期刊
CATALYSIS SCIENCE & TECHNOLOGY
卷 8, 期 4, 页码 996-1001出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cy02463k
关键词
-
资金
- Australian Research Council [DP130102420, DP170103598]
To identify the specific activity sites for both the HER and OER in experimental realized single transition-metal atom decorated graphene sheets, we assume the number of metal-C bonds (coordination) determines the adsorption strength of reaction intermediates on the metal atom sites. We find the strength weakens with the metal coordination number. Low-coordinated Ni sites, i.e. single-coordinated Ni on the zigzag edge, exhibit the highest activity toward HER, while high-coordinated Ni atoms, i.e. quadruple-coordinated Ni, demonstrate the best OER performance. This assumption has been further confirmed by a wide range of transition metals, including Mn, Fe, Co, Cu, and Pd. Our findings highlight a new family of efficient bifunctional catalysts for water splitting and offer a new paradigm for the design of single-atom HER/OER catalysts toward hydrogen production.
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