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Molecules
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Recent Developments in Perovskite-Based Functional Materials
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Recent Developments in Perovskite-Based Functional Materials

A special issue of Molecules (ISSN 1420-3049). This special issue belongs to the section "Materials Chemistry".

Deadline for manuscript submissions: closed (30 September 2023) | Viewed by 7768

Special Issue Editors

Dr. Chuang Han

E-Mail Website
Guest Editor
Faculty of Materials Science and Chemistry, China University of Geosciences, Wuhan 430074, China
Interests: design of metal halide perovskite-based hybrids for solar-driven catalysis; understanding of the structure-properties-applications interplays of semiconductor photocatalysts
Dr. Lan Yuan

E-Mail Website
Guest Editor
School of Chemistry and Chemical Engineering, Wuhan University of Science and Technology, Wuhan 430081 China
Interests: functional hybrids for photocatalytic/electrocatalytic CO2 and biomass transformation
Dr. Bidyut Kundu

E-Mail Website
Guest Editor
Department of Chemistry, University of Cincinnati, Cincinnati, OH 45221, USA
Interests: visible light promoted perovskite-based photocatalysts; comprehension of the mechanism behind perovskite oxides mediated nitrogen fixation, carbon dioxide conversion, and pollutants degradation

Special Issue Information

Dear Colleagues,

Over the past few years, the breakthroughs achieved by metal halide perovskites in the photovoltaic field have been regarded as the renaissance of perovskite-based materials. Inspired by the great success in solar cells, various applications have been extensively investigated on perovskite-based functional materials, such as light-emitting diodes, photodetectors, photocatalysis, and electrocatalysis. While the advances in currently emerging functional materials and applications related to perovskite have reached an exciting stage, understanding the structure–properties–applications interplay of perovskite-based hybrids is crucial to moving forward to the next stage. This Special Issue will assemble high-quality original research, reviews, and perspectives focused on the advances of perovskite-based materials, including, but not limited to, novel preparation methods, the unique working mechanisms and applications, and the new technology and characterization tools.

Dr. Chuang Han
Dr. Lan Yuan
Dr. Bidyut Kundu
Guest Editors

Manuscript Submission Information

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Please visit the Instructions for Authors page before submitting a manuscript. The Article Processing Charge (APC) for publication in this open access journal is 2700 CHF (Swiss Francs). Submitted papers should be well formatted and use good English. Authors may use MDPI's English editing service prior to publication or during author revisions.

Keywords

  • perovskite-based materials
  • metal halide perovskites
  • light-emitting diodes
  • photodetectors
  • photocatalysis
  • electrocatalysis
  • perovskite-based hybrids

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Published Papers (3 papers)

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Research

13 pages, 2016 KiB  
Article
Electronic, Optical, Thermoelectric and Elastic Properties of RbxCs1−xPbBr3 Perovskite
by Elmustafa Ouaaka, Mustapha Aazza, Aziz Bouymajane and Francesco Cacciola
Molecules 2023, 28(7), 2880; https://doi.org/10.3390/molecules28072880 - 23 Mar 2023
Cited by 7 | Viewed by 2312
Abstract
Inorganic halide perovskites of the type AMX3, where A is an inorganic cation, M is a metal cation, and X is a halide anion, have attracted attention for optoelectronics applications due to their better optical and electronic properties, and stability, under [...] Read more.
Inorganic halide perovskites of the type AMX3, where A is an inorganic cation, M is a metal cation, and X is a halide anion, have attracted attention for optoelectronics applications due to their better optical and electronic properties, and stability, under a moist and elevated temperature environment. In this contribution, the electronic, optical, thermoelectric, and elastic properties of cesium lead bromide, CsPbBr3, and Rb-doped CsPbBr3, were evaluated using the density functional theory (DFT). The generalized gradient approximation (GGA) in the scheme of Perdew, Burke, and Ernzerhof (PBE) was employed for the exchange–correlation potential. The calculated value of the lattice parameter is in agreement with the available experimental and theoretical results. According to the electronic property results, as the doping content increases, so does the energy bandgap, which decreases after doping 0.75. These compounds undergo a direct band gap and present an energies gap values of about 1.70 eV (x = 0), 3.76 eV (x = 0.75), and 1.71 eV (x = 1). The optical properties, such as the real and imaginary parts of the dielectric function, the absorption coefficient, optical conductivity, refractive index, and extinction coefficient, were studied. The thermoelectric results show that after raising the temperature to 800 K, the thermal and electrical conductivities of the compound RbxCs1−xPbBr3 increases (x = 0, 0.25, 0.50 and 1). Rb0.75Cs0.25PbBr3 (x = 0.75), which has a large band gap, can work well for applications in the ultraviolet region of the spectrum, such as UV detectors, are potential candidates for solar cells; whereas, CsPbBr3 (x = 0) and RbPbBr3 (x = 1), have a narrow and direct band gap and outstanding absorption power in the visible ultraviolet energy range. Full article
(This article belongs to the Special Issue Recent Developments in Perovskite-Based Functional Materials)
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10 pages, 3453 KiB  
Article
Effect of Organic Cation on Optical Properties of [A]Mn(H2POO)3 Hybrid Perovskites
by Dagmara Stefańska
Molecules 2022, 27(24), 8953; https://doi.org/10.3390/molecules27248953 - 15 Dec 2022
Cited by 3 | Viewed by 1405
Abstract
Hybrid organic–inorganic compounds crystallizing in a three-dimensional (3D) perovskite-type architecture have attracted considerable attention due to their multifunctional properties. One of the most intriguing groups is perovskites with hypophosphite linkers. Herein, the optical properties of six hybrid hypophosphite perovskites containing manganese ions are [...] Read more.
Hybrid organic–inorganic compounds crystallizing in a three-dimensional (3D) perovskite-type architecture have attracted considerable attention due to their multifunctional properties. One of the most intriguing groups is perovskites with hypophosphite linkers. Herein, the optical properties of six hybrid hypophosphite perovskites containing manganese ions are presented. The band gaps of these compounds, as well as the luminescence properties of the octahedrally coordinated Mn2+ ions associated with the 4T1g(G) → 6A1g(S) transition are shown to be dependent on the organic cation type and Goldschmidt tolerance factor. Thus, a correlation between essential structural features of Mn-based hybrid hypophosphites and their optical properties was observed. Additionally, the broad infrared luminescence of the studied compounds was examined for potential application in an indoor lighting system for plant growth. Full article
(This article belongs to the Special Issue Recent Developments in Perovskite-Based Functional Materials)
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12 pages, 3115 KiB  
Article
Synthesis, Photoluminescence and Vibrational Properties of Aziridinium Lead Halide Perovskites
by Dagmara Stefańska, Maciej Ptak and Mirosław Mączka
Molecules 2022, 27(22), 7949; https://doi.org/10.3390/molecules27227949 - 17 Nov 2022
Cited by 23 | Viewed by 3338
Abstract
Three-dimensional lead halide perovskites are known for their excellent optoelectronic properties, making them suitable for photovoltaic and light-emitting applications. Here, we report for the first time the Raman spectra and photoluminescent (PL) properties of recently discovered three-dimensional aziridinium lead halide perovskites (AZPbX3 [...] Read more.
Three-dimensional lead halide perovskites are known for their excellent optoelectronic properties, making them suitable for photovoltaic and light-emitting applications. Here, we report for the first time the Raman spectra and photoluminescent (PL) properties of recently discovered three-dimensional aziridinium lead halide perovskites (AZPbX3, X = Cl, Br, I), as well as assignment of vibrational modes. We also report diffuse reflection data, which revealed an extended absorption of light of AZPbX3 compared to the MA and FA counterparts and are beneficial for solar cell application. We demonstrated that this behavior is correlated with the size of the organic cation, i.e., the energy band gap of the cubic lead halide perovskites decreases with the increasing size of the organic cation. All compounds show intense PL, which weakens on heating and shifts toward higher energies. This PL is red shifted compared to the FA and MA counterparts. An analysis of the PL data revealed the small exciton binding energy of AZPbX3 compounds (29–56 meV). Overall, the properties of AZPbX3 are very similar to those of the well-known MAPbX3 and FAPbX3 perovskites, indicating that the aziridinium analogues are also attractive materials for light-emitting and solar cell applications. Full article
(This article belongs to the Special Issue Recent Developments in Perovskite-Based Functional Materials)
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