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Journal article
Nano Hexagon NiCeO2 for Al–Air Batteries: A Combined Experimental and Density Functional Theory Study of Oxygen Reduction Reaction Activity
ChemElectroChem, Early View
2025
Abstract
Nano hexagon NiCeO2 is synthesized via a simple one-pot hydrothermal method and evaluated as a highly efficient electrocatalyst for the oxygen reduction reaction (ORR) in an Al-air battery (AAB). Structural analysis using X-ray diffraction reveals peak shifts and lattice contraction, confirming the successful incorporation of Ni into the CeO2 host matrix. Raman spectroscopy identified a characteristic peak associated with oxygen vacancies, indicating defect formation. Thermogravimetric analysis showed a 4.97% weight gain, likely due to the filling of oxygen vacancies at elevated temperatures. Transmission electron microscope revealed a nano hexagon morphology with an average particle size of 20 nm. X-ray Photoelectron Spectroscopy analysis confirmed the presence of both cerium and nickel elements. Electronic structure calculations, performed using density functional theory via Quantum ESPRESSO, indicated that Ni doping introduces new 3d states into the CeO2 band structure, resulting in bandgap narrowing and a lowered Fermi level. Electrochemical testing demonstrated that NiCeO2 exhibits superior ORR performance compared to commercial Pt/C catalysts. Kinetic analysis suggested a near four-electron transfer pathway. Durability is assessed using chronoamperometry, showing that NiCeO2 retained 90% of its initial current after 20 h of operation, outperforming Pt/C. Furthermore, an AAB is constructed using NiCeO2 as the cathode, which achieved an open circuit voltage of 1.65 V with a discharge capacity of 1070 mAh·g−1, delivering a notable power density of 77.64 mW·cm−2. The enhanced ORR activity is attributed to the synergistic interaction between CeO2 and Ni, which significantly improves the overall performance of the AAB These findings suggest that NiCeO2 is a promising cathode material for high-performance AABs.
Details
- Title
- Nano Hexagon NiCeO2 for Al–Air Batteries: A Combined Experimental and Density Functional Theory Study of Oxygen Reduction Reaction Activity
- Authors/Creators
- Swathi Tharani Dharmalingam - PSG Institute of Advanced StudiesParul Sharma - J.C. Bose University of Science & Technology, YMCAAnurag Prakash Sunda - J.C. Bose University of Science & Technology, YMCAManickam Minakshi Sundaram - Murdoch University, Centre for Water, Energy and Waste
- Publication Details
- ChemElectroChem, Early View
- Publisher
- Wiley-VCH GmbH; WEINHEIM
- Number of pages
- 12
- Identifiers
- 991005818348207891
- Copyright
- © 2025 The Author(s).
- Murdoch Affiliation
- Murdoch University; Centre for Water, Energy and Waste
- Resource Type
- Journal article
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- Citation topics
- 2 Chemistry
- 2.62 Electrochemistry
- 2.62.76 Electrocatalysis
- Web Of Science research areas
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- Chemistry