期刊
ACS APPLIED ENERGY MATERIALS
卷 2, 期 5, 页码 3624-3632出版社
AMER CHEMICAL SOC
DOI: 10.1021/acsaem.9b00364
关键词
oxygen reduction reaction; selenium doped graphene; direct four-electron transfer; density functional theory; single-atom site catalyst
资金
- Tata Institute of Fundamental Research, India
A single-atom site catalyst for direct four electron oxygen reduction reaction (ORR) is identified where selenium (ultrasmall amount of Se, less than or similar to 1 at. %) is the active center that couples reduced graphene oxide (rGO) sheets. This metal-free catalyst is found to be undergoing ORR through the direct four-electron pathway in alkaline medium, similar to platinum, whereas rGO prefers a two-electron path, and the experimental observation is correlated with theoretical study. The role of Se-like elements in graphene, which have similar electronegativity as carbon, is unraveled with a detailed density functional theory-based analyses.
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