Atomic Control of Water Interaction with Biocompatible Surfaces: The Case of SiC(001) | Zendy

Giancarlo Cicero | Zendy; Alessandra Catellani | Zendy; Giulia Galli | Zendy

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Atomic Control of Water Interaction with Biocompatible Surfaces: The Case of SiC(001)

Author(s) -

Giancarlo Cicero,

Alessandra Catellani,

Giulia Galli

Publication year - 2004

Publication title -

physical review letters

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 3.688

H-Index - 673

eISSN - 1079-7114

pISSN - 0031-9007

DOI - 10.1103/physrevlett.93.016102

Subject(s) - monolayer , materials science , ab initio , molecular dynamics , surface (topology) , electronic structure , chemical physics , nanotechnology , crystallography , atomic physics , physics , computational chemistry , chemistry , geometry , organic chemistry , mathematics

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 non reactive and hydrophobic. Based on our results, we propose that STM images and photoemission experiments may detect specic changes induced by water on both the structural and electronic properties of SiC(001) surfaces

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