Add Cu(111) and Cu3Sn(0001) thermo data for CO2RR #2
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Torrie01 wants to merge 1 commit intossun30:CO2RRfrom
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Add Cu(111) and Cu3Sn(0001) thermo data for CO2RR #2Torrie01 wants to merge 1 commit intossun30:CO2RRfrom
Torrie01 wants to merge 1 commit intossun30:CO2RRfrom
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Added DFT-based thermo libraries for CO2 reduction adsorbates on Cu(111) and Cu3Sn(0001) surfaces.
CO2RR_Adsorbates_Cu111.py: Thermo data for adsorbates on Cu(111)
CO2RR_Adsorbates_Cu3Sn0001.py: Thermo data for adsorbates on Cu3Sn(0001)
Raw DFT data calculated by Colin Gallagher from Northeastern University. Converted to RMG data format by Torrie Asifor.