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Molecular Insights into the Stability and Degradation of Perovskite Solar Cells

A special issue of International Journal of Molecular Sciences (ISSN 1422-0067). This special issue belongs to the section "Materials Science".

Deadline for manuscript submissions: 28 February 2027 | Viewed by 3106

Editor


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Guest Editor
1. Laboratory of Advanced Materials and Process Engineering, Physics Department, Faculty of Sciences, Ibn Tofail University, Kenitra 14000, Morocco
2. Institut de Disseny per a la Fabricació i Producció Automatitzada, Universitat Politècnica de València, 46022 València, Spain
Interests: intrinsic and extrinsic degradation mechanisms in perovskite materials; ion migration and defect dynamics in halide perovskites; photo-induced and thermal degradation pathways; stability of perovskite–electrode and perovskite–transport layer interfaces; moisture and oxygen sensitivity in perovskite solar cells; phase segregation in mixed-halide perovskites; role of compositional engineering in stability enhancement

Special Issue Information

Dear Colleague,

Perovskite solar cells (PSCs) represent a revolutionary photovoltaic technology, distinguished by their remarkable efficiency and potential for low-cost production. However, the path to their commercial viability is impeded by insufficient long-term stability. Understanding and mitigating the degradation of PSCs at the molecular level is, therefore, a central challenge in the field.

For this Special Issue, entitled "Molecular Insights into the Stability and Degradation of Perovskite Solar Cells", we aim to collate cutting-edge research that delves into the molecular and atomistic processes governing PSC stability. We invite the submission of contributions that explore the fundamental chemical reactions, ion migration, and molecular interactions that underpin degradation under environmental stressors such as light, heat, moisture, and oxygen. A key focus is on the use of molecular-scale strategies to enhance stability, including the rational design of perovskite compositions, advanced passivation molecules, and interface-modifying agents.

We welcome the submission of original research, reviews, and perspectives that address topics including, but not limited to, the following:

  • Molecular Degradation Mechanisms: Photo-oxidation, ion diffusion, phase segregation, and defect chemistry.
  • Molecular Design:Novel precursor molecules, additives, passivants, and interface layers.
  • Advanced Molecular Characterization: In situ/operando spectroscopic and microscopic studies of degradation pathways.
  • Computational Modeling: Atomistic simulations of degradation processes and material stability.
  • Interface Engineering: Molecular-level understanding and control of interfacial reactions and stability.

By providing a platform for studies that bridge fundamental molecular understanding with device performance, this Special Issue seeks to accelerate the development of durable, high-performance perovskite photovoltaics.

Prof. Dr. Amal Bouich
Guest Editor

Manuscript Submission Information

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Submitted manuscripts should not have been published previously, nor be under consideration for publication elsewhere (except conference proceedings papers). All manuscripts are thoroughly refereed through a single-anonymized peer-review process. A guide for authors and other relevant information for submission of manuscripts is available on the Instructions for Authors page. International Journal of Molecular Sciences is an international peer-reviewed open access semimonthly journal published by MDPI.

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Keywords

  • perovskite
  • thin films
  • solar cells
  • PCE, stability
  • molecular structure evolution (perovskite)
  • perovskite precursor molecular design

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Published Papers (2 papers)

