Electronic structure of MAPbI3 and MAPbCl3: importance of band alignment

Caputo, Marco; Cefarin, Nicola; Radivo, Andrea; Demitri, Nicola; Gigli, Lara; Plaisier, Jasper R.; Panighel, Mirco; Santo, Giovanni Di; Moretti, Sacha; Giglia, Angelo; Polentarutti, Maurizio; Angelis, Filippo De; Mosconi, Edoardo; Umari, Paolo; Tormen, Massimo; Goldoni, Andrea

doi:10.1038/s41598-019-50108-0

Cited by 73 publications

(45 citation statements)

References 52 publications

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“…Here, the negative CPD contrast could be explained by a higher WF in PbI 2 as compared to the 3D perovskite due to its larger bandgap and p-type characteristics, 137,[147][148][149] in line with previous observations. 150,151 The map of the GBP sample (Fig.…”

Section: Energy and Environmental Science Accepted Manuscriptsupporting

confidence: 90%

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Two birds with one stone: dual grain-boundary and interface passivation enables >22% efficient inverted methylammonium-free perovskite solar cells

Gharibzadeh

Faßl

Hossain

et al. 2021

Energy Environ. Sci.

219

205

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Section: Energy and Environmental Science Accepted Manuscriptsupporting

confidence: 90%

“…14,68 Similar shifts of the Pb 4f binding energies have previously been observed when changing the halide, i.e. for MAPbCl 3 and PbCl 2 as compared to MAPbI 3 and PbI 2 , 137,138 possibly due to the higher electronegativity of Cl as compared to I.…”

Section: Energy and Environmental Science Accepted Manuscriptsupporting

confidence: 73%

Two birds with one stone: dual grain-boundary and interface passivation enables >22% efficient inverted methylammonium-free perovskite solar cells

Gharibzadeh

Faßl

Hossain

et al. 2021

Energy Environ. Sci.

219

205

View full text Add to dashboard Cite

show abstract

“…S19, ESI †). Here, the negative CPD contrast could be explained by a higher WF in PbI 2 as compared to the 3D perovskite due to its larger bandgap and p-type characteristics, 137,[147][148][149] in line with previous observations. 150,151 The map of the GBP sample (Fig.…”

Section: Papersupporting

confidence: 90%

Two Birds with One Stone: Dual Grain-Boundary and Interface Passivation Enables > 22% Efficient Inverted Methylammonium-Free Perovskite Solar Cells

Faßl

Paetzold

Hossain

et al. 2021

Proceedings of the nanoGe Fall Meeting 2021

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“…[21] The minor shifts in the Pb 4f spectrum fall within the region of the instrumental error (around 0.1 eV). [22] Overall, the XPS spectra of the Cldoped samples overlap with the one of the pure MAPbI 3 , indicating that the doping did not alter the overall electronic structure. Considering Cl 2p, no significant signal of Cl could be detected for the Cl-doped NCs.…”

Section: Morphology Structure and Composition Of Mapbi 3 Ncsmentioning

confidence: 86%

Experimental Evidence of Chloride‐Induced Trap Passivation in Lead Halide Perovskites through Single Particle Blinking Studies

Jin

Steele

Cheng

et al. 2021

Advanced Optical Materials

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make these materials great candidates for photovoltaic (PV) applications. In a decade, the power conversion efficiency (PCE) of perovskite solar cells (PSCs) has swiftly climbed from 3.8% in 2009 [2] to 25.2%. [3] However, poor long-term stability and high defect densities are still the two issues hindering PSC commercialization. [4] Compared to the defect densities of traditional semiconductors, such as, Si (≈10 8 cm -3 ), CdTe (10 13 -10 16 cm -3 ), CIGS (cupper indium gallium selenide 10 11 -10 15 cm -3 ), GaN (≈5 × 10 15 cm -3 ), and GaAs (10 13 -10 15 cm -3 ), solution-processed polycrystalline OMHPs exhibit slightly higher defect densities (10 16 -10 17 cm -3 ), however, monocrystalline perovskites exhibit a significantly improved structural quality and subsequent lower amount of densities (10 9 -10 11 cm -3 ). [5] Although the majority of structural defects, with energies just above or below the conduction band and valence band, are known not to cause carrier trapping, the main action point for improving PSC performance is controlling harmful defect-associated charge carrier traps with energies within the bandgap. These traps result in efficiency losses by nonradiative recombination. [5,6] Despite the use of sophisticated synthetic techniques and strictly controlled reaction conditions, the formation of harmful native defects during OMHP crystal growth cannot be avoided. [5,7] For example, MAPbI 3 exhibits high trap densities in both polycrystalline (10 16 -10 21 cm -3 ) and single crystalline (10 10 cm -3 ) morphologies. [5] Still, MAPbI 3 is the most popular material explored for PSCs due to its suitable bandgap (≈1.5 eV) compared to its chloride and bromide counterparts. [8] Much attention has been paid to investigate and mitigate the harmful defects, such as interstitials, [8] in MAPbI 3 perovskites. So far, density function and first principle calculations are the most powerful and direct tools for exploring the origin of traps and predicting possible solutions to decrease trap densities. [8,9] For example, in lead iodide perovskite materials, iodide interstitials are regarded as potential deep traps by first principle calculations, and it has been reported that bromine and chlorine doping can effectively neutralize these iodine traps. [8] Although iodide vacancies have been established as nonharmful defectsResearch into organic-inorganic lead halide perovskites as photoactive material in solar cells and other electro-optical devices has made immense progress in recent years. However, efficiency losses resulting from deep traps associated with framework defects, still limit the performance of perovskite semiconductors. Defect passivation by the incorporation of dopants, such as chloride doping in methylammonium lead iodide (MAPbI 3 ) perovskite, is stated as one of the most efficient ways to reduce trap densities. Commonly used parameters like improved photoluminescence (PL) quantum yields and extended PL lifetimes provide nonconclusive experimental evidence on trap density suppression by chloride ...

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Electronic structure of MAPbI3 and MAPbCl3: importance of band alignment

Cited by 73 publications

References 52 publications

Two birds with one stone: dual grain-boundary and interface passivation enables >22% efficient inverted methylammonium-free perovskite solar cells

Two birds with one stone: dual grain-boundary and interface passivation enables >22% efficient inverted methylammonium-free perovskite solar cells

Two Birds with One Stone: Dual Grain-Boundary and Interface Passivation Enables > 22% Efficient Inverted Methylammonium-Free Perovskite Solar Cells

Experimental Evidence of Chloride‐Induced Trap Passivation in Lead Halide Perovskites through Single Particle Blinking Studies

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