Polarity regulation for stable 2D-perovskite-encapsulated high-efficiency 3D-perovskite solar cells

Su, Hang; Zhang, Lu; Liu, Yucheng; Hu, Yingjie; Zhang, Bobo; You, Jiaxue; Du, Xinyi; Zhang, Jing; Ren, Xiaodong; Gou, Jing; Liu, Shengzhong

doi:10.1016/j.nanoen.2022.106965

Cited by 35 publications

(36 citation statements)

References 46 publications

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“…o/m‐MeO (3.72/3.42 Debye) have larger dipoles than p‐MeO (1.19 Debye), which is beneficial to band alignment and charge transport at the interface. [ 41 ] The large molecular polarity will enhance the interactions between the passivator and the lead iodide. Therefore, o/m‐MeO should have stronger interactions with the lead iodide octahedron due to its stronger molecular polarity compared with p‐MeO.…”

Section: Resultsmentioning

confidence: 99%

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Machine‐Learning Modeling for Ultra‐Stable High‐Efficiency Perovskite Solar Cells

Zhang

et al. 2022

Advanced Energy Materials

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low-carbon and renewable clean energy due to its high carrier mobility, wide absorbance, low exciton energy, long carrier lifetime and diffusion length, high defect tolerance and low-cost preparation. [9,10] Researchers have made considerable effort to improve the power conversion efficiency (PCE) and longterm stability of PSCs. In 2009, MAPbBr 3 (MA = methylamine, CH 3 NH 2 ) was used as a new dye in a dye-sensitized solar cell. [3] Later, all-solid-state perovskite solar cells were prepared in 2012. [11,12] During the first stage, researchers attempted to improve the preparation technology for the solid perovskite absorber. The anti-solvent method, gas pumping, blade coating, vacuum deposition, magnetron sputtering, and other methods have been developed to eliminate macro defects such as pin holes and prepare dense thin films of perovskites. [13] Micro-defects, such as point defects in the bulk, grain boundaries, dangling bonds on the film surface and interfacial stress from thermal mismatch, have also been reduced by additive engineering, solvent engineering, composite engineering and strain engineering. [14] After great effort, the efficiency and long-term stability of PSCs have been improved considerably. However, the mechanisms of how efficiency and stability are affected by bandgap, trap density, grain boundaries, carrier lifetime and film roughness remain unknown due to too many involved parameters.Understanding the key factor driving the efficiency and stability of semiconductor devices is vital. To date, the key factor influencing the long-term stability of perovskite solar cells (PSCs) remains unknown because of the many influencing factors. In this work, through machine learning, the influences of five factors, including grain size, defect density, bandgap, fluorescence lifetime, and surface roughness, on the efficiency and stability of PSCs have been revealed. It is found that the bandgap has the greatest influence on the efficiency, and the surface roughness and grain size are most influential to the long-term stability. A mathematical model is given to predict efficiency based on fluorescence lifetime and bandgap. Guided by the model, four groups of experiments are conducted to confirm the machine-learning predictions and a PSC with 23.4% efficiency and excellent long-term stability is obtained, as manifested by retention of 97.6% of the initial efficiency after 3288 h aging in the ambient environment, the best stability under these conditions. This work shows that machine learning is an effective means to enrich semiconductor physical models.

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Section: Resultsmentioning

confidence: 99%

“…In our previous work, first‐principles calculations and experimental evidence indicate a larger molecular polarity will bring stronger interactions between passivators and the lead‐iodide octahedra during surface treatment, leading to better performance of PSCs. [ 41 ]…”

Section: Resultsmentioning

confidence: 99%

Machine‐Learning Modeling for Ultra‐Stable High‐Efficiency Perovskite Solar Cells

Zhang

et al. 2022

Advanced Energy Materials

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“…For example, the effective passivation of 4‐fluoroaniline for the perovskite surface is attributed to the dual functions of the organic molecule (antisolvent and large dipole moment), 156 while an aniline modifier 3‐phenyl‐2‐propen‐1‐amine (C9H9N) possessing improved conjugation and a strong dipole is suggested to favor the band alignment at the interface for charge extraction (Figure 3C). 157 The molecular polarity is suggested to be critical for both modulating the defect passivation and ion migration in halide perovskites 158 . In addition, the electronegativity and hydrophobicity of the organic species significantly impact the device performance 159 …”

Section: Molecular Engineer Interfacesmentioning

confidence: 99%

Molecular design for perovskite solar cells

Zhang

2022

Intl J of Energy Research

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The molecular approach is an effective way to improve the optoelectronic performance and stability of perovskite solar cells. In this manuscript, we review the progress and design principles of the molecular compounds for perovskite solar cells. The molecular design strategies that consider the A-site cations, additive molecules, solvent molecules, and surface adsorbates are explained, followed by a discussion on the molecular design at different perovskite-related interfaces, including the perovskite/perovskite interface, the electron transporting layer/perovskite interface, and the hole transporting layer/perovskite interface. Subsequently, the molecular impacts on the charge transfer directions at the perovskite surface and the molecular engineering on the molecular-scale halide perovskites are elucidated. The machine learning methods are emphasized to globally optimize the molecular layers for the perovskite solar cells from the complicated multidimensional virtual design space. Last but not least, the molecular design protocols are summarized and the suggestions for the future research directions on the molecular design for the halide perovskite materials are provided. This manuscript highlights the effectiveness of the molecular design strategies to improve the optoelectronic performance and stabilities of the perovskite solar cells.

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“…[7][8][9][10][11][12] Perovskite solar cells are one of the most extensively studied topics of third-generation photovoltaics because of the rapid rise in power conversion from 3.8% in 2009 to 25.8% in 2021. [13][14][15][16][17][18] In typical PSCs, the photoactive perovskite material is sandwiched between two charge transport layers, which are then positioned adjacent to their respective electrodes in typical cells as shown in Fig. 1a and b, which represent a simple cubic perovskite crystal structure.…”

Section: Introductionmentioning

confidence: 99%

Recent progress in use of MXene in perovskite solar cells: for interfacial modification, work-function tuning and additive engineering

et al. 2022

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Polarity regulation for stable 2D-perovskite-encapsulated high-efficiency 3D-perovskite solar cells

Cited by 35 publications

References 46 publications

Machine‐Learning Modeling for Ultra‐Stable High‐Efficiency Perovskite Solar Cells

Machine‐Learning Modeling for Ultra‐Stable High‐Efficiency Perovskite Solar Cells

Molecular design for perovskite solar cells

Recent progress in use of MXene in perovskite solar cells: for interfacial modification, work-function tuning and additive engineering

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