PREDICTION OF CO2 REDUCTION REACTION (CO2RR) BY TRANSITION METALS ON SINGLE VACANCY GRAPHENE STRUCTURES
States (DOS) and Partial density of states (PDOS) analyses reveal that the d orbitals of Ti, Co, Cu, and Ni significantly contribute to peaks near the Fermi level, dominated by the p orbital of the carbon atoms. The d orbitals of Pt symmetrically contribute to peaks in the conduction band, wherea...
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| Format: | Theses |
| Language: | Indonesia |
| Online Access: | https://digilib.itb.ac.id/gdl/view/81442 |
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| Institution: | Institut Teknologi Bandung |
| Language: | Indonesia |