RT Journal Article
T1 Lattice Kinetic Modeling of the Anisotropic Growth of Two-Dimensional Islands on Barite (001) Surface.
A1 Gómez, Santiago de Antonio
A1 Pina Martínez, Carlos Manuel
A1 Martín-Bragado, Ignacio
AB In this paper, we present simulations of twodimensional islands on the barite (001) face. These simulations were performed with MMonCa, a computer code based on the kinetic Monte Carlo technique. Our results are in excellent agreement with previous in situ atomic force microscopy (AFM) observations. Indeed, MMonCa is able to precisely reproduce both the thickness and the characteristic fan shape of barite (001) two-dimensional islands, which is defined by two straight steps parallel to the ⟨120⟩ directions and a curved step connecting them. An addition, MMonCa also simulates the orientation reversal of islands in successive growth monolayers. Fundamental for the adequate reproduction of the shape of barite (001) islands is the introduction of an anisotropy factor for the incorporation of growth units into crystallographically nonequivalent step edges. The results presented in this paper demonstrate that the consideration of simple crystallographic and geometrical constraints can be enough to provide a consistent explanation for the development of complex nanotopographies during the growth of crystals.
PB American Chemical Society
SN ISSN: 1528-7483, ESSN: 1528-7505)
YR 2013
FD 2013
LK https://hdl.handle.net/20.500.14352/34080
UL https://hdl.handle.net/20.500.14352/34080
LA eng
NO Unión Europea. FP7
DS Docta Complutense
RD 17 abr 2025