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

doi:10.1002/adma.201705261

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

^*Corresponding author for this work

ChemE/Inorganic Systems Engineering

Research output: Contribution to journal › Comment/Letter to the editor › Scientific › peer-review

2 Citations (Scopus)

4 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 language	English
Article number	1705261
Journal	Advanced Materials
Volume	29
Issue number	47
DOIs	https://doi.org/10.1002/adma.201705261
Publication status	Published - 20 Dec 2017

Keywords

accuracy
density functional theory
excitons
metal–organic frameworks
molecular modeling

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10.1002/adma.201705261

Milichko_et_al-2017-Advanced_MaterialsFinal published version, 1.14 MBLicence: CC BY-NC

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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.",

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Response to Comment “On the Existence of Excitonic Signatures in the Optical Response of Metal–Organic Frameworks”. / Milichko, Valentin A.; Khramenkova, Elena V.; Dzyuba, Vladimir P.; Pidko, Evgeny A.

In: Advanced Materials, Vol. 29, No. 47, 1705261, 20.12.2017.

Research output: Contribution to journal › Comment/Letter to the editor › Scientific › peer-review

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

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JO - Advanced Materials

JF - Advanced Materials

SN - 0935-9648

IS - 47

M1 - 1705261

ER -

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

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