Atomic control of water interaction with biocompatible surfaces: the case of SiC(001).
The interaction of water with Si- and C- terminated beta-SiC(001) surfaces was investigated by means of ab initio molecular dynamics simulations. Irrespective of coverage, varied from 1/4 to 1 monolayer, we found that water dissociates on the Si-terminated surface, substantially modifying the clean surface reconstruction, while the C-terminated surface is nonreactive and hydrophobic. Based on our results, we propose that STM images and photoemission experiments may detect specific changes induced by water on both the structural and electronic properties of SiC(001) surfaces.
Cicero
Giancarlo
G
INFM & Physics Department, Torino Polytechnic, C. Duca degli Abruzzi, 24, I-10129 Torino, Italy. giancarlo.cicero@polito.it
Catellani
Alessandra
A
Galli
Giulia
G
D001672:Biocompatible Materials / Q000737:chemistry*; D055592:Biophysical Phenomena; D001703:Biophysics; D002244:Carbon / Q000737:chemistry*; D057927:Hydrophobic and Hydrophilic Interactions; D012825:Silicon / Q000737:chemistry*; D014867:Water / Q000737:chemistry*
D001672:Biocompatible Materials; D014867:Water; D002244:Carbon; D012825:Silicon