COMPUTATIONAL SIMULATION OF CO2 ADSORPTION ON FCC SILICON USING DENSITY FUNCTIONAL THEORY (DFT) METHOD

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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Bibliographic Details
Main Author:	Apriyani, Zuhra
Format:	Theses
Language:	Indonesia
Online Access:	https://digilib.itb.ac.id/gdl/view/68663
Tags:	Add Tag No Tags, Be the first to tag this record!
Institution:	Institut Teknologi Bandung
Language:	Indonesia

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