2022
DOI: 10.1002/chem.202200701
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Molecular Engineering of Star‐Shaped Indoline Hole Transport Materials: The Influence of Planarity on the Hole Extraction and Transport Processes

Abstract: As the key properties of perovskite solar cells (PSCs), the hole extraction and transport capabilities of the hole transport material (HTM) affect the photovoltaic performance of PSCs to a considerable extent, while both capabilities can be adjusted by molecular planarity. Therefore, in this work, the molecular planarity of the HTM is systematically optimized to regulate the hole extraction and transport capabilities. Along with the improvement in planarity, the HTM′s HOMO level is increased, leading to the en… Show more

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Cited by 3 publications
(2 citation statements)
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“…The front-view images of the geometrically optimized molecular structures in Figure S18, Supporting Information, further verifies the conclusion aforementioned, indicating that the optimized structure of PTAA-P1,2 may be beneficial to the charge transfer at the interface. [58,59] Moreover, to quantitatively compare the regularity of these three polymer HTMs, the vertical distances between the N atoms in the backbones of polymers and the (100) plane of perovskite bottom surface are calculated (see inset of Figure 2d), which are defined as the N-to-(100) plane vertical distances. As portrayed in Figure 2d, PTAA and PTAA-P2 both exhibit broad distribution of N-to-(100) plane vertical distances from 4 to 12 Å.…”
Section: Resultsmentioning
confidence: 99%
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“…The front-view images of the geometrically optimized molecular structures in Figure S18, Supporting Information, further verifies the conclusion aforementioned, indicating that the optimized structure of PTAA-P1,2 may be beneficial to the charge transfer at the interface. [58,59] Moreover, to quantitatively compare the regularity of these three polymer HTMs, the vertical distances between the N atoms in the backbones of polymers and the (100) plane of perovskite bottom surface are calculated (see inset of Figure 2d), which are defined as the N-to-(100) plane vertical distances. As portrayed in Figure 2d, PTAA and PTAA-P2 both exhibit broad distribution of N-to-(100) plane vertical distances from 4 to 12 Å.…”
Section: Resultsmentioning
confidence: 99%
“…The front‐view images of the geometrically optimized molecular structures in Figure S18, Supporting Information, further verifies the conclusion aforementioned, indicating that the optimized structure of PTAA‐P1,2 may be beneficial to the charge transfer at the interface. [ 58,59 ]…”
Section: Resultsmentioning
confidence: 99%