Single‐Atom Sites With Axial Ligand‐Induced d Orbital Rearrangement as Efficient Electrocatalysts for Lithium–Oxygen Batteries DOI Creative Commons
Peng Fei Liu, Chuan Wang,

Chenrui Zeng

et al.

SusMat, Journal Year: 2025, Volume and Issue: unknown

Published: April 30, 2025

ABSTRACT Understanding and regulating the electronic states of single‐atom sites near Fermi energy level are essential for developing effective electrocatalysts lithium–oxygen batteries (LOBs). In this study, we introduce an axial oxygen ligand at metal center cobalt porphyrin (CoPP) to adjust state Co center. Theoretical calculations experimental findings show that interaction disrupts planar tetragonal crystal field CoPP, resulting in enhanced spin polarization rearrangement. This rearrangement d orbitals causes upward shift frontier orbitals, which facilitates electron exchange during reactions. Additionally, increased number unpaired electrons enhances adsorption CoPP‐O‐MXene various species, promoting formation a thin film‐like Li 2 O . These discharge products improve contact with electrode surfaces, leading easier decomposition charging process. Consequently, CoPP‐O‐MXene‐based LOBs demonstrate high capacity 11035 mAh g − ¹, low overpotential 0.76 V, remarkable cycling stability (445 cycles).

Language: Английский

Surface and texture-modified fillers and stable crosslinking agents synergistically achieve high-performing polyester-based composite polymer electrolytes for lithium−oxygen batteries DOI
Ming Li,

Yunying Lian,

Yuying Gao

et al.

Journal of Power Sources, Journal Year: 2025, Volume and Issue: 640, P. 236773 - 236773

Published: March 14, 2025

Language: Английский

Citations

0
Single‐Atom Sites With Axial Ligand‐Induced d Orbital Rearrangement as Efficient Electrocatalysts for Lithium–Oxygen Batteries DOI Creative Commons
Peng Fei Liu, Chuan Wang,

Chenrui Zeng

et al.

SusMat, Journal Year: 2025, Volume and Issue: unknown

Published: April 30, 2025

ABSTRACT Understanding and regulating the electronic states of single‐atom sites near Fermi energy level are essential for developing effective electrocatalysts lithium–oxygen batteries (LOBs). In this study, we introduce an axial oxygen ligand at metal center cobalt porphyrin (CoPP) to adjust state Co center. Theoretical calculations experimental findings show that interaction disrupts planar tetragonal crystal field CoPP, resulting in enhanced spin polarization rearrangement. This rearrangement d orbitals causes upward shift frontier orbitals, which facilitates electron exchange during reactions. Additionally, increased number unpaired electrons enhances adsorption CoPP‐O‐MXene various species, promoting formation a thin film‐like Li 2 O . These discharge products improve contact with electrode surfaces, leading easier decomposition charging process. Consequently, CoPP‐O‐MXene‐based LOBs demonstrate high capacity 11035 mAh g − ¹, low overpotential 0.76 V, remarkable cycling stability (445 cycles).

Language: Английский

Citations

0