The Reactions of Carbon Monoxide Catalytic Oxidation on Ti and Zr-embedded Graphene, a DFT Study
<p>Density functional theory (DFT) calculations have been performed to explore the mechanistic aspects of<strong><em> </em></strong>the catalytic oxidation of CO over Ti and Zr-embedded graphene. The present results show that the title reactions start with the activatio...
| Main Authors: | , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Kaunas University of Technology
2019-04-01
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| Series: | Medžiagotyra |
| Subjects: | |
| Online Access: | http://matsc.ktu.lt/index.php/MatSc/article/view/19437 |