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Even something as conceptually simple as adsorption of electronegative adatoms on metal surfaces, where repulsive lateral interactions are expected for obvious reasons, can lead to unanticipated behavior. In this context, we explain the origin of surprising lateral interactions between electronegative adatoms observed on some metal surfaces by means of density functional theory calculations of four electronegative atoms (N, O, F, Cl) on 70 surfaces of 44 pristine metals. Four different scenarios for lateral interactions are identified, some of them being unexpected: (i) they are repulsive, which is the typical case and occurs on almost all transition metals. (ii,iii) They are atypical, being either attractive or negligible, which occurs on p-block metals and Mg, and (iv) surface reconstruction stabilizes the low-coverage configuration, preventing atypical lateral interactions. The last case occurs predominantly on s-block metals.
We propose a mean-field analytical model to account for the observed asymmetry in the ability to form long-range attraction by the negatively charged colloidal particles and not their equivalently charged positive counterpart. We conjecture that this
We calculate the potential energy surfaces for graphene adsorbed on Cu(111), Ni(111), and Co(0001) using density functional theory and the Random Phase Approximation (RPA). For these adsorption systems covalent and dispersive interactions are equally
We present first principles calculations of the exchange interactions between magnetic impurities deposited on (001), (110) and (111) surfaces of Cu and Au and analyze them, in particular, in the asymptotic regime. For the (110) and the (111) surface
Remote epitaxy is a promising approach for synthesizing exfoliatable crystalline membranes and enabling epitaxy of materials with large lattice mismatch. However, the atomic scale mechanisms for remote epitaxy remain unclear. Here we experimentally d
We compare weak and strong coupling theory of counterion-mediated electrostatic interactions between two asymmetrically charged plates with extensive Monte-Carlo simulations. Analytical results in both weak and strong coupling limits compare excellen