Two-dimensional perovskites: Impacts of species, components, and properties of organic spacers on solar cells

Cao, Qingli; Li, Pengwei; Chen, Wei; Zang, Shuang‐Quan; Li, Han; Zhang, Yiqiang; Song, Yanlin

doi:10.1016/j.nantod.2022.101394

Cited by 84 publications

(73 citation statements)

References 158 publications

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“…Thus, having uncovered the octahedral tilting, defect tolerance, bandgap reduction, and stabilization mechanism, these newly designed mixed 2D‐HOIPs have shown optimal stability and favourable electronic properties for commercialized PSC. Plenty of room is available to study numerous 2D‐perovskites with suitable lead replacements and bulky organic spacer cations 100 . The resulting structural design can be investigated theoretically for functional construction of light‐absorbing perovskites layer in solar cell, aiming for high‐performance devices.…”

Section: Discussionmentioning

confidence: 99%

“…Plenty of room is available to study numerous 2D-perovskites with suitable lead replacements and bulky organic spacer cations. 100 The resulting structural design can be investigated theoretically for functional construction of light-absorbing perovskites layer in solar cell, aiming for high-performance devices. The design of organic spacer, 2D crystal regulation, moisture resistance, defect condition, and charge-carrier transport properties can be optimized to achieve highly efficient and robust perovskites solar cells.…”

Section: Discussionmentioning

confidence: 99%

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Theoretical investigation of octahedral tilting and bandgap non‐linearity in monolayer Ruddlesden‐Popper A ₂ Pb _1‐x Ge _x I ₄ perovskites

Javed

Benkraouda

Amrane

2022

Intl J of Energy Research

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Summary 2D Ruddlesden‐Popper (RP) perovskites (R‐NH3)2An−1BnX3n+1 with tailorable photovoltaic features of low toxicity, reduced dimensionality, and defect tolerance hold promise to overcome the main constraints of perovskite solar cells (PSCs). A systematic investigation of the structural and electronic properties of pure and mixed (R‐NH3)2Pb1−xGexI4 systems was performed with and without spin‐orbit coupling (SOC), by using density functional theory (DFT). The organic spacer cations (R‐NH3+)2 of methylammonium (MA‐CH3NH3+) and Phenylethyl ammonium (PEA‐C6H5[CH2]2NH3+) with x = 0.0, 0.25, 0.50, 0.75, 1.0, resulted in the compositionally modified 32‐permutations by systematically substituting the inorganic cations. Short‐range ordering has categorized all studied compositions of (R‐NH3)2Pb0.50Ge0.50I4 into column and battenberg schemes depending on the Ge defect site. The competing effects of octahedral tilting and lattice distortion with bandgap bowing and SOC, across Pb‐Ge compositional systems, provide a systematic strategy to tune bandgaps. By controlling the cations' composition, these mixed 2D‐perovskites outlined the strategy to achieve the desired bandgap and band positions. A rational design approach of low dimensional perovskites was adopted to tune the electronic properties through the spacer and inorganic cation engineering. Our findings expose the scope of monolayer‐based systems as an ideal choice of absorber for the bottom sub‐cell in all‐perovskites 2D‐3D tandem solar cell, harvesting light from visible (2.4 eV) up to infrared (1.2 eV) in the solar spectrum with features of defect tolerance, quantum and dielectric confinement, low bandgap, low effective masses, and high mobility.

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Section: Discussionmentioning

confidence: 99%

Section: Discussionmentioning

confidence: 99%

Theoretical investigation of octahedral tilting and bandgap non‐linearity in monolayer Ruddlesden‐Popper A ₂ Pb _1‐x Ge _x I ₄ perovskites

Javed

Benkraouda

Amrane

2022

Intl J of Energy Research

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“…DFT calculations show that the −SH and −NH 3 + groups of cysteamine can occupy organic vacancies and undergo charge interactions with the insufficiently coordinated Pb 2+ defects and PbI 3 − antisite defects (Figure 4d) [71] . Some other protonated ammonium compounds, such as methylammonium acetate (MAAc), 4‐phosphonobutane‐1‐ammonium, and 5‐ammonium valeric acid (5‐AVA + ), have also shown an excellent ability to regulate the morphology and phase purity of perovskite films [72–74] …”

Section: Functional Construction Of Different Structural Aminesmentioning

confidence: 99%

“…[71] Some other protonated ammonium compounds, such as methylammonium acetate (MAAc), 4-phosphonobutane-1-ammonium, and 5-ammonium valeric acid (5-AVA + ), have also shown an excellent ability to regulate the morphology and phase purity of perovskite films. [72][73][74] In addition to offering a different passivation, protonated linear amines can also be used to regulate the dimension of perovskites. [75] Here, the concentration of amines is a decisive factor.…”

Section: Protonationmentioning

confidence: 99%

From Structural Design to Functional Construction: Amine Molecules in High‐Performance Formamidinium‐Based Perovskite Solar Cells

