Supporting Information

AIP Publishing 2026 Dataset Open access

Read full text
Authors: Juana Vázquez Quesada
DOI: 10.60893/figshare.jcp.30574256
Cited by: 0

Abstract

The supplementary material contains information on the use of bare surfaces for CeO2(100) optimized with different functionals and supercell size. It also includes data on the effect of diffuse basis functions on the prediction of the CO adsorption energy on CeO2(100) (bridge), CeO2(110)(top), and CeO2(110)(tilt-x).

Fields of Study & Subjects

Catalytic Processes in Materials Science Advanced Chemical Physics Studies Electrocatalysts for Energy Conversion

Publication details

Journal / source
AIP Publishing
Publication date
1 January 2026
Document type
Dataset