화학공학소재연구정보센터
Journal of Crystal Growth, Vol.209, No.1, 159-166, 2000
Atomistic modelling of gibbsite: surface structure and morphology
We have developed interatomic potentials that fit multiple hydroxide systems, including gibbsite. These potentials have been used to compute the equilibrium and growth morphologies of gibbsite. The results compared favourably to experimental data, reproducing all observed faces. In addition, the configuration and coordination of surface aluminium atoms were found to exert a major influence on the morphology.