2015
DOI: 10.1002/bkcs.10526
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Computational Designing of Triphenylamine Dyes with Broad and Red‐shifted Absorption Spectra for Dye‐sensitized Solar Cells using Multi‐Thiophene Rings in π‐Spacer

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Cited by 82 publications
(24 citation statements)
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References 27 publications
(39 reference statements)
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“…These calculations required a long time. [20][21][22] Calculated energy levels are used to predict power conversion efficiency (PCE) through Scharber's model. However, this model is not accurate.…”
Section: Introductionmentioning
confidence: 99%
“…These calculations required a long time. [20][21][22] Calculated energy levels are used to predict power conversion efficiency (PCE) through Scharber's model. However, this model is not accurate.…”
Section: Introductionmentioning
confidence: 99%
“…[ 19–22 ] Even high‐speed computational facilities are available; longer time is also an issue. [ 23–26 ] Machine learning (ML) is a more suitable solution for these issues; it is fast and marginal computational cost is required. [ 27,28 ] However, sufficient amount of data are necessary because its prediction ability depends on quality and volume of data.…”
Section: Introductionmentioning
confidence: 99%
“…[19][20][21][22] Even high-speed computational facilities are available; longer time is also an issue. [23][24][25][26] Machine learning (ML) is a more suitable solution for these issues; it is fast and marginal computational cost is required. [27,28] However,…”
mentioning
confidence: 99%
“…With the development of computer technology, some properties of the chemical can be predicted by the developed programs, for example, ultraviolet‐visible and fluorescence spectra can be simulated by Materials Studio software and Gaussian software according to the luminescence mechanism. In this study, the maximum absorption and maximum emission wavelengths of the synthesised dye were calculated by Gaussian 09 based on time‐dependent density functional theory (TD‐DFT).…”
Section: Introductionmentioning
confidence: 99%