Print Email Facebook Twitter Response to Comment “On the Existence of Excitonic Signatures in the Optical Response of Metal–Organic Frameworks” Title Response to Comment “On the Existence of Excitonic Signatures in the Optical Response of Metal–Organic Frameworks” Author Milichko, Valentin A. (ITMO University) Khramenkova, E. (TU Delft ChemE/Inorganic Systems Engineering; TheoMAT group; ITMO University) Dzyuba, Vladimir P. (Russian Academy of Sciences) Pidko, E.A. (TU Delft ChemE/Inorganic Systems Engineering; TheoMAT group; ITMO University) Date 2017-12-20 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. Subject accuracydensity functional theoryexcitonsmetal–organic frameworksmolecular modeling To reference this document use: http://resolver.tudelft.nl/uuid:51f4ae6a-8134-4f40-89ff-d080698e815e DOI https://doi.org/10.1002/adma.201705261 ISSN 0935-9648 Source Advanced Materials, 29 (47) Part of collection Institutional Repository Document type journal article Rights © 2017 Valentin A. Milichko, E. Khramenkova, Vladimir P. Dzyuba, E.A. Pidko Files PDF Milichko_et_al_2017_Advan ... erials.pdf 1.22 MB Close viewer /islandora/object/uuid:51f4ae6a-8134-4f40-89ff-d080698e815e/datastream/OBJ/view