Role of the Adsorption of Alkali Cations on Ultrathin $n$-Layers of Two-dimensional Perovskites

• Main Authors: Ribeiro, Israel C, Moraes, Pedro Ivo R, Bittencourt, Albert F. B, Da Silva, Juarez L. F
• Format: Journal Article
• Language: English
• Published: 20.08.2024
• Subjects: Physics - Materials Science; Physics - Mesoscale and Nanoscale Physics

Metal-halide semiconductors have great potential for real-life photovoltaic applications; however, surface defects induce several challenges to the thermodynamic stability. Here, we employed density functional theory calculations within van der Waals corrections (D3) to investigate the role of monov...