Concepedia

Enhanced electrochemical oxygen evolution reaction activity on natural single-atom catalysts transition metal phthalocyanines: the substrate effect

Xuhao Wan, Huan Niu, Yiheng Yin, Xiting Wang, Chen Shao, Zhaofu Zhang, Yuzheng Guo

Catalysis Science & Technology · 2020 · 37 citations · 63 references

DOI

Concepts

Abstract

Some TMPc are excellent OER electrocatalysts and photocatalysts with a single-wall nanotube (SWNT) substrate which can enhance their catalytic activity.

References

63

Generalized Gradient Approximation Made Simple

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

, , +16

Efficient iterative schemes for<i>ab initio</i>total-energy calculations using a plane-wave basis set

Georg Kresse, J. Furthmüller · Physical review. B, Condensed matter · 1996 · 120.5K citations

, , +15

Semiempirical GGA‐type density functional constructed with a long‐range dispersion correction

Stefan Grimme · Journal of Computational Chemistry · 2006 · 30.8K citations

, , +17

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

Unified Approach for Molecular Dynamics and Density-Functional Theory

Roberto Car, Michele Parrinello · Physical Review Letters · 1985 · 10.7K citations · Full text

, , +15