EMSI_Pt8_CeO2_111

This data set contains: - Calculations of the different electronic states with (4f-core) and without (4f-valence) using the 4f-core potentials for systems with zero, one, two, or three transferred electrons from the Pt particle to the ceria surface. - Calculations of H2O, CO, OH, and H on two sites of the Pt8/CeO2(111) system with zero, one, two, or three transferred electrons from the Pt particle to the ceria surface (all using 4f-core potentials).

Share - copy and redistribute the material in any medium or format. Adapt - remix, transform, and build upon the material for any purpose, even commercially. The licensor cannot revoke these freedoms as long as you follow the license terms.

Please use this identifier to cite or link to this collection:doi:10.19061/iochem-bd-6-271

This dataset derived results are published in:

Manuscript title: Systematic Characterization of Electronic Metal?Support Interactions in Ceria-Supported Pt Particles

Journal: J. Phys. Chem. C

DOI: 10.1021/acs.jpcc.3c03383

View as
    • ROOT