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.
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. © IOP Publishing Ltd.
Oxygen-mediated electron transport through hybrid silicon-organic interfaces / Bonferroni, Benedetta; Ferretti, Andrea; Calzolari, Arrigo; Ruini, Alice; Caldas, Marilia J.; Molinari, Elisa. - In: NANOTECHNOLOGY. - ISSN 0957-4484. - STAMPA. - 19:28(2008), pp. 285201-285205.
Data di pubblicazione: | 2008 |
Titolo: | Oxygen-mediated electron transport through hybrid silicon-organic interfaces |
Autore/i: | Bonferroni, Benedetta; Ferretti, Andrea; Calzolari, Arrigo; Ruini, Alice; Caldas, Marilia J.; Molinari, Elisa |
Autore/i UNIMORE: | |
Digital Object Identifier (DOI): | http://dx.doi.org/10.1088/0957-4484/19/28/285201 |
Rivista: | |
Volume: | 19 |
Fascicolo: | 28 |
Pagina iniziale: | 285201 |
Pagina finale: | 285205 |
Codice identificativo ISI: | WOS:000256838200001 |
Codice identificativo Scopus: | 2-s2.0-44949179725 |
Codice identificativo Pubmed: | 21828725 |
Citazione: | Oxygen-mediated electron transport through hybrid silicon-organic interfaces / Bonferroni, Benedetta; Ferretti, Andrea; Calzolari, Arrigo; Ruini, Alice; Caldas, Marilia J.; Molinari, Elisa. - In: NANOTECHNOLOGY. - ISSN 0957-4484. - STAMPA. - 19:28(2008), pp. 285201-285205. |
Tipologia | Articolo su rivista |
File in questo prodotto:

I documenti presenti in Iris Unimore sono rilasciati con licenza Creative Commons Attribuzione - Non commerciale - Non opere derivate 3.0 Italia, salvo diversa indicazione.
In caso di violazione di copyright, contattare Supporto Iris