Pressure engineering of photovoltaic perovskites

Liu, Gang; Kong, Lingping; Yang, Wenge; Mao, H. K.

doi:10.1016/j.mattod.2019.02.016

Cited by 88 publications

(84 citation statements)

References 125 publications

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“…196 Figure 13 displays the bandgaps of six different MHPs as a function of the X-M-X bond angle. 157 As observed from the figure, the bandgap decreases as this angle approaches 180 o .…”

Section: Polymorph-dependent Optoelectronic Propertiesmentioning

confidence: 62%

Polymorphism in metal halide perovskites

et al. 2021

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“…196 Figure 13 displays the bandgaps of six different MHPs as a function of the X-M-X bond angle. 157 As observed from the figure, the bandgap decreases as this angle approaches 180 o .…”

Section: Polymorph-dependent Optoelectronic Propertiesmentioning

confidence: 62%

Polymorphism in metal halide perovskites

et al. 2021

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“…Moreover, the change in the bandgap as a function of pressure presents two turning points at 6.57 and 11.18 GPa, respectively, as shown in Figure 1d. Considering that the bandgap is determined by their crystalline structure, the two discontinuities in the bandgap may be related to the structural transitions . After releasing the pressure, the absorption of optical color and spectrum revert to their original state, which indicates reversible changes of the structures.…”

Section: Resultsmentioning

confidence: 99%

Pressure‐Induced Structural Evolution and Bandgap Optimization of Lead‐Free Halide Double Perovskite (NH₄)₂SeBr₆

et al. 2020

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Lead‐free halide double perovskites (HDPs) are promising candidates for high‐performance solar cells because of their environmentally‐friendly property and chemical stability in air. The power conversion efficiency of HDPs‐based solar cells needs to be further improved before their commercialization in the market. It requires a thoughtful understanding of the correlation between their specific structure and property. Here, the structural and optical properties of an important HDP‐based (NH4)2SeBr6 are investigated under high pressure. A dramatic piezochromism is found with the increase in pressure. Optical absorption spectra reveal the pressure‐induced red‐shift in bandgap with two distinct anomalies at 6.57 and 11.18 GPa, and the energy tunability reaches 360 meV within 20.02 GPa. Combined with structural characterizations, Raman and infrared spectra, and theoretical calculations using density functional theory, results reveal that, the first anomaly is caused by the formation of a Br‐Br bond among the [SeBr6]2− octahedra, and the latter is attributed to a cubic‐to‐tetragonal phase transition. These results provide a clear correlation between the chemical bonding and optical properties of (NH4)2SeBr6. It is believed that the proposed strategy paves the way to optimize the optoelectronic properties of HDPs and further stimulate the development of next‐generation clear energy based on HDPs solar cells.

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“…External pressure and strain, as a green and facile strategy, can be applied to regulate the band gap and properties of perovskites. [ 90 ] Experimentally, the external pressure or strain can be achieved via a diamond anvil cell or growth of epitaxial thin films. Computationally, the external pressure or strain can be applied to simulations via volumetric strain, axial strain, layer mismatch, etc.…”

Section: Fundamental Structure Parameters and Properties Of Bulk Peromentioning

confidence: 99%

Theoretical Progress on the Relationship between the Structures and Properties of Perovskite Solar Cells

Wang

Tong

Zhang

et al. 2020

Advcd Theory and Sims

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Organic–inorganic lead halide perovskite solar cells have attracted great attention due to their high conversion efficiency, easy preparation, and low cost. In spite of impressive development, some fundamental scientific issues regarding perovskites have not been resolved, such as the inclusion of toxic Pb, their poor stability under moisture, oxygen, heat, and/or light conditions, and their hysteretic current–voltage behavior. In the past few years, theoretical approaches have been extensively and successfully applied to the investigation of perovskite solar cells. Here, the current theoretical progress in perovskite photovoltaic applications is summarized from a theoretical perspective, including important theoretical results in fundamental structures and properties, computational design of perovskites by high throughput calculation and machine learning, hysteresis‐related ion migration, compositional substitution and mixing, surface reconstruction, mechanisms of degradation and passivation, interface carrier recombination, and the distribution and rotation of organic cations caused polarization and domain.

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Pressure engineering of photovoltaic perovskites

Cited by 88 publications

References 125 publications

Polymorphism in metal halide perovskites

Polymorphism in metal halide perovskites

Pressure‐Induced Structural Evolution and Bandgap Optimization of Lead‐Free Halide Double Perovskite (NH₄)₂SeBr₆

Theoretical Progress on the Relationship between the Structures and Properties of Perovskite Solar Cells

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Pressure engineering of photovoltaic perovskites

Cited by 88 publications

References 125 publications

Polymorphism in metal halide perovskites

Polymorphism in metal halide perovskites

Pressure‐Induced Structural Evolution and Bandgap Optimization of Lead‐Free Halide Double Perovskite (NH4)2SeBr6

Theoretical Progress on the Relationship between the Structures and Properties of Perovskite Solar Cells

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Pressure‐Induced Structural Evolution and Bandgap Optimization of Lead‐Free Halide Double Perovskite (NH₄)₂SeBr₆