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The role of metal-doping on the enhanced electrocatalytic properties of α-MnO2 during oxygen reduction reaction

Meena Rittiruam, Nuttanon Aumnongpho, Tinnakorn Saelee, Patcharaporn Khajondetchairit, Soorathep Kheawhom, Björn Alling, Supareak Praserthdam, Annop Ektarawong, Piyasan Praserthdam

Journal of Energy Storage · 2023 · 19 citations · 56 references

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56

Generalized Gradient Approximation Made Simple

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

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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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Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set

Georg Kresse, J. Furthmüller · Computational Materials Science · 1996 · 74.7K citations

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Special points for Brillouin-zone integrations

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

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A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

Stefan Grimme, Jens Antony, Stephan Ehrlich et al. · The Journal of Chemical Physics · 2010 · 56.9K citations

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