Conductance of a single molecule anchored by an isocyanide substituent to gold electrodes

Kiguchi, Manabu; Miura, Shinichi; Hara, Kenji; Sawamura, Masaya; Murakoshi, Kei

doi:10.1063/1.2392816

Cited by 98 publications

(122 citation statements)

References 18 publications

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“…The single-molecule junction we study here is non-metallic, and the electrical resistance is expected to be much higher than that of the Au/1,4-dicyanobenzene/Au junction (6.47 MO) 3,43 . Following the interfacial Wiedemann-Franz law that relates interfacial electrical conductance to its electrical thermal conductance k e (ref.…”

Section: Discussionmentioning

confidence: 99%

The critical power to maintain thermally stable molecular junctions

Wang

2014

Nat Commun

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With the rise of atomic-scale devices such as molecular electronics and scanning probe microscopies, energy transport processes through molecular junctions have attracted notable research interest recently. In this work, heat dissipation and transport across diamond/ benzene/diamond molecular junctions are explored by performing atomistic simulations. We identify the critical power P cr to maintain thermal stability of the junction through efficient dissipation of local heat. We also find that the molecule-probe contact features a powerdependent interfacial thermal resistance R K in the order of 10 9 kW À 1 . Moreover, both P cr and R K display explicit dependence on atomic structures of the junction, force and temperature. For instance, P cr can be elevated in multiple-molecule junctions, and streching the junction enhances R K by a factor of 2. The applications of these findings in molecular electronics and scanning probing measurements are discussed, providing practical guidelines in their rational design.

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Section: Discussionmentioning

confidence: 99%

The critical power to maintain thermally stable molecular junctions

Wang

2014

Nat Commun

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“…1(a)). Details on the experimental design used in this study have been previously reported by our group [6][7][8][9]. The STM tip was made of an Au wire (diameter ~0.25 mm, >99 %).…”

Section: Methodsmentioning

confidence: 99%

“…In order to compare the conductance of the single molecular junction with different end group position, the conductance of the single molecular junction should be precisely determined. Generally, the conductance of the single molecular junction could vary with the experimental condition [6]. The minimization of the variability of the conductance values is critically important in the present study.…”

Section: Introductionmentioning

confidence: 99%

“…To this end, there is great interest in the electron transport through a single molecule bridging between metal electrodes (single molecular junction). The conductance of the single molecular junction has been investigated for various molecules, such as benzenedithiol, alkanedithiol, diaminobiphenyl [2][3][4][5][6][7][8]. While the conductance of the single molecular junctions has been investigated for various molecules, the position of the end group was rather limited.…”

Section: Introductionmentioning

confidence: 99%

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Conductance of single benzenediamine molecule bridging between Au electrodes

Takahashi

Kiguchi

Hara

et al. 2010

Trans. Mat. Res. Soc. Japan

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“…Besides the combination of thiol (SH) and Au electrodes, a variety of anchoring groups has been investigated, such as pyridine, 4 isocyanide, 5,6 carboxylate, 7 selenide, 8 amine, 913 phosphine, 14 C 60 , 15 and carbon 16,17 for various electrodes. In this study, we explored the possibility of using a phosphine sulfide (P=S) bond as a new anchoring group to form