Concepedia

Sulfur doped graphene as a promising metal-free electrocatalyst for oxygen reduction reaction: a DFT-D study

Zhansheng Lu, Shuo Li, Chuang Liu, Chaozheng He, Xinwei Yang, Dongwei Ma, Guoliang Xu, Zongxian Yang

RSC Advances · 2017 · 68 citations · 41 references

DOIFull text

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Concepts

Abstract

As an efficient metal-free catalyst, graphene doped with heteroatoms is highly active in promoting electrochemical oxygen reduction reaction (ORR).

References

41

Generalized Gradient Approximation Made Simple

John P. Perdew, Kieron Burke, Matthias Ernzerhof · Physical Review Letters · 1996 · 211.5K citations · Full text

, , +16

Special points for Brillouin-zone integrations

Hendrik J. Monkhorst, J.D. Pack · Physical review. B, Solid state · 1976 · 70.3K citations

, , +6

Origin of the Overpotential for Oxygen Reduction at a Fuel-Cell Cathode

Jens K. Nørskov, Jan Rossmeisl, Á. Logadóttir et al. · The Journal of Physical Chemistry B · 2004 · 12.7K citations

, , +17

An all-electron numerical method for solving the local density functional for polyatomic molecules

B. Delley · The Journal of Chemical Physics · 1990 · 10.5K citations · Full text

, , +15

Materials for fuel-cell technologies

Brian Steele, Angelika Heinzel · Nature · 2001 · 7.7K citations

, , +12