Issue 37, 2010
From the journal:

Physical Chemistry Chemical Physics

Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction

Sang Uck Lee,*a   Hiroshi Mizusekib  and  Yoshiyuki Kawazoeb  

* Corresponding authors

a LG Chem. Ltd., Research Park, Daejeon, Korea
E-mail: deugi@lgchem.com
Fax: + 82-42-861-2057
Tel: +82-42-866-2791

b Institute for Materials Research, Tohoku University, Sendai, Japan
Fax: + 81-22-215-2052
Tel: + 81-22-215-2054

Abstract

We present a systematic analysis of molecular level alignments and electron transport characteristics based on the non-equilibrium Green's function (NEGF) approach combined with density functional theory (DFT) for phenyl dithiol (PDT) derivatives with two different linkages, simple thiol (ST) and tripod-shaped adamantane trithiol (ATT). The substantial adamantane–metal bonds afford a rigid contact structure and well-defined conductance of a single-molecule junction irrespective of interfacial phenomena, which accordingly allows us to utilize the intrinsic nature of the molecule for designing molecular devices with prescribed transport characteristics. We suggest a feasible application of the ATT linkage embedded single-molecule junction to a molecular transistor based on the practical feature of the ATT linkage, which is the unsusceptible behavior of transmission under the applied bias voltage. The present result may serve as an important reference point for designing molecular devices with prescribed transport properties.

Graphical abstract: Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction

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Article information

DOI
https://doi.org/10.1039/C001400A
Article type
Paper
Submitted
21 Jan 2010
Accepted
16 Jun 2010
First published
09 Aug 2010

Phys. Chem. Chem. Phys., 2010,12, 11763-11769

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Rigid adamantane tripod linkage for well-defined conductance of a single-molecule junction

S. U. Lee, H. Mizuseki and Y. Kawazoe, Phys. Chem. Chem. Phys., 2010, 12, 11763 DOI: 10.1039/C001400A

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