Peer-Reviewed Journal Details
Mandatory Fields
Henschel H;Krämer T;Lankau T;
2006
December
Langmuir
(H2O)10 and (H2O)12 on a virtual metal surface: the growth of ice.
Published
()
Optional Fields
22
26
(H2O)10 and (H2O)12 are used to investigate the growth of ice on metal surfaces with hexagonal symmetry. The model of the virtual metal surface was used to separate the electronic structure of the metal from that of the water cluster while maintaining the geometric constraints imposed by the metal surface on the water cluster. To complement the ab initio calculations on the water cluster, an additional multicenter analysis was done to analyze the hydrogen bonds within the clusters. These calculations suggested that the water bilayer structure adjacent to the virtual metal surface effectively shields the growing ice crystal from the metal surface.
0743-7463
10.1021/la0603471
Grant Details