| Autor: |
Liu, Xu, Huang, Jun-Chao, Duan, Xiang-Mei |
| Předmět: |
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| Zdroj: |
Chinese Physics B; Jun2021, Vol. 30 Issue 6, p1-6, 6p |
| Abstrakt: |
Single-atom catalysts (SACs) have attracted great interest due to their significant roles played in applications of environmental protection, energy conversion, energy storage, and so on. Using first-principles calculations with dispersion-correction, we investigated the structural stability and catalytic activity of Co implanted CN sheet towards CO oxidation. The adsorption energy of CO and O2 on the catalysts Co@CN and 2Co@CN are close, thus preventing CO poisoning. Among three possible CO oxidation mechanisms, termolecular Eley-Rideal is the most appropriate reaction path, and the corresponding rate-limiting reaction barriers of the two systems are 0.42 eV and 0.38 eV, respectively. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Complementary Index |
| Externí odkaz: |
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