Tang

et al. 2022

Angewandte Chemie

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Formamidinium (FA) based perovskites are considered as one of the most promising light‐absorbing perovskite materials owing to their narrower band gap and better thermal stability compared to conventional methylammonium‐based perovskites. Constant improvement by using various additives stimulates the potential application of these perovskites. Amine molecules with different structures have been widely used as typical additives in FA‐based perovskite solar cells, and decent performances have been achieved. Thus, a systematic review focusing on structural regulation and functional construction of amines in FA‐based perovskites is of significance. Herein, we analyze the construction mechanism of different structural amines on the functional perovskite crystals. The influence of amine molecules on specific perovskite properties including defect conditions, charge transfer, and moisture resistance are evaluated. Finally, we summarize the design rules of amine molecules for the application in high‐performance FA‐based perovskites and propose directions for the future development of additive molecules.

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“…12 The symmetrical 3D-based PSCs possess high PCE 13 and poor stability. 14 A high charge transport in the 2D unsymmetrical perovskite is desirable for PSCs. Short chains 10 or π-conjugated heterocycles of the additive can be used to prepare 2D unsymmetrical perovskite.…”

Section: Introductionmentioning

confidence: 99%

BT-MA_0.6FA_0.4PbI_3–xCl_x Unsymmetrical Perovskite for Solar Cells with Superior Stability and PCE over 23%

Huang

Chen

et al. 2022

ACS Appl. Energy Mater.

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Combining superior stability and high power conversion efficiency (PCE) is a challenge in 3D (three-dimensional) and 2D (two-dimensional) perovskite solar cell (PSC) research. Mitigating the limitations of the symmetrical 3D structure and 2D charge transmissive channel has also not been achieved. Analogous 2D unsymmetrical perovskite structure is an excellent strategy to establish a balance between stability and PCE. Here, the BT (1,2,4,5-benzenetetramine tetrahydrochloride)-MA 0.6 FA 0.4 PbI 3−x Cl x analogous 2D unsymmetrical perovskite film is applied to improve the PCE and stability of PSCs. The BT groups substitute the formamidinium and methylammonium ions, interact with lead trihalide to form a bond, and prevent the formation of vacancy traps from amino groups. The high electron density and extensive delocalized electrons of π-conjugated heterocycles of BT enhance charge transport and separation. The chloride from BT provides a rich halogen environment, which further improves the quality of the perovskite film. The BT-MA 0.6 FA 0.4 PbI 3−x Cl x PSC exhibits superior PCE and stability, simultaneously. The champion PCE is up to 23.33%, which is also a record PCE for MAPbI 3−x Cl x PSCs. Compared with the pristine MA 0.6 FA 0.4 PbI 3−x Cl x PSC, the stability of the optimized device is improved by 10−20% under different conditions. The enhanced performance is ascribed to the stable unsymmetrical structure, excellent charge transport, and high quality of the perovskite film.

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Two-dimensional perovskites: Impacts of species, components, and properties of organic spacers on solar cells

Cited by 84 publications

References 158 publications

Theoretical investigation of octahedral tilting and bandgap non‐linearity in monolayer Ruddlesden‐Popper A ₂ Pb _1‐x Ge _x I ₄ perovskites

Theoretical investigation of octahedral tilting and bandgap non‐linearity in monolayer Ruddlesden‐Popper A ₂ Pb _1‐x Ge _x I ₄ perovskites

From Structural Design to Functional Construction: Amine Molecules in High‐Performance Formamidinium‐Based Perovskite Solar Cells

BT-MA_0.6FA_0.4PbI_3–xCl_x Unsymmetrical Perovskite for Solar Cells with Superior Stability and PCE over 23%

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Two-dimensional perovskites: Impacts of species, components, and properties of organic spacers on solar cells

Cited by 84 publications

References 158 publications

Theoretical investigation of octahedral tilting and bandgap non‐linearity in monolayer Ruddlesden‐Popper A 2 Pb 1‐x Ge x I 4 perovskites

Theoretical investigation of octahedral tilting and bandgap non‐linearity in monolayer Ruddlesden‐Popper A 2 Pb 1‐x Ge x I 4 perovskites

From Structural Design to Functional Construction: Amine Molecules in High‐Performance Formamidinium‐Based Perovskite Solar Cells

BT-MA0.6FA0.4PbI3–xClx Unsymmetrical Perovskite for Solar Cells with Superior Stability and PCE over 23%

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Theoretical investigation of octahedral tilting and bandgap non‐linearity in monolayer Ruddlesden‐Popper A ₂ Pb _1‐x Ge _x I ₄ perovskites

Theoretical investigation of octahedral tilting and bandgap non‐linearity in monolayer Ruddlesden‐Popper A ₂ Pb _1‐x Ge _x I ₄ perovskites

BT-MA_0.6FA_0.4PbI_3–xCl_x Unsymmetrical Perovskite for Solar Cells with Superior Stability and PCE over 23%