The domination of ionic conductivity in tetragonal phase of the organometal halide perovskite CH3NH3PbI3-xClx

Głowienka, Damian; Miruszewski, Tadeusz; Szmytkowski, Jędrzej

doi:10.1016/j.solidstatesciences.2018.05.009

Cited by 18 publications

(12 citation statements)

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“…The structures show tetragonal phase with the I4cm symmetry and the highest intensity for the (110) diffraction peak. [53] A very low amount of secondary PbI 2 phase is also observed, which is related to negligible diffraction peak at 13°. The morphology of MAPbI 3 on the glass is analyzed with AFM measurements (see Figure S5).…”

Section: Resultsmentioning

confidence: 96%

“…Figure (a) shows the XRD results of MAPbI 3 for three thicknesses with negligible differences in respect to three measured samples. The structures show tetragonal phase with the I4cm symmetry and the highest intensity for the (110) diffraction peak . A very low amount of secondary PbI 2 phase is also observed, which is related to negligible diffraction peak at 13°.…”

Section: Resultsmentioning

confidence: 99%

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Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH₃NH₃PbI₃

et al. 2019

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An experimental and theoretical investigation is reported to analyze the relation between the structural and absorption properties of CH3NH3PbI3 in the tetragonal phase. More than 3000 geometry optimizations were performed to reveal the structural disorder and identify structures with the lowest energies. The electronic structure calculations provide an averaged band gap of 1.674 eV, which is in excellent agreement with the experimental value of about 1.6 eV. The simulations of the absorption spectrum for three representative structures with lowest energy reproduced the absorption shoulders observed in the experimental spectra. These shoulders are assigned to excitations having similar orbital characters and involving transitions between hybridized 6s(Pb)/5p(I) orbitals and 6p(Pb) orbitals. The geometries of the three structures were analyzed and the effects of the inorganic frame and the CH3NH3+ cations on the absorption properties were estimated. It was found that both changes in the inorganic frame and the CH3NH3+ cations orientations impact the absorption spectra, by modifying the transitions energies and intensities. This highlights the role of CH3NH3+ cation in influencing the absorption properties of CH3NH3PbI3 and demonstrates that CH3NH3+ cation is one of the key elements explaining the broad and nearly constant absorption spectrum in the visible range.

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Section: Resultsmentioning

confidence: 96%

Section: Resultsmentioning

confidence: 99%

Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH₃NH₃PbI₃

et al. 2019

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“…While much progress has been made toward understanding the mechanisms and kinetics of light-induced phase separation, − the diffusion of halides in MAPb(Br x I 1– x ) 3 without illumination is not as well understood. Many studies have focused on ion/vacancy movement in response to an electric field, ,− rather than on ion/vacancy movement down a concentration gradient. , Recent work has elucidated interdiffusion behavior of bromide and chloride in CsPb(Br x Cl 1– x ) 3 nanowires; , however, interdiffusion in Br–I systems has been less explored. Halide interdiffusion constants were previously extracted from CsPbBr 3 –MAPbI 3 and PbBr 2 –MAPbI 3 heterostructures, where distances travelled by the halides in a given time enabled the calculation of the diffusion constant. , However, halide interdiffusion in CsPbBr 3 –MAPbI 3 and PbBr 2 –MAPbI 3 may differ from that in pure MAPbX 3 because of differences between the phase diagrams of the systems.…”

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confidence: 99%

Phase Stability and Diffusion in Lateral Heterostructures of Methyl Ammonium Lead Halide Perovskites

Kennard

Dahlman

Nakayama

et al. 2019

ACS Appl. Mater. Interfaces

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Mixed-halide hybrid organic inorganic perovskites have band gaps that span the visible spectrum making them candidates for optoelectronic devices. Diffusion of the halide atoms in methyl ammonium lead iodide (MAPbI3) and its alloys with bromine has been observed in both dark and under illumination. While halide transport upon application of electric fields has received much attention, less is known regarding bromide and iodide interdiffusion down concentration gradients. This work provides an upper bound on the bromide-iodide interdiffusion coefficient Di, in thin films of (MAPbBrxI1-x)3 using a diffusion couple of a lateral heterostructure. The upper bound of Di was extracted from changes in the interface profiles of the heterostructures upon exposure to heat. The stability of thoroughly-heated interfacial profiles suggests that the miscibility gap extends to higher temperatures and to a higher fractional composition of bromine than predicted by theory. The results of this work provide guidance for compositions of thermally stable heterostructures of hybrid halide perovskites.

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“…47 The tetragonal to cubic transition has also been described as a disorder-order transition in several perovskites; 59,60 so, a similar effect on resistivity cannot be ruled out. In fact, this uncommon behavior for a metal-semiconducting crossover with temperature was observed by Głowienka et al 61 for dark conductivity, σ, in MAPbI 3−x Cl x thin films between 280 and 340 K and by Sveinbjornsson et al 62 between 293 and 353 K under illumination in MAPbI 3 crystals.…”

Section: Resultsmentioning

confidence: 67%

Effect of Pristine Graphene on Methylammonium Lead Iodide Films and Implications on Solar Cell Performance

Redondo-Obispo

Serafini

Climent‐Pascual

et al. 2021

ACS Appl. Energy Mater.

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The relatively low stability of solar cells based on hybrid halide perovskites is the main issue to be solved for the implementation in real life of these extraordinary materials. Degradation is accelerated by temperature, moisture, oxygen, and light and mediated by halide easy hopping. The approach here is to incorporate pristine graphene, which is hydrophobic and impermeable to gases and likely limits ionic diffusion while maintaining adequate electronic conductivity. Low concentrations of few-layer graphene platelets (up to 24 × 10 –3 wt %) were incorporated to MAPbI 3 films for a detailed structural, optical, and transport study whose results are then used to fabricate solar cells with graphene-doped active layers. The lowest graphene content delays the degradation of films with time and light irradiation and leads to enhanced photovoltaic performance and stability of the solar cells, with relative improvement over devices without graphene of 15% in the power conversion efficiency, PCE. A higher graphene content further stabilizes the perovskite films but is detrimental for in-operation devices. A trade-off between the possible sealing effect of the perovskite grains by graphene, that limits ionic diffusion, and the reduction of the crystalline domain size that reduces electronic transport, and, especially, the detected increase of film porosity, that facilitates the access to atmospheric gases, is proposed to be at the origin of the observed trends. This work demonstrated how the synergy between these materials can help to develop cost-effective routes to overcome the stability barrier of metal halide perovskites, introducing active layer design strategies that allow commercialization to take off.

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The domination of ionic conductivity in tetragonal phase of the organometal halide perovskite CH3NH3PbI3-xClx

Cited by 18 publications

References 54 publications

Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH₃NH₃PbI₃

Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH₃NH₃PbI₃

Phase Stability and Diffusion in Lateral Heterostructures of Methyl Ammonium Lead Halide Perovskites

Effect of Pristine Graphene on Methylammonium Lead Iodide Films and Implications on Solar Cell Performance

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The domination of ionic conductivity in tetragonal phase of the organometal halide perovskite CH3NH3PbI3-xClx

Cited by 18 publications

References 54 publications

Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH3NH3PbI3

Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH3NH3PbI3

Phase Stability and Diffusion in Lateral Heterostructures of Methyl Ammonium Lead Halide Perovskites

Effect of Pristine Graphene on Methylammonium Lead Iodide Films and Implications on Solar Cell Performance

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Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH₃NH₃PbI₃

Influence of Orientational Disorder on the Optical Absorption Properties of the Hybrid Metal‐Halide Perovskite CH₃NH₃PbI₃