Published August 1, 2020 | Version v1
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DFT+U study of CO2 reduction and CO oxidation on a reconstructed CeO(2-x)(110) facet.

Authors/Creators

  • 1. DTU Energy

Description

Optimised structures of ceria (110) and reconstructed (110) facets for CO2 reduction and CO oxidation with and without doping in VASP POSCAR format. Vibrational frequencies are given for structures where Gibbs free energies are used in associated publication.

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CO2_reduction_CO_oxidation_on_reconstructed_ceria110.zip

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