Tailoring the electronic properties of silicon with cysteine: A first-principles study

被引：6

作者：

Cucinotta, CS ^{[1
]}

Ruini, A

Catellani, A

Caldas, MJ

机构：

[1] Univ Modena, CNR, INFM, Natl Ctr Nanostruct & Biosyst Surfaces, I-41100 Modena, Italy

[2] Univ Modena, Dipartimento Fis, I-41100 Modena, Italy

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

[4] Univ Sao Paulo, Inst Fis, BR-05508900 Sao Paulo, Brazil

来源：

PHYSICAL REVIEW B | 2005年 / 72卷 / 24期

关键词：

D O I：

10.1103/PhysRevB.72.245310

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

We discuss the electronic structure modifications induced on the dihydride-terminated Si(001) surface upon cysteine adsorption by means of ab initio calculations: several stable functionalization schemes are presented, providing different routes for biological recognition, surface nanostructuring, and biomolecular electronics applications. The resulting hybrid systems are discussed and compared in terms of stability, structural, and electronic properties. Based on our results, we propose STM and photoemission experiments to determine unambiguously the adsorption mechanism involved and the attached functional group.

引用

页数：6

共 29 条

[1] BAND OFFSETS IN LATTICE-MATCHED HETEROJUNCTIONS - A MODEL AND 1ST-PRINCIPLES CALCULATIONS FOR GAAS/ALAS [J].

BALDERESCHI, A ;

BARONI, S ;

RESTA, R .

PHYSICAL REVIEW LETTERS, 1988, 61 (06) :734-737

[2] Organic functionalization of group IV semiconductor surfaces: principles, examples, applications, and prospects [J].

Bent, SF .

SURFACE SCIENCE, 2002, 500 (1-3) :879-903

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

Buriak, JM .

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

[4] High resolution X-ray photoelectron spectroscopy of L-cysteine self-assembled films [J].

Cavalleri, O ;

Gonella, G ;

Terreni, S ;

Vignolo, M ;

Floreano, L ;

Morgante, A ;

Canepa, M ;

Rolandi, R .

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2004, 6 (15) :4042-4046

[5] The addition of functional groups to silicon via hydrosilation of 1-alkynes at hydrogen-terminated, 1 x 1 reconstructed, (100) silicon surfaces [J].

Cerofolini, GF ;

Galati, C ;

Reina, S ;

Renna, L .

SEMICONDUCTOR SCIENCE AND TECHNOLOGY, 2003, 18 (06) :423-429

[6] Towards SiC surface functionalization: An ab initio study [J].

Cicero, G ;

Catellani, A .

JOURNAL OF CHEMICAL PHYSICS, 2005, 122 (21)

[7] Ab initio study of chemisorption reactions for carboxylic acids on hydrogenated silicon surfaces [J].

Cucinotta, CS ;

Ruini, A ;

Caldas, MJ ;

Molinari, E .

JOURNAL OF PHYSICAL CHEMISTRY B, 2004, 108 (45) :17278-17280

[8] Metal work-function changes induced by organic adsorbates: A combined experimental and theoretical study [J].

De Renzi, V ;

Rousseau, R ;

Marchetto, D ;

Biagi, R ;

Scandolo, S ;

del Pennino, U .

PHYSICAL REVIEW LETTERS, 2005, 95 (04)

[9] DFT study of cysteine adsorption on Au(111) [J].

Di Felice, R ;

Selloni, A ;

Molinari, E .

JOURNAL OF PHYSICAL CHEMISTRY B, 2003, 107 (05) :1151-1156

[10] The surface as molecular reagent: organic chemistry at the semiconductor interface [J].

Filler, MA ;

Bent, SF .

PROGRESS IN SURFACE SCIENCE, 2003, 73 (1-3) :1-56

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