Atomic control of water interaction with biocompatible surfaces: The case of SiC(001)

被引：99

作者：

Cicero, G

Catellani, A

Galli, G

机构：

[1] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA

[2] Politecn Torino, INFM, I-10129 Turin, Italy

[3] Politecn Torino, Dept Phys, I-10129 Turin, Italy

[4] CNR, IMEM, I-43010 Parma, Italy

来源：

PHYSICAL REVIEW LETTERS | 2004年 / 93卷 / 01期

关键词：

D O I：

10.1103/PhysRevLett.93.016102

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

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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页码：016102 / 1

页数：4

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共 20 条

[1] Interaction of H, O2, and H2O with 3C-SiC surfaces [J].

Amy, F ;

Chabal, YJ .

JOURNAL OF CHEMICAL PHYSICS, 2003, 119 (12) :6201-6209

[2] High-density oligonucleotide arrays [J].

Blanchard, AP ;

Kaiser, RJ ;

Hood, LE .

BIOSENSORS & BIOELECTRONICS, 1996, 11 (6-7) :687-690

[3] Organometallic chemistry on silicon and germanium surfaces [J].

Buriak, JM .

CHEMICAL REVIEWS, 2002, 102 (05) :1271-1308

[4] UNIFIED APPROACH FOR MOLECULAR-DYNAMICS AND DENSITY-FUNCTIONAL THEORY [J].

CAR, R ;

PARRINELLO, M .

PHYSICAL REVIEW LETTERS, 1985, 55 (22) :2471-2474

[5] Theoretical studies of silicon carbide surfaces [J].

Catellani, A ;

Galli, G .

PROGRESS IN SURFACE SCIENCE, 2002, 69 (4-6) :101-124

[6] Dissociative adsorption of water on the Si(001) surface: A first-principles study [J].

Cho, JH ;

Kim, KS ;

Lee, SH ;

Kang, MH .

PHYSICAL REVIEW B, 2000, 61 (07) :4503-4506

[7] Nanochemistry at the atomic scale revealed in hydrogen-induced semiconductor surface metallization [J].

Derycke, V ;

Soukiassian, PG ;

Amy, F ;

Chabal, YJ ;

D'Angelo, MD ;

Enriquez, HB ;

Silly, MG .

NATURE MATERIALS, 2003, 2 (04) :253-258

[8] Hydrophilic/hydrophobic patterned surfaces as templates for DNA arrays [J].

Gillmor, SD ;

Thiel, AJ ;

Strother, TC ;

Smith, LM ;

Lagally, MG .

LANGMUIR, 2000, 16 (18) :7223-7228

[9] GENERALIZED NORM-CONSERVING PSEUDOPOTENTIALS [J].

HAMANN, DR .

PHYSICAL REVIEW B, 1989, 40 (05) :2980-2987

[10] The chemistry of water on alumina surfaces: Reaction dynamics from first principles [J].

Hass, KC ;

Schneider, WF ;

Curioni, A ;

Andreoni, W .

SCIENCE, 1998, 282 (5387) :265-268