| Popis: |
In this paper, a simple lattice model of the metal-organic adsorption layer of 1,3,5- tris(pyridyl)benzene and copper on the surface of Ti2CO2 was proposed. In this model, the selfassembly of the organometallic layer is considered as a one-component system that implicitly includes metal adatoms. The ground state phase diagram is calculated. A Monte Carlo simulation is performed using the Metropolis algorithm and the parallel temperature technique. The isotherm of the metal-organic is calculated at T = 300 K. All the results indicate the possibility of the formation of stable metal-organic phases on the Ti2CO2 surface. |
