Stretching of BDT-gold molecular junctions: thiol or thiolate termination?-Reference-Cited by-同舟云学术

Stretching of BDT-gold molecular junctions: thiol or thiolate termination?

Published:2014 Issue:23 Volume:6 Page:14495-14507
ISSN:2040-3364
Container-title:Nanoscale
language:en
Short-container-title:Nanoscale

Author:

Souza Amaury de Melo¹²³⁴,Rungger Ivan¹²³⁴,Pontes Renato Borges⁵⁶⁷,Rocha Alexandre Reily⁸⁹,da Silva Antônio José Roque⁵¹⁰¹¹⁹¹²,Schwingenschlöegl Udo¹³¹⁴¹⁵,Sanvito Stefano¹²³⁴

Affiliation:

1. School of Physics

2. AMBER and CRANN

3. Trinity College Dublin

4. , Ireland

5. Instituto de Física

6. Universidade Federal de Goiás

7. , Brazil

8. Instituto de Física Teórica – Universidade Estadual Paulista

9. São Paulo-SP, Brazil

10. Universidade de São Paulo

11. Cidade Universitária

12. Laboratório Nacional de Luz Sincroton LNLS

13. PSE Division

14. KAUST

15. Thuwal 23955-6900, Saudi Arabia

Abstract

New insights on the conductivity of gold-BDT molecular junctions. Stability and transport calculations show that both thiol and thiolate junctions are possible and further their conductance show opposite trend under stretching.

Publisher

Royal Society of Chemistry (RSC)

Subject

General Materials Science

Link

http://pubs.rsc.org/en/content/articlepdf/2014/NR/C4NR04081C

Reference89 articles.

1. Conductance of a Molecular Junction

2. High-conductance states of single benzenedithiol molecules

3. Identifying molecular signatures in metal-molecule-metal junctions

4. Electrochemically Assisted Fabrication of Metal Atomic Wires and Molecular Junctions by MCBJ and STM-BJ Methods

5. Measurement of Single Molecule Conductance: Benzenedithiol and Benzenedimethanethiol

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