Perovskite, as an emerging photovoltaic cell material, has been in dramatic development during recent years, due to its easy large-scale production, flexible preparation, and low manufacturing cost. However, poor environmental stability and lead content are two bottlenecks restricting its industrial application.

Although perovskite materials synthesis technology has made great progress through doping heteroatoms and constructing heterojunctions, defects in the process of material preparation cause structural deformation, leading to the decline of photoelectric conversion efficiency. Therefore, developing new perovskite structures to improve the intrinsic stability of photovoltaic cell materials is still a top priority, both in material synthesis methods and theoretical calculations.

The aim of this Special Issue is to cover the state-of-the-art studies on the design of new robust perovskite materials for photovoltaic cells in the view of theoretical calculations and experimental synthesis. We welcome both original research and review articles.

Potential topics include but are not limited to the following:

• Developing new surface passivation methods to improve stability
• Design and screening of new perovskite materials without or with less Pb
• Developing new perovskite materials, such as low dimensional perovskite, anti-perovskite, chiral perovskite, etc
• Building a life evaluation model of materials in the real environment based on the testing data in the laboratory
• Structure-property relationship between material structure and environmental stability
• Developing new material screening methods, such as machine learning assisted development, high throughput calculation, etc
• Developing new theoretical simulation methods to eliminate the size difference between experimental and theoretical calculations
• Design of new electron and hole transport layers based on the bonding strength and electron transport characteristics between interfaces
• Developing new additive agents to improve the stability of perovskite materials
• Perovskite nanocrystals and their superlattices for optoelectronics devices
• Developing new crystalline porous materials with tailor-made functions for perovskite solar cells
• Strain analysis and engineering in halide perovskite photovoltaics