Researchers Shivprasad S. Shastri, Antonio Cammarata, and Tomas Polcar, affiliated with the Czech Academy of Sciences, have published a study in the Journal of Materials Chemistry A, exploring the potential of novel materials for photocatalytic applications in the energy sector.
The study focuses on van der Waals heterostructures, specifically combinations of Janus PtSSe and WXY (where X and Y are sulfur, selenium, or tellurium, and X is not equal to Y). These materials are investigated for their potential to convert solar energy into chemical energy, a process that can produce clean fuels and valuable chemical products.
The researchers evaluated the redox capabilities of various heterostructure configurations by aligning the absolute band edge positions with respect to the redox potentials of hydrogen and oxygen evolution reactions (HER and OER) and CO2 reduction reactions. They also checked the stability of these photocatalyst candidates through layer binding energy calculations and ab initio molecular dynamics simulations.
The optical absorption spectra of these materials suggest good light absorption in the visible range, which is promising for practical applications. The study further explores strain engineering as a method to tune band edges and enhance the photocatalytic properties of these heterostructures.
The researchers found that specific geometric configurations of van der Waals heterostructure bilayers composed of Janus PtSSe and WSeTe show potential as photocatalysts for HER, OER, and CO2 reduction reactions. However, they also noted that systems made up of PtSSe and WSTe are not suitable for photocatalytic applications but could be explored for thermoelectric energy conversion or infrared photovoltaics.
This research highlights the potential of novel materials and advanced engineering techniques to improve the efficiency and sustainability of energy conversion processes. The findings could contribute to the development of more effective photocatalysts for solar energy conversion, as well as other energy applications.
This article is based on research available at arXiv.