Manipulating electronic delocalization of Mn3O4 by manganese defects for oxygen reduction reaction

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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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

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

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<i>Ab initio</i>molecular dynamics for open-shell transition metals

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Natural Sciences, Chemistry, Physics +14

Co3O4 nanocrystals on graphene as a synergistic catalyst for oxygen reduction reaction

Yongye Liang, Yanguang Li, Hailiang Wang et al. · Nature Materials · 2011 · 5.4K citations · Full text

Natural Sciences, Chemistry, Materials Science +16