Oxygen-mediated electron transport through hybrid silicon-organic interfaces

被引：7

作者：

Bonferroni, Benedetta ^{[1
,3
]}

Ferretti, Andrea ^{[1
,3
]}

Calzolari, Arrigo ^{[3
]}

Ruini, Alice ^{[1
,3
]}

Caldas, Marilia J. ^{[2
]}

Molinari, Elisa ^{[1
,3
]}

机构：

[1] Univ Modena & Reggio Emilia, Dipartimento Fis, I-41100 Modena, Italy

[2] Univ Sao Paulo, Inst Fis, BR-00550890 Sao Paulo, Brazil

[3] INFM CNR S3 Natl Ctr NanoStruct & BioSyst Surface, I-41100 Modena, Italy

来源：

NANOTECHNOLOGY | 2008年 / 19卷 / 28期

关键词：

D O I：

10.1088/0957-4484/19/28/285201

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

We investigate from first principles the electronic and transport properties of hybrid organic/silicon interfaces of relevance to molecular electronics. We focus on conjugated molecules bonded to hydrogenated Si through hydroxyl or thiol groups. The electronic structure of the systems is addressed within density functional theory, and the electron transport across the interface is directly evaluated within the Landauer approach. The microscopic effects of molecule-substrate bonding on the transport efficiency are explicitly analyzed, and the oxygen-bonded interface is identified as a candidate system when preferential hole transfer is needed.

引用

页数：5

共 32 条

[1] Nanotribological properties and mechanisms of alkylthiol and biphenyl thiol self-assembled monolayers studied by AFM [J].

Bhushan, B ;

Liu, HW .

PHYSICAL REVIEW B, 2001, 63 (24)

[2]

BONFERRONI B, 2008, UNPUB

[3]

BUONGIORNO M, 1999, PHYS REV B, V60, P7828

[4] Trimming Si surfaces for molecular electronics [J].

Caldas, M. J. ;

Calzolari, A. ;

Cucinotta, C. S. .

JOURNAL OF APPLIED PHYSICS, 2007, 101 (08)

[5] Surface nanopatterning through styrene adsorption on Si(100) [J].

Calzolari, A ;

Ruini, A ;

Molinari, E ;

Caldas, MJ .

PHYSICAL REVIEW B, 2006, 73 (12)

[6] Ab initio transport properties of nanostructures from maximally localized Wannier functions -: art. no. 035108 [J].

Calzolari, A ;

Marzari, N ;

Souza, I ;

Nardelli, MB .

PHYSICAL REVIEW B, 2004, 69 (03)

[7] First-principles investigation of functionalization-defects on silicon surfaces [J].

Cucinotta, C. S. ;

Bonferroni, B. ;

Ferretti, A. ;

Ruini, A. ;

Caldas, M. J. ;

Molinari, E. .

SURFACE SCIENCE, 2006, 600 (18) :3892-3897

[8] 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

[9]

Datta S., 1997, Electronic Transport in Mesoscopic Systems

[10] Ab initio study of transport parameters in polymer crystals -: art. no. 205205 [J].

Ferretti, A ;

Ruini, A ;

Bussi, G ;

Molinari, E ;

Caldas, MJ .

PHYSICAL REVIEW B, 2004, 69 (20) :205205-1

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