Research Progress of Halide Perovskite Materials for Photovoltaic Applications
A special issue of Materials (ISSN 1996-1944). This special issue belongs to the section "Energy Materials".
Deadline for manuscript submissions: 20 March 2026 | Viewed by 433
Special Issue Editors
Interests: electronic structure calculations; Ab initio and classical molecular dynamics simulations; monte carlo simulations; investigation of ground- and excited-state properties of halide perovskites; simulations and analysis of the vibrational spectra of molecules and materials such as amino acids and molecular crystals
Interests: perovskite materials; material characterization; nanotechnology; surface characterization; nanomaterials; thin-film deposition; scanning probe microscopy; x-ray photoelectron spectroscopy
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Special Issue Information
Dear Colleagues,
In recent years, organic–inorganic halide perovskites have garnered significant attention due to their remarkable photovoltaic performance. These materials possess a range of exceptional properties, including tunable band gaps, low exciton binding energies, long charge carrier recombination lifetimes, and defect tolerance. Collectively, these features make them outstanding candidates for solar cell applications.
Despite their exceptional properties, several challenges must be addressed for these materials to meet global market demands. One significant issue is long-term stability, which is affected by factors such as light-induced degradation, humidity, phase instability, and instability in perovskite layers, ETMs, HTMs, electrodes, and their interfaces. Another concern is the toxicity of Pb2+. Additionally, continuous efforts are needed to improve the power conversion efficiency of perovskite devices.
Electronic structure calculations and molecular dynamics studies within computational materials science have been instrumental in exploring the intricacies and fundamental nature of various phenomena associated with halide perovskites. Understanding the laws and mechanisms that govern their exceptional properties could lead to the development of devices that combine all the desirable features while avoiding unwanted ones.
This Special Issue aims to bring together research papers, short communications, perspectives, and review articles focusing on understanding the phenomena that contribute to the exceptional performance of halide perovskites in photovoltaic applications. Submissions may include experimental and computational studies, whether combined or separate. Additionally, studies on novel fabrication techniques and innovative device designs are welcome to provide a comprehensive overview of the state of the art in the field.
Dr. Ariadni Boziki
Dr. Jérémy Hieulle
Guest Editors
Manuscript Submission Information
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