期刊
JOURNAL OF POWER SOURCES
卷 275, 期 -, 页码 32-37出版社
ELSEVIER
DOI: 10.1016/j.jpowsour.2014.11.016
关键词
Lithium-oxygen batteries; Cathode; Silicene; Oxygen reduction reaction; Electrochemistry; Density functional theory
资金
- National Research Foundation of Korea (NRF) - Ministry of Education [2013R1A1A2A10064432]
- National Research Foundation of Korea [2013R1A1A2A10064432] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
The lithium oxygen (Li-O-2) battery is one of the most promising technologies for energy storage due to its extremely high-energy density. However, the design still faces many challenges for practical use including the decomposition of cathodes, which are typically composed of carbon-based materials. In this study, a carbon-free and two-dimensional cathode structure based on silicene is first proposed for Li -O-2 batteries using density functional theory calculations. In contrast to graphene, oxygen reduction reactions (ORR) and oxygen evolution reactions (OER) can occur on the pristine form of silicene without any defect sites. In addition, it was found that reactions on silicene strongly correlate with strong adsorptions of the ORR intermediates, which are caused not only by ionic bonding between the oxygen atoms in the ORR intermediates and silicene but also by the structural stabilization of silicene. Theoretical observations demonstrate the great potential of silicene as a carbon-free cathode structure for Li -O-2 batteries and provide further insights for designing a new cathode material architecture based on twO-dimensional structured materials. (C) 2014 Elsevier B.V. All rights reserved.
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