COMPUTATIONAL SIMULATION OF CO2 ADSORPTION ON FCC SILICON USING DENSITY FUNCTIONAL THEORY (DFT) METHOD
In this study a simulation of silicon FCC surface as an adsorbent for carbon dioxide (CO2) using the Density Functional Theory (DFT) method as implemented in the Vienna Ab Initio Simulation Package (VASP) software to evaluate the total energy of Si/CO2. The Generalized Gradient Approximation (GGA) i...
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| Format: | Theses |
| Language: | Indonesia |
| Online Access: | https://digilib.itb.ac.id/gdl/view/68663 |
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| Institution: | Institut Teknologi Bandung |
| Language: | Indonesia |