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Response to Comment “On the Existence of Excitonic Signatures in the Optical Response of Metal–Organic Frameworks”
Author(s) -
Milichko Valentin A.,
Khramenkova Elena V.,
Dzyuba Vladimir P.,
Pidko Evgeny A.
Publication year - 2017
Publication title -
advanced materials
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 10.707
H-Index - 527
eISSN - 1521-4095
pISSN - 0935-9648
DOI - 10.1002/adma.201705261
Subject(s) - nonlinear optical , materials science , metal organic framework , van der waals force , density functional theory , interpretation (philosophy) , metal , chemical physics , nanotechnology , computational chemistry , nonlinear system , theoretical physics , chemistry , quantum mechanics , molecule , computer science , physics , adsorption , metallurgy , programming language
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.