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May 7, 2026Journal of Materials Chemistry A0 citationsOpen Access

Rational design of B-Site single-atom doped LaMnO3 for CO chemical looping combustion: a DFT study

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ZBZhongze BaiKLKai Hong Luo

Key Points

  • To investigate the design of B-Site single-atom doped LaMnO3 for improved performance in chemical looping combustion.
  • Conducted a DFT study on LaMnO3 and its B-Site doping properties.
  • Analyzed the structural and catalytic behaviors of various dopants in chemical looping combustion.
  • Explored the effectiveness of LaMnO3 as an oxygen carrier.
  • Identified optimal B-Site dopants enhancing the catalytic properties of LaMnO3.
  • Demonstrated how doping influences structural stability and performance in chemical looping combustion.

Abstract

Perovskite oxides such as LaMnO3 are widely investigated as oxygen carriers (OCs) in chemical looping combustion (CLC) due to their tunable catalytic and structural properties. In this study, density functional...

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Cite This Study

Bai et al. (2026) studied this question.

synapsesocial.com/papers/69fbefc0164b5133a91a3b25https://doi.org/10.1039/d6ta01727d
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