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Interfacial versus Bulk Properties of Hole-Transporting Materials for Perovskite Solar Cells: Isomeric Triphenylamine-Based Enamines versus Spiro-OMeTAD.

ABSTRACT: Here, we report on three new triphenylamine-based enamines synthesized by condensation of an appropriate primary amine with 2,2-diphenylacetaldehyde and characterized by experimental techniques and density functional theory (DFT) computations. Experimental results allow highlighting attractive properties including solid-state ionization potential in the range of 5.33-5.69 eV in solid-state and hole mobilities exceeding 10^-3 cm²/V·s, which are higher than those in spiro-OMeTAD at the same electric fields. DFT-based analysis points to the presence of several conformers close in energy at room temperature. The newly synthesized hole-transporting materials (HTMs) were used in perovskite solar cells and exhibited performances comparable to that of spiro-OMeTAD. The device containing one newly synthesized hole-transporting enamine was characterized by a power conversion efficiency of 18.4%. Our analysis indicates that the perovskite-HTM interface dominates the properties of perovskite solar cells. PL measurements indicate smaller efficiency for perovskite-to-new HTM hole transfer as compared to spiro-OMeTAD. Nevertheless, the comparable power conversion efficiencies and simple synthesis of the new compounds make them attractive candidates for utilization in perovskite solar cells.

SUBMITTER: Simokaitiene J

PROVIDER: S-EPMC8289195 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Carbazole-Terminated Isomeric Hole-Transporting Materials for Perovskite Solar Cells.

Project description:A set of novel hole-transporting materials (HTMs) based on π-extension through carbazole units was designed and synthesized via a facile synthetic procedure. The impact of isomeric structural linking on their optical, thermal, electrophysical, and photovoltaic properties was thoroughly investigated by combining the experimental and simulation methods. Ionization energies of HTMs were measured and found to be suitable for a triple-cation perovskite active layer ensuring efficient hole injection. New materials were successfully applied in perovskite solar cells, which yielded a promising efficiency of up to almost 18% under standard 100 mW cm-2 global AM1.5G illumination and showed a better stability tendency outperforming that of 2,2',7,7'-tetrakis-(N,N-di-p-methoxyphenylamine)-9,9'-spirobifluorene. This work provides guidance for the molecular design strategy of effective hole-conducting materials for perovskite photovoltaics and similar electronic devices.

| S-EPMC7467540 | biostudies-literature

Stability Improvement of Perovskite Solar Cells by the Moisture-Resistant PMMA:Spiro-OMeTAD Hole Transport Layer.

Project description:Perovskite solar cells (PSCs) based on the 2,2',7,7'-tetrakis(N,N-di-p-methoxyphenylamine)-9,9'-spirobifluorene (spiro-OMeTAD) hole transport layer have exhibited leading device performance. However, the instability caused by this organic function layer is a very important limiting factor to the further development of PSCs. In this work, the spiro-OMeTAD is doped with polymethyl methacrylate (PMMA), which is further used as the hole transport layer to improve the device stability. It is shown that the PMMA can effectively improve the moisture and oxygen resistance of spiro-OMeTAD, which leads to improved device stability by separating the perovskite layer from moisture and oxygen. The device efficiency can maintain 77% of the original value for PSCs with the PMMA-doped spiro-OMeTAD hole transport layer, under a natural air environment (RH = 40%) for more than 80 days. The results show that the moisture- and oxygen-resistant PMMA:spiro-OMeTAD hole transport layer is effective at improving the device performance.

| S-EPMC8782036 | biostudies-literature

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Project description:Spiro-OMeTAD with symmetric spiro-bifluorene unit has dominated the investigation of hole-transporting material (HTM) for efficient perovskite solar cells (PSCs) despite of its low intrinsic hole conductivity and instability. In this study, we designed and synthesized three asymmetric spiro-phenylpyrazole/fluorene base HTMs, namely: WY-1, WY-2 and WY-3. They exhibit excellent electrochemical properties and hole conductivities. Moreover, the PSC based on WY-1 exhibits the highest power conversion efficiency (PCE) of 14.2%, which is comparable to the control device employing spiro-OMeTAD as HTM (14.8%). These results pave the way to further optimization of both molecular design and device performance of the spiro-based HTMs.

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Effect of multi-armed triphenylamine-based hole transporting materials for high performance perovskite solar cells.

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| S-EPMC6021790 | biostudies-other

De Novo Design of Spiro-Type Hole-Transporting Material: Anisotropic Regulation Toward Efficient and Stable Perovskite Solar Cells.

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| S-EPMC10964223 | biostudies-literature

Shelf life stability comparison in air for solution processed pristine PDPP3T polymer and doped spiro-OMeTAD as hole transport layer for perovskite solar cell.

Project description:This data in brief includes forward and reverse scanned current density-voltage (J-V) characteristics of perovskite solar cells with PDPP3T and spiro-OMeTAD as HTL, stability testing conditions of perovskite solar cell shelf life in air for both PDPP3T and spiro-OMeTAD as HTL as per the description in Ref. [1], and individual J-V performance parameters acquired with increasing time exposed in ambient air are shown for both type of devices using PDPP3T and spiro-OMeTAD as HTL. The data collected in this study compares the device stability with time for both PDPP3T and spiro-OMeTAD based perovskite solar cells and is directly related to our research article "solution processed pristine PDPP3T polymer as hole transport layer for efficient perovskite solar cells with slower degradation" [2].

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Metal-Organic Decomposition-Mediated Nanoparticulate Vanadium Oxide Hole Transporting Buffer Layer for Polymer Bulk-Heterojunction Solar Cells.

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| S-EPMC7465065 | biostudies-literature

Oxidized Spiro-OMeTAD: Investigation of Stability in Contact with Various Perovskite Compositions.

Project description:The power conversion efficiency of perovskite solar cells (PSCs) has risen steadily in recent years; however, one important aspect of the puzzle remains to be solved-the long-term stability of the devices. We believe that understanding the underlying reasons for the observed instability and finding means to circumvent it is crucial for the future of this technology. Not only the perovskite itself but also other device components are susceptible to thermal degradation, including the materials comprising the hole-transporting layer. In particular, the performance-enhancing oxidized hole-transporting materials have attracted our attention as a potential weak component in the system. Therefore, we performed a series of experiments with oxidized spiro-OMeTAD to determine the stability of the material interfaced with five most popular perovskite compositions under thermal stress. It was found that oxidized spiro-OMeTAD is readily reduced to the neutral molecule upon interaction with all five perovskite compositions. Diffusion of iodide ions from the perovskite layer is the main cause for the reduction reaction which is greatly enhanced at elevated temperatures. The observed sensitivity of the oxidized spiro-OMeTAD to ion diffusion, especially at elevated temperatures, causes a decrease in the conductivity observed in the doped films of spiro-OMeTAD, and it also contributes significantly to a drop in the performance of PSCs operated under prolonged thermal stress.

| S-EPMC8715445 | biostudies-literature

The Evolution of Classical Spiro-OMeTAD: Synthesis of Arylamine Endcapped Indenone Spirofluorene.

Project description:Spiro-OMeTAD is the well-known hole transporting material (HTM) in perovskite solar cells. In this work, its derivatives, namely four D-A shaped triphenylamine or biphenylamine endcapped indenone spirofluorene (SFD-TPA, SFD-OMeTPA, SFD-TAD, and SFD-OMeTAD), were designed and synthesized. With the introduction of electron-donating moieties and the extension of conjugation length, a series of changes in photophysical and electrochemical properties could be detected. Notably, in comparison with the optical gap (2.96 eV) of the reported spiro-OMeTAD, SFD-OMeTAD presents an optical gap as low as 1.87 eV. Moreover, density functional theory simulations were employed to further investigate their geometric and electronic structures. Finally, steady-state photoluminescence measurements proved the efficient charge separation and collection processes at the perovskite/HTM interface. It can be predicted that all four compounds with enhanced sunlight absorption capability and suitable frontier energy levels can be used as hole-transporting materials for perovskite solar cells.

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Spiro-OMeTAD single crystals: Remarkably enhanced charge-carrier transport via mesoscale ordering.

Project description:We report the crystal structure and hole-transport mechanism in spiro-OMeTAD [2,2',7,7'-tetrakis(N,N-di-p-methoxyphenyl-amine)9,9'-spirobifluorene], the dominant hole-transporting material in perovskite and solid-state dye-sensitized solar cells. Despite spiro-OMeTAD's paramount role in such devices, its crystal structure was unknown because of highly disordered solution-processed films; the hole-transport pathways remained ill-defined and the charge carrier mobilities were low, posing a major bottleneck for advancing cell efficiencies. We devised an antisolvent crystallization strategy to grow single crystals of spiro-OMeTAD, which allowed us to experimentally elucidate its molecular packing and transport properties. Electronic structure calculations enabled us to map spiro-OMeTAD's intermolecular charge-hopping pathways. Promisingly, single-crystal mobilities were found to exceed their thin-film counterparts by three orders of magnitude. Our findings underscore mesoscale ordering as a key strategy to achieving breakthroughs in hole-transport material engineering of solar cells.

| S-EPMC4846453 | biostudies-literature

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