What if sunlight could be harnessed efficiently to produce a clean, renewable alternative to fossil fuels? A breakthrough by researchers at Tohoku University and the University of Science, Vietnam National University–Ho Chi Minh City (VNU-HCM) may bring this vision closer to reality.

The research team has identified key factors that make certain two-dimensional (2D) Janus heterobilayers ideal for green energy conversion. Among the materials studied, a heterobilayer composed of WSâ‚‚ and SMoSe demonstrated a remarkable solar-to-hydrogen conversion efficiency of 16.62%—outperforming most current materials, which typically fall below 15%.

Published in ACS Applied Energy Materials, the study centers on photocatalytic water splitting, a process that uses sunlight to separate water into hydrogen and oxygen. The hydrogen produced in this way can be used to power vehicles and homes, offering a clean energy source that emits no greenhouse gases. However, current photocatalytic materials often suffer from low efficiency and rapid recombination of charge carriers, limiting their practical use.

Led by Nguyen Tuan Hung, assistant professor at Tohoku University’s Frontier Research Institute for Interdisciplinary Science (FRIS), and Vu Thi Hanh Thu, associate professor at VNU-HCM, the team examined 20 different combinations of Janus and transition-metal dichalcogenide (TMDC) materials. Their findings confirm that Janus heterobilayers hold great promise for improving photocatalytic performance.

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Unlike conventional 2D materials, Janus TMDCs have different chalcogen atoms on each side, creating built-in dipoles and strong internal electric fields. These natural electric fields enhance the separation of electrons and holes produced by sunlight, improving charge transport and significantly increasing photocatalytic efficiency.

By studying how atoms are arranged within these materials, the researchers developed a framework for identifying optimal configurations for solar-powered water splitting.

"Combining TMDCs with Janus layers is like working with LEGO pieces—you can explore nearly endless configurations. Our method allows us to pinpoint the most effective combinations quickly and precisely," said first author Nguyen Tran Gia Bao of VNU-HCM.

Nguyen Tuan Hung emphasized the broader impact: "Our findings provide a new direction for sustainable hydrogen production, contributing to environmental protection and energy security. We aim to explore additional material combinations to identify the most sustainable solutions available."

This advancement represents a promising step toward efficient, solar-powered hydrogen production and a cleaner energy future.