Concepedia

Rational design of 2D MBene-based bifunctional OER/ORR dual-metal atom catalysts: a DFT study

Yiwei Mou, Yanwei Wang, Yanwei Wang, Jin Wan, Guangxu Yao, Chuanzhen Feng, Huijuan Zhang

Physical Chemistry Chemical Physics · 2023 · 25 citations · 49 references

DOI

Concepts

Abstract

. Our work not only provides new theoretical guidance for developing noble metal-free bifunctional electrocatalysts but also enriches the application of MBenes in electrocatalysis.

References

49

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

Accurate and simple analytic representation of the electron-gas correlation energy

John P. Perdew, Yue Wang · Physical review. B, Condensed matter · 1992 · 24.9K citations

, , +14

A unified formulation of the constant temperature molecular dynamics methods

Shūichi Nosé · The Journal of Chemical Physics · 1984 · 18.9K citations · Full text

, , +15

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

Trends in the Exchange Current for Hydrogen Evolution

Jens K. Nørskov, Thomas Bligaard, Á. Logadóttir et al. · Journal of The Electrochemical Society · 2005 · 5.9K citations · Full text

, , +17