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Research

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12 pages, 1977 KB  
Article
Solar Cells Based on PTB7-Fx: PC71BM Active Layer Processed with Two Types of Solvent Additives and Sputtered Ag Top-Electrode
by Georgy Grancharov, Rositsa Gergova, Georgi Popkirov, Hristosko Dikov and Marushka Sendova-Vassileva
Int. J. Mol. Sci. 2026, 27(9), 4064; https://doi.org/10.3390/ijms27094064 - 1 May 2026
Cited by 1 | Viewed by 546
Abstract
Organic-type solar cells containing an active layer of block copolymer donor PTB7-Fx (x = 0, 20, and 100), based on benzo [1,2-b:4,5-b’]dithiophene and variably fluorinated thieno [3,4-b]thiophene units, and fullerene acceptor [6,6]phenyl-C71-methylbutyrate, were constructed. The active layer thin film of the [...] Read more.
Organic-type solar cells containing an active layer of block copolymer donor PTB7-Fx (x = 0, 20, and 100), based on benzo [1,2-b:4,5-b’]dithiophene and variably fluorinated thieno [3,4-b]thiophene units, and fullerene acceptor [6,6]phenyl-C71-methylbutyrate, were constructed. The active layer thin film of the solar cells was obtained from a dichlorobenzene solution at an established concentration via spin-coating of the donor–acceptor mixture in the presence of solvent additives such as 3% diiodooctane and 1% triethyl phosphate. Organic photovoltaic elements with normal device architecture were prepared on glass substrates using an indium tin oxide anode, a spin-coated hole transporting layer of poly(ethylene dioxythiophene):polystyrenesulfonate, the aforementioned active layer, followed by an electron transporting layer of zinc oxide nanoparticles, and finally a magnetron sputtered silver (Ag) top-electrode. The optical properties, thin film morphology, and the thickness of the active layers were investigated. Additionally, current density–voltage characteristics and impedance spectra of photovoltaic devices were measured. It was found that PTB7-Fx:PC71BM-based solar cells processed in the presence of two types of solvent additives, diiodooctane and triethyl phosphate, with a sputtered Ag top-electrode display similar absorption and quantum efficiency spectra, as well as comparable current density–voltage characteristics and efficiencies to the same devices fabricated without additives. The diiodooctane solvent additive preferably dissolves the fullerene component and has a positive effect on fill factor enhancement, impedance spectra improvement, and amelioration in charge carrier transport and collection, whereas the triethyl phosphate solvent additive preferentially dissolves the copolymer donor and has a more pronounced impact on the refined morphology of the thin film active layers. Full article
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Review

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36 pages, 2064 KB  
Review
Stability and Degradation of Perovskite Solar Cells in Space Environments: Mechanisms and Protocols
by Aigerim Akylbayeva, Yerzhan Nussupov, Zhansaya Omarova, Yevgeniy Korshikov, Abdurakhman Aldiyarov and Darkhan Yerezhep
Int. J. Mol. Sci. 2026, 27(8), 3459; https://doi.org/10.3390/ijms27083459 - 12 Apr 2026
Cited by 3 | Viewed by 2032
Abstract
Perovskite solar cells (PSCs) have quickly achieved certified energy conversion efficiency reaching a certified record of 27.3% for single-junction cells, while having a low mass, thin-film form factor and high specific power, which are attractive for space energy systems. However, their long-term reliability [...] Read more.
Perovskite solar cells (PSCs) have quickly achieved certified energy conversion efficiency reaching a certified record of 27.3% for single-junction cells, while having a low mass, thin-film form factor and high specific power, which are attractive for space energy systems. However, their long-term reliability in extraterrestrial environments is not adequately ensured by terrestrial qualification routes, and standardized space-related test protocols remain insufficiently developed. This review critically summarizes the current understanding of the degradation of PSCs under the influence of key environmental factors in space—ionizing and non-ionizing radiation, thermal vacuum exposure and thermal cycling, and ultraviolet radiation AM0, as well as atmospheric oxygen in low orbits. The central task of the work is to develop and justify the need to create specialized PSCs test protocols for space applications, since existing ground standards do not reflect the multifactorial nature and extreme orbital loads. It has been shown that thermal vacuum accelerates ion migration, interphase reactions, and degassing, while AM0 UV and atomic oxygen introduce additional photochemical and oxidative mechanisms of destruction; at the same time, stressors often act synergistically and are not detected by single-factor tests. Next, the limitations of the current IEC and ISOS are discussed and an approach to their expansion is formulated through the ISOS-T-Space and ISOS-LC-Space protocols, which integrate high vacuum, AM0 lighting, extended temperature ranges and controlled particle irradiation. It is concluded that the development and interlaboratory validation of such space-oriented protocols is a key condition for the correct qualification of PSCs and targeted optimization of materials and interfaces to meet the requirements of space energy. Full article
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