Structural transformation of highly active metal–organic framework electrocatalysts during the oxygen evolution reaction

Generalized Gradient Approximation Made Simple

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

Natural Sciences, Chemistry, Physics +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

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Self-Consistent Equations Including Exchange and Correlation Effects

W. Kohn, L. J. Sham · Physical Review · 1965 · 63.2K citations · Full text

Natural Sciences, Physics, Condensed Matter Physics +15

Benchmarking Heterogeneous Electrocatalysts for the Oxygen Evolution Reaction

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A Perovskite Oxide Optimized for Oxygen Evolution Catalysis from Molecular Orbital Principles

Jin Suntivich, Kevin J. May, Hubert A. Gasteiger et al. · Science · 2011 · 5.3K citations

Natural Sciences, Chemistry, Materials Science +17