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Energy Band Engineering Guided Design of Bidirectional Catalyst for Reversible Li-CO 2 Batteries.
- Source :
-
Advanced materials (Deerfield Beach, Fla.) [Adv Mater] 2024 Jan; Vol. 36 (1), pp. e2308889. Date of Electronic Publication: 2023 Nov 22. - Publication Year :
- 2024
-
Abstract
- Li-CO <subscript>2</subscript> batteries arouse great interest in the context of carbon neutralization, but their practicability is severely hindered by the sluggish CO <subscript>2</subscript> redox reaction kinetics at the cathode, which brings about formidable challenges such as high overpotential and low Coulombic efficiency. For the complex multi-electron transfer process, the design of catalysts at the molecular or atomic level and the understanding of the relationship between electron state and performance are essential for the CO <subscript>2</subscript> redox. However, little attention is paid to it. In this work, using Co <subscript>3</subscript> S <subscript>4</subscript> as a model system, density functional theory (DFT) calculations reveal that the adjusted d-band and p-band centers of Co <subscript>3</subscript> S <subscript>4</subscript> with the introduction of Cu and sulfur vacancies are hybridized between CO <subscript>2</subscript> and Li species, respectively, which is conducive to the adsorption of reactants and the decomposition of Li <subscript>2</subscript> CO <subscript>3</subscript> , and the experimental results further verify the effectiveness of energy band engineering. As a result, a highly efficient bidirectional catalyst is produced and shows an ultra-small voltage gap of 0.73 V and marvelous Coulombic efficiency of 92.6%, surpassing those of previous catalysts under similar conditions. This work presents an effective catalyst design and affords new insight into the high-performance cathode catalyst materials for Li-CO <subscript>2</subscript> batteries.<br /> (© 2023 Wiley-VCH GmbH.)
Details
- Language :
- English
- ISSN :
- 1521-4095
- Volume :
- 36
- Issue :
- 1
- Database :
- MEDLINE
- Journal :
- Advanced materials (Deerfield Beach, Fla.)
- Publication Type :
- Academic Journal
- Accession number :
- 37960976
- Full Text :
- https://doi.org/10.1002/adma.202308889