Thermodynamic Evolution of Cerium Oxide Nanoparticle Morphology Using Carbon Dioxide Dataset

<p>Data supporting the publication &quot;Thermodynamic Evolution of Cerium Oxide Nanoparticle Morphology Using Carbon Dioxide&quot;</p> <p>DOI : <a href="https://doi.org/10.1021/acs.jpcc.0c07437">10.1021/acs.jpcc.0c07437</a></p> <p>URL : https://pubs.acs.org/doi/abs/10.1021/acs.jpcc.0c07437</p> <p>Contained within are the the initial and final configurations from the VASP calculations.</p> <p>We used the Ce, O and C POTCAR.</p> <p>We used a KPOINT mesh of 2 x 2 x 1</p> <p>An example INCAR has been include.</p> <p>&nbsp;</p>