Journal
SMALL
Volume 16, Issue 24, Pages -Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/smll.202001812
Keywords
electrocatalysts; Li-O-2 batteries; magnetron sputtering; oxygen electrodes; oxygen vacancies
Categories
Funding
- National Natural Science Foundation of China [21905033]
- Science and Technology Department of Sichuan Province [2019YJ0503]
- Cultivating Program of Middle Aged Key Teachers of Chengdu University of Technology [KYGG201709]
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Albeit the effectiveness of surface oxygen vacancy in improving oxygen redox reactions in Li-O-2 battery, the underpinning reason behind this improvement remains ambiguous. Herein, the concentration of oxygen vacancy in spinel NiCo2O4 is first regulated via magnetron sputtering and its relationship with catalytic activity is comprehensively studied in Li-O-2 battery based on experiment and density functional theory (DFT) calculation. The positive effect posed by oxygen vacancy originates from the up shifted antibond orbital relative to Fermi level (E-f), which provides extra electronic state around E-f, eventually enhancing oxygen adsorption and charge transfer during oxygen redox reactions. However, with excessive oxygen vacancy, the negative effect emerges because the metal ions are mostly reduced to low valence based on the electrical neutral principle, which not only destabilizes the crystal structure but also weakens the ability to capture electrons from the antibond orbit of Li2O2, leading to poor catalytic activity for oxygen evolution reaction (OER).
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