Abstract
Grand canonical Monte Carlo simulations have been used to study the adsorption of homonuclear dimers on triangular and honeycomb two-dimensional lattices. Adsorption isotherms, adsorption energy, differential heat of adsorption, and configurational entropy were calculated for attractive and repulsive nearest-neighbor lateral interactions. In the second case (repulsive couplings) and low temperatures, we found two novel ordered phases in the adsorbate: (1) low-coverage ordered phase (LCOP), with 2/5 (5/9) of the sites occupied for a triangular (honeycomb) lattice; (2) high-coverage ordered phase (HCOP), with 2/3 of the sites filled for both lattices. The locations of the ordered phases are not symmetrical around θ = 0.5; this is a consequence of the nonequivalence between vacancies and particles in the case of adsorption with multisite occupancy. The influence of the ordered structures on the thermodynamic quantities associated with the adsorbed monolayer has been analyzed and discussed in the context of ...
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
