TY - JOUR
T1 - Response to Comment “On the Existence of Excitonic Signatures in the Optical Response of Metal–Organic Frameworks”
AU - Milichko, Valentin A.
AU - Khramenkova, Elena V.
AU - Dzyuba, Vladimir P.
AU - Pidko, Evgeny A.
PY - 2017/12/20
Y1 - 2017/12/20
N2 - 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.
AB - 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.
KW - accuracy
KW - density functional theory
KW - excitons
KW - metal–organic frameworks
KW - molecular modeling
UR - http://resolver.tudelft.nl/uuid:51f4ae6a-8134-4f40-89ff-d080698e815e
UR - http://www.scopus.com/inward/record.url?scp=85037996880&partnerID=8YFLogxK
U2 - 10.1002/adma.201705261
DO - 10.1002/adma.201705261
M3 - Comment/Letter to the editor
AN - SCOPUS:85037996880
VL - 29
JO - Advanced Materials
JF - Advanced Materials
SN - 0935-9648
IS - 47
M1 - 1705261
ER -