2019
DOI: 10.1021/acs.jpcc.9b01243
|View full text |Cite
|
Sign up to set email alerts
|

Toward Prediction of Nonradiative Decay Pathways in Organic Compounds I: The Case of Naphthalene Quantum Yields

Abstract: Many emerging technologies depend on human's ability to control and manipulate the excited-state properties of molecular systems. These technologies include fluorescent labeling in biomedical imaging, light harvesting in photovoltaics, and electroluminescence in light-emitting devices. All of these systems suffer from non-radiative loss pathways that dissipate electronic energy as heat, which causes the overall system efficiency to be directly linked to quantum yield (Φ) of the molecular excited state. Unfortu… Show more

Help me understand this report
View preprint versions

Search citation statements

Order By: Relevance

Paper Sections

Select...
4
1

Citation Types

6
77
0

Year Published

2019
2019
2023
2023

Publication Types

Select...
5
1

Relationship

1
5

Authors

Journals

citations
Cited by 55 publications
(83 citation statements)
references
References 98 publications
6
77
0
Order By: Relevance
“…The semi-empirical model for Φ fl , including all assumptions that are made to simplify the procedure, can be found in our previous study about naphthalene derivatives. 127 In the present subsection, we will discuss only the salient information and the differences in the improved prescription.…”
Section: Quantum Yieldmentioning
confidence: 99%
See 4 more Smart Citations
“…The semi-empirical model for Φ fl , including all assumptions that are made to simplify the procedure, can be found in our previous study about naphthalene derivatives. 127 In the present subsection, we will discuss only the salient information and the differences in the improved prescription.…”
Section: Quantum Yieldmentioning
confidence: 99%
“…29,31,37,40,43,45,50,51,54,55,62,70,76,79,85,[87][88][89]91,93,95,98,101,[106][107][108][109]111,[113][114][115][116][117][118][119][120][121][122][123][124][125][126] To further reduce the computational cost, our group proposed and constructed an alternative approach by using a data-driven, semi-empirical model based on a combination of inexpensive quantum chemical calculations and experimental spectroscopic data. 127 Herein we focus on the prediction of a key photophysical quantity, the fluorescence quantum yield (Φ fl ), which is defined as [128][129][130] Φ fl = # of photons emitted # of photons absorbed ,…”
Section: Introductionmentioning
confidence: 99%
See 3 more Smart Citations