RMG-database icon indicating copy to clipboard operation
RMG-database copied to clipboard

Add thermo and kinetics data for electrocatalytic CO2 reduction

Open ssun30 opened this issue 9 months ago • 1 comments
trafficstars

  • Add thermo data for adsorbates on Ag(111) and Cu(111) surfaces.
  • Add kinetics data for PCET reactions during the CO2 reduction process.

Raw DFT data calculated by Manish Kumar Kothakonda and Colin Gallagher from Northeastern University. Converted to RMG data format by Su Sun.

ssun30 avatar Jan 23 '25 01:01 ssun30