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ZnGeSe monolayer: water-splitting photocatalyst with ultrahigh solar conversion efficiency. | LitMetric

ZnGeSe monolayer: water-splitting photocatalyst with ultrahigh solar conversion efficiency.

Phys Chem Chem Phys

Laboratory of High-Pressure Physics and Material Science (HPPMS), Advanced Research Institute of Multidisciplinary Science, Qufu Normal University, Qufu, Shandong, 273165, China.

Published: September 2023

AI Article Synopsis

  • Hydrogen production through solar water-splitting is being investigated as a clean energy solution, and the ZnGeSe monolayer has shown promising characteristics for this purpose.* -
  • The ZnGeSe monolayer displays stable configurations with direct bandgaps between 1.23 to 1.60 eV, and its electronic structure allows for efficient charge separation, making it suitable for solar water-splitting reactions.* -
  • Its impressive solar-to-hydrogen efficiency of 32% surpasses the necessary economic threshold and indicates that it can effectively produce hydrogen and oxygen without the need for additional cocatalysts, highlighting its potential as a top-tier photocatalyst for water-splitting.*

Article Abstract

Hydrogen production through solar water-splitting offers a clean and renewable solution to tackle the ongoing issues of energy scarcity and environmental pollution. Here, the solar water-splitting performance of the ZnGeSe monolayer was explored first-principles calculations. Our calculated results reveal that the ZnGeSe monolayer embodies stable configurations and semiconducting properties with direct bandgaps ranging from 1.23 to 1.60 eV under the biaxial strain from -1% to +2%. The generated holes and electrons of the ZnGeSe monolayer are separately distributed because of the intrinsic dipole. The calculated band edges of the ZnGeSe monolayer are demonstrated to be favorable for solar water-splitting. Additionally, the ZnGeSe monolayer exhibits strong optical absorption in the whole visible region. The hydrogen and oxygen evolution reactions can be accomplished without cocatalysts. Of particular significance, the solar to hydrogen (STH) efficiency of the ZnGeSe monolayer reaches up to 32%, far exceeding the economic value (10%). In light of these hallmarks, the ZnGeSe monolayer is demonstrated as an excellent water-splitting photocatalyst.

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Source
http://dx.doi.org/10.1039/d3cp02831cDOI Listing

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