| KMC | Kinetic Monte Carlo |
| XPS | X-ray photoelectron spectroscopy |
| AFM | Atomic force microscopy |
| DFT | Density functional theory |
| SIMS | Secondary ion mass spectroscopy |
| GPW | Gaussian-Plane Wave |
| PBE | Perdew–Burke–Eenzerhof |
| LDA | Local-density approximation |
| PW91 | Perdew-Wang, 1991 |
| UFF | Universal force field |
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