DFT study of CO adsorption on Pt(111) using GPAW + ASE. On-top vs bridge site comparison with geometry relaxation and adsorption energy analysis.
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Updated
Feb 19, 2026 - Python
DFT study of CO adsorption on Pt(111) using GPAW + ASE. On-top vs bridge site comparison with geometry relaxation and adsorption energy analysis.
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