Response to Comment “On the Existence of Excitonic Signatures in the Optical Response of Metal–Organic Frameworks”

Valentin A. Milichko, Elena V. Khramenkova, Vladimir P. Dzyuba, Evgeny A. Pidko

Research output: Contribution to journalComment/Letter to the editorScientificpeer-review

2 Citations (Scopus)
1 Downloads (Pure)

Abstract

This is a response to a comment on the interpretation of the origin of the nonlinear changes of optical properties of van der Waals' metal–organic frameworks (MOFs). The concerns are addressed by clarifying potential pitfalls in density functional theory (DFT) simulations, careful analysis of prior literature, and additionally discussing the previous experimental results to emphasize the applicability of the excitonic concept in molecular crystals, such as MOFs.

Original languageEnglish
Article number1705261
JournalAdvanced Materials
Volume29
Issue number47
DOIs
Publication statusPublished - 20 Dec 2017

Keywords

  • accuracy
  • density functional theory
  • excitons
  • metal–organic frameworks
  • molecular modeling

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