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March 19, 2026Inorganic Chemistry Frontiers1 citations

Novel pentagonal MgX 2 (X = O, S, Se, Te) monolayers: promising photocatalysts for overall water splitting and CO 2 reduction

ZXZhanyao XuSRSajid Ur RehmanYXYuan Xu

Key Points

  • This research aims to design and evaluate pentagonal MgX2 monolayers for their potential as photocatalysts.
  • Utilized first-principles calculations to model the properties of MgX2 materials.
  • Evaluated the photocatalytic performance for water splitting and CO2 reduction.
  • Identified MgX2 monolayers as promising bifunctional photocatalysts.
  • Demonstrated efficient light absorption and reactivity for both processes.

Abstract

In this work, we designed and evaluated 2D pentagonal MgX 2 (X = O, S, Se, Te) monolayers via first-principles calculations. These materials show promise as bifunctional photocatalysts for overall water splitting and selective CO 2 reduction.

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Cite This Study

Xu et al. (2026) studied this question.

synapsesocial.com/papers/69bb92df496e729e62980814https://doi.org/10.1039/d5qi02524a
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