Can 2D Carbon Allotropes Be Used as Photovoltaic Absorbers in Solar Harvesting Devices?

Sustainable energy solutions have led to extensive research into materials for the conversion of solar energy. Two-dimensional carbon allotropes have garnered significant attention due to their unique structural and electronic properties, which can enhance the efficiency and sustainability of solar panels. This study used several computational methods, including density functional theory, density functional tight binding, and molecular dynamics simulations, to explore the solar energy conversion capabilities of 30 different 2D carbon-based allotropes. After a thorough analysis, we found that these materials exhibited a wide range of power conversion efficiency values, from 7% to 30%, assuming complete absorption of incident light. Our research provides valuable insights into the structural and electronic properties that impact the performance of these materials in solar cell applications.