| Autor: |
Mercado, Enrique, Jung, Hyun Tae, Kim, Changho, Garcia, Alejandro L., Nonaka, Andy J., Bell, John B. |
| Rok vydání: |
2022 |
| Předmět: |
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| Zdroj: |
J. Chem. Phys. 159, 144107 (2023) |
| Druh dokumentu: |
Working Paper |
| DOI: |
10.1063/5.0171207 |
| Popis: |
Dissociative adsorption onto a surface introduces dynamic correlations between neighboring sites not found in non-dissociative absorption. We study surface coverage dynamics where reversible dissociative adsorption of dimers occurs on a finite linear lattice. We derive analytic expressions for the equilibrium surface coverage as a function of the number of reactive sites, $N$, and the ratio of the adsorption and desorption rates. Using these results, we characterize the finite size effect on the equilibrium surface coverage. For comparable $N$'s, the finite size effect is significantly larger when $N$ is even than when $N$ is odd. Moreover, as $N$ increases, the size effect decays more slowly in the even case than in the odd case. The finite-size effect becomes significant when adsorption and desorption rates are considerably different. These finite-size effects are related to the number of accessible configurations in a finite system where the odd-even dependence arises from the limited number of accessible configurations in the even case. We confirm our analytical results with kinetic Monte Carlo simulations. We also analyze the surface-diffusion case where adsorbed atoms can hop into neighboring sites. As expected, the odd-even dependence disappears because more configurations are accessible in the even case due to surface diffusion. |
| Databáze: |
arXiv |
| Externí odkaz: |
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