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

Journal Article · · Physical Review Letters
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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.
Research Organization:
Lawrence Livermore National Laboratory (LLNL), Livermore, CA
Sponsoring Organization:
USDOE
DOE Contract Number:
W-7405-ENG-48
OSTI ID:
15014585
Report Number(s):
UCRL-JRNL-205573
Journal Information:
Physical Review Letters, Journal Name: Physical Review Letters Journal Issue: 1 Vol. 93; ISSN 0031-9007; ISSN PRLTAO
Country of Publication:
United States
Language:
English

References (20)

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Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
PHOTOEMISSION
SIMULATION
WATER