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Enhancing lattice oxygen migration and regeneration of oxygen carriers in CO chemical looping combustion via interface structures in inverse CeO2/Cu2O

Author

Listed:
  • Li, Mingtai
  • Liu, Zimu
  • Yang, Yifan
  • Yang, Yulong
  • Zhao, Dongping
  • Chen, Jiarui
  • Feng, Junjie
  • Dou, Baojuan
  • Bin, Feng

Abstract

Chemical Looping Combustion (CLC) is a combustion technology that enables efficient and low-energy CO2 capture. However, the cyclic regeneration capability of oxygen carriers represents a critical bottleneck restricting the development of this technology. This study investigates the CO chemical looping combustion (CO-CLC) behavior of inverse CeO2/Cu2O and pure Cu2O as oxygen carriers, focusing on lattice oxygen regeneration. DFT calculations and Redhead kinetics analyses pinpoint the Cu-Ce interface as the key promoter for oxygen activation. Electron transfer across this interface weakens Cu-O bonds, lowering both the oxygen vacancy formation energy to 2.54 eV at surface and the lattice oxygen migration barrier by 16 kJ/mol relative to pure Cu2O, which consequently improves the oxygen mobility markedly. The modified electronic structure, evidenced by a d-band center shift closer to the Fermi level, also weakens the adsorption of CO and O2 by 1.7 eV and 0.17 eV, thereby enhancing the overall reactivity. The Cu-Ce synergy enhances CO oxidation, oxygen activation/migration, and lattice oxygen replenishment, significantly boosting the cyclic regeneration capability of oxygen carriers.

Suggested Citation

  • Li, Mingtai & Liu, Zimu & Yang, Yifan & Yang, Yulong & Zhao, Dongping & Chen, Jiarui & Feng, Junjie & Dou, Baojuan & Bin, Feng, 2026. "Enhancing lattice oxygen migration and regeneration of oxygen carriers in CO chemical looping combustion via interface structures in inverse CeO2/Cu2O," Energy, Elsevier, vol. 349(C).
    • Handle: RePEc:eee:energy:v:349:y:2026:i:c:s0360544226007437
    DOI: 10.1016/j.energy.2026.140640
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