworks to afford J-aggregates, and demonstrate the same by fabricating highly photoluminescent thin film.