Name: Supporting Information for Multiscale investigation of the mechanism and selectivity of CO 2 hydrogenation over Rh(111)

Description: Further details on ZPE-corrected adsorption energies, surface energies, determining of rate constants, surface lateral interactions, electronic analysis (including density of states and crystal orbital Hamilton population), impact of the magnitude of CO adsorption energy, adlayer configurations, event frequency, pressure effects, apparent activation energy, and configurations used in cluster expansion model (PDF)

DOI:

Location: https://pubs.acs.org/doi/suppl/10.1021/acscatal.3c05939/suppl_file/cs3c05939_si_001.pdf

Resository: https://pubs.acs.org

Start date: 2024-03-28 00:00:00 UTC

End date:

Related Article: Multiscale Investigation of the Mechanism and Selectivity of CO₂ Hydrogenation over Rh(111)

Back