Atomic Control Of Water Interaction With Biocompatible Surfaces: The Case Of SiC(001)

Cicero, G; Catellani, A; Galli, G

doi:10.1103/PhysRevLett.93.016102

Title: Atomic Control Of Water Interaction With Biocompatible Surfaces: The Case Of SiC(001)

Journal Article · Mon Jul 19 00:00:00 EDT 2004 · Physical Review Letters

DOI:https://doi.org/10.1103/PhysRevLett.93.016102· OSTI ID:15014585

Cicero, G; Catellani, A; Galli, G

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.

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Research Organization:: Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)

Sponsoring Organization:: USDOE

DOE Contract Number:: W-7405-ENG-48

OSTI ID:: 15014585

Report Number(s):: UCRL-JRNL-205573; PRLTAO; TRN: US0800905

Journal Information:: Physical Review Letters, Vol. 93, Issue 1; ISSN 0031-9007

Country of Publication:: United States

Language:: English

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