High open circuit voltage in efficient thiophene-based small molecule solution processed organic solar cells

Montcada, Núria F.; Pelado, Beatriz; Viterisi, Aurélien; Albero, Josep; Coro, Julieta; Cruz, Pilar de la; Langa, Fernando; Palomares, Emilio

doi:10.1016/j.orgel.2013.08.004

Cited by 33 publications

(22 citation statements)

References 20 publications

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“…12 Advantages of small molecules include well-dened structures and characterisability, higher manufacturing yields, facile purication techniques, 16 and their reproducible, less complex syntheses. 17 Devices employing solution-processed small molecules as both donor and acceptor components gave device efficiencies of $3%, 18 which is similar to the average device performance of the widely studied and extensively optimized polymer : fullerene P3HT : PC60BM system. 19 As a result of this progress, a wide variety of new small molecules for solutionprocessed organic photovoltaics are being prepared, [20][21][22][23][24] including efficient donor-acceptor-donor (D-A-D) systems.…”

Section: Introductionsupporting

confidence: 52%

4H-1,2,6-Thiadiazin-4-one-containing small molecule donors and additive effects on their performance in solution-processed organic solar cells

et al. 2015

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Section: Introductionsupporting

confidence: 52%

4H-1,2,6-Thiadiazin-4-one-containing small molecule donors and additive effects on their performance in solution-processed organic solar cells

et al. 2015

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“…In the past few years, small-moleculebased OSCs were developedr apidly. [9][10][11] The PCEo fs mall-molecule solar cells first achieving ar ecord of~4% was reported in 2009, [12] and now state-of-the-art PCEs of 9.9 %f or as inglejunction solar [13] and 10.1 %f or tandemc ell devices [14] have been obtained, respectively.T hish uge stride is mainly fuelled by elaborate molecular design. [15][16][17][18] For example, in 2011, small molecules incorporating one-dimensional benzo[1,2-b:4,5-b']dithiophene units have been successfully appliedinsolution-processeds olar cells.…”

Section: Introductionmentioning

confidence: 99%

A Solution‐Processable Molecule using Thieno[3,2‐b]thiophene as Building Block for Efficient Organic Solar Cells

Wei

Chen

Han

et al. 2015

Chemistry An Asian Journal

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A solution-processed acceptor-π-donor-π-acceptor (A-π-D-π-A) type small molecule, namely DCATT, has been designed and synthesized for the application as donor material in organic solar cells. The fused aromatic unit thieno[3,2-b]thiophene (TT) flanked with thiophene is applied as π bridge, while 4,8-bisthienyl substituted benzodithiophene (BDT) and 2-ethylhexyl cyanoacetate are chosen as the central building block and end group, respectively. Introduction of fused ring to the small molecule enhances the conjugation length of the main chain, and gives a strong tendency to form π-π stacking with a large overlapping area which favors to high charge carrier transport. Small-molecule organic solar cells based on blends of DCATT and fullerene acceptor exhibit power conversion efficiencies as high as 5.20 % under the illumination of AM 1.5G, 100 mW cm(-2) .

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“…A, Training set: from yellow to blue, according to the experimental PCE (yellow, low; blue, high PCE); test set: red squares. B, Training set: gray; test set color‐scale according to scaffold similarity: compounds from Brabec et al (purple), compounds from Cheng et al (yellow), compounds from Sun et al (violet), compounds from Montcada et al (green), compounds from Löbert et al (pale blue), compounds from Montcada et al (pink), compounds from Gupta et al (orange)…”

Section: Resultsmentioning

confidence: 99%

Quantitative structure‐property relationship modeling of small organic molecules for solar cells applications

Tortorella

Angelis

Cruciani

2017

Journal of Chemometrics

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Despite the need of a reliable technology for solar energy harvesting, research on new materials for third generation photovoltaics is slowed down by the diffuse use of trial and error rather than rational material design approaches. The proposed study investigates the use of alternative strategies to material discovery inspired by drug design and molecular modeling. In particular, training set and test set (for validation purposes) comprising well‐known small molecule‐bulk heterojunction organic photovoltaics were built. Molecules were characterized by semiempirical calculated and 3D molecular interaction fields–based descriptors. Then partial least squares algorithm was applied to rationalize structure‐photovoltaic activity relationships, and coefficients were investigated to clarify contributions played by the different molecular properties to the final performance. In addition, a photovoltaic desirability function (PhotD) was also proposed as alternative and versatile novel tool for ranking potential candidates. The partial least squares model and PhotD function were both internally and externally validated demonstrating their ability in estimating new candidates performances. The proposed approach demonstrates that, in the context of computational materials science, chemometrics and molecular modeling tools could effectively boost the discovery of novel promising candidates for photovoltaic application.

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High open circuit voltage in efficient thiophene-based small molecule solution processed organic solar cells

Cited by 33 publications

References 20 publications

4H-1,2,6-Thiadiazin-4-one-containing small molecule donors and additive effects on their performance in solution-processed organic solar cells

4H-1,2,6-Thiadiazin-4-one-containing small molecule donors and additive effects on their performance in solution-processed organic solar cells

A Solution‐Processable Molecule using Thieno[3,2‐b]thiophene as Building Block for Efficient Organic Solar Cells

Quantitative structure‐property relationship modeling of small organic molecules for solar cells applications

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