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June 4, 2026Journal of Materials Chemistry A0 citations

Computational Discovery of Tetragonal MBene Phase: Diamond-Shaped Boron Lattices, Viable MAB Precursors, and Selective CO 2 Reduction

LLLinguo LuDRDevaraj K RajagopalanJHJingsong Huang

Key Points

  • This research aims to identify a new tetragonal MBene phase for potential applications in CO2 reduction.
  • Utilized first-principles calculations to explore the properties of MBenes.
  • Analyzed the structure and stability of the diamond-shaped boron lattices.
  • Evaluated the feasibility of these MBenes as precursors for selective CO2 reduction.
  • Predicted a new tetragonal MBene phase with a diamond-shaped lattice.
  • Identified viable aspects of MAB phases as potential material precursors.
  • Showed promising characteristics for CO2 reduction applications.

Abstract

MBenes are a class of two-dimensional transition-metal borides derived from layered MAB phases. Here we use first-principles calculations to predict a new tetragonal MB (1:1) MBene phase featuring a diamond-shaped...

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Cite This Study

Lu et al. (2026) studied this question.

synapsesocial.com/papers/6a211670d499ed480b16f5behttps://doi.org/10.1039/d6ta01721e
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