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Enhancing Oxygen Evolution Reaction Activity by Using Switchable Polarization in Ferroelectric InSnO2N

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posted on 2021-09-28, 06:41 authored by Zhenyun LanZhenyun Lan
The data set contains all the relaxed structures in CONTCAR files and can be visualized with VESTA which is an open access program and can be downloaded online https://jp-minerals.org/vesta/en/. The related calculated total energy and input set parameters could be seen in the OUTCAR files.
And the band structure pdos can be obtained from vasprun by p4vasp

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    DTU Energy

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    density functional theoryFerroelectric PolarizationOxygen Evolution ReactionoverpotentialCatalysis and Mechanisms of ReactionsComputational Chemistry

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