Adsorption of triangular-shaped molecules with directional nearest-neighbor interactions on a triangular lattice

Self-organization of monodentate organic molecules on a solid surface — A Monte Carlo and transfer-matrix study

“…An example is the model of trimesic acid (TMA) adsorption on a triangular lattice [18][19][20]. It is worth to note that there is the "devil's staircase" of phase transitions in this simple model [19].…”

“…[8][9][10][11][12][13][14][15][16][17]; 2) specific interactions between adsorbed molecules [18][19][20][21][22][23][24][25][26].…”

Adsorption thermodynamics of cross-shaped molecules with one attractive arm on random heterogeneous square lattice

“…Over the years, simple and more sophisticated statistical lattice gas models are also used to study the adsorption overlayers consisted of the functional organic molecules (Akimenko et al 2015;Gambra 2012;Buzano et al 2004;Gorbunov et al 2013;Misiūnas and Tornau 2012;Patrykiejew and Pizio 1999;Š im_ enas and Tornau 2014;Szabelski et al 2013;Szabelski and Kasperski 2011). Apparently, this is the most appropriate way to simulate such complicated adsorption systems, since the characteristic length and time scales of the considered phenomena are beyond the limits of DFT and molecular dynamics calculations.…”

Statistical Thermodynamics of Lattice Gas Models of Multisite Adsorption

“…In order to evaluate the influence of surface geometry on the phase behavior of adsorbed monolayer the model of orientable dimers on the square and triangular lattice was studied [100,101]. It was shown that the influence of the coordination number (the number of nearest neighbors) plays an important role in the phase formation process.…”