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

[11] Room temperature negative differential resistance through individual organic molecules on silicon surfaces [J].

Guisinger, NP ;

Greene, ME ;

Basu, R ;

Baluch, AS ;

Hersam, MC .

NANO LETTERS, 2004, 4 (01) :55-59

[12] DERIVATION OF CLASS-II FORCE-FIELDS .2. DERIVATION AND CHARACTERIZATION OF A CLASS-II FORCE-FIELD, CFF93, FOR THE ALKYL FUNCTIONAL-GROUP AND ALKANE MOLECULES [J].

HWANG, MJ ;

STOCKFISCH, TP ;

HAGLER, AT .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1994, 116 (06) :2515-2525

[13] Novel method for preparation of disulfides on silicon [J].

Ledung, G ;

Bergkvist, M ;

Quist, AP ;

Gelius, U ;

Carlsson, J ;

Oscarsson, S .

LANGMUIR, 2001, 17 (20) :6056-6058

[14] Molecular rectifying diodes from self-assembly on silicon [J].

Lenfant, S ;

Krzeminski, C ;

Delerue, C ;

Allan, G ;

Vuillaume, D .

NANO LETTERS, 2003, 3 (06) :741-746

[15] Functionalized silicon membranes for selective bio-organism capture [J].

Létant, SE ;

Hart, BR ;

Van Buuren, AW ;

Terminello, LJ .

NATURE MATERIALS, 2003, 2 (06) :391-396

[16]

Lueth H., 1995, SURFACE INTERFACES S

[17]

MacBeath G, 2000, SCIENCE, V289, P1760

[18] SPECIAL POINTS FOR BRILLOUIN-ZONE INTEGRATIONS [J].

CHADI, DJ .

PHYSICAL REVIEW B, 1977, 16 (04) :1746-1747

[19] STRUCTURE OF SI(100)H - DEPENDENCE ON THE H-CHEMICAL POTENTIAL [J].

NORTHRUP, JE .

PHYSICAL REVIEW B, 1991, 44 (03) :1419-1422

[20] ATOMS, MOLECULES, SOLIDS, AND SURFACES - APPLICATIONS OF THE GENERALIZED GRADIENT APPROXIMATION FOR EXCHANGE AND CORRELATION [J].

PERDEW, JP ;

CHEVARY, JA ;

VOSKO, SH ;

JACKSON, KA ;

PEDERSON, MR ;

SINGH, DJ ;

FIOLHAIS, C .

PHYSICAL REVIEW B, 1992, 46 (11) :6671-6687

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