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VASP Tutorial - 13 Adsorption Energy Calculation in VASP: Graphene - CO₂ System Explained
Ref: https://pubs.acs.org/doi/full/10.1021/acs.jpcc.5c00105 In this video, we explore how to calculate the adsorption energy of a CO₂ molecule on a graphene surface using VASP. This tutorial covers the complete workflow—from setting up the isolated systems and combined structure to performing total energy calculations needed for accurate ...
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