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|a 10.1021/acs.chemmater.3c02353
|2 doi
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|a pubmed24n1261.xml
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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| 100 |
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|a Hou, Xueyan
|e verfasserin
|4 aut
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|a Structure-Property Relationships for the Electronic Applications of Bis-Adduct Isomers of Phenyl-C61 Butyric Acid Methyl Ester
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|c 2024
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|a Text
|b txt
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|a ƒaComputermedien
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|2 rdamedia
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|a ƒa Online-Ressource
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|2 rdacarrier
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|a Date Revised 16.01.2024
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|a published: Electronic-eCollection
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|a Citation Status PubMed-not-MEDLINE
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|a © 2023 The Authors. Published by American Chemical Society.
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|a Higher adducts of a fullerene, such as the bis-adduct of PCBM (bis-PCBM), can be used to achieve shallower molecular orbital energy levels than, for example, PCBM or C60. Substituting the bis-adduct for the parent fullerene is useful to increase the open-circuit voltage of organic solar cells or achieve better energy alignment as electron transport layers in, for example, perovskite solar cells. However, bis-PCBM is usually synthesized as a mixture of structural isomers, which can lead to both energetic and morphological disorder, negatively affecting device performance. Here, we present a comprehensive study on the molecular properties of 19 pure bis-isomers of PCBM using a variety of characterization methods, including ultraviolet photoelectron spectroscopy, thermal gravimetric analysis, differential scanning calorimetry, single crystal structure, and (time-dependent) density functional theory calculation. We find that the lowest unoccupied molecular orbital of such bis-isomers can be tuned to be up to 170 meV shallower than PCBM and up to 100 meV shallower than the mixture of unseparated isomers. The isolated bis-isomers also show an electron mobility in organic field-effect transistors of up to 4.5 × 10-2 cm2/(V s), which is an order of magnitude higher than that of the mixture of bis-isomers. These properties enable the fabrication of the highest performing bis-PCBM organic solar cell to date, with the best device showing a power conversion efficiency of 7.2%. Interestingly, we find that the crystallinity of bis-isomers correlates negatively with electron mobility and organic solar cell device performance, which we relate to their molecular symmetry, with a lower symmetry leading to more amorphous bis-isomers, less energetic disorder, and higher dimensional electron transport. This work demonstrates the potential of side chain engineering for optimizing the performance of fullerene-based organic electronic devices
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|a Journal Article
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|a Coker, Jack F
|e verfasserin
|4 aut
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1 |
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|a Yan, Jun
|e verfasserin
|4 aut
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1 |
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|a Shi, Xingyuan
|e verfasserin
|4 aut
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1 |
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|a Azzouzi, Mohammed
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Eisner, Flurin D
|e verfasserin
|4 aut
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1 |
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|a McGettrick, James D
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Tuladhar, Sachetan M
|e verfasserin
|4 aut
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1 |
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|a Abrahams, Isaac
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Frost, Jarvist M
|e verfasserin
|4 aut
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| 700 |
1 |
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|a Li, Zhe
|e verfasserin
|4 aut
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1 |
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|a Dennis, T John S
|e verfasserin
|4 aut
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| 700 |
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|a Nelson, Jenny
|e verfasserin
|4 aut
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| 773 |
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|i Enthalten in
|t Chemistry of materials : a publication of the American Chemical Society
|d 1998
|g 36(2024), 1 vom: 09. Jan., Seite 425-438
|w (DE-627)NLM098194763
|x 0897-4756
|7 nnns
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| 773 |
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|g volume:36
|g year:2024
|g number:1
|g day:09
|g month:01
|g pages:425-438
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|u http://dx.doi.org/10.1021/acs.chemmater.3c02353
|3 Volltext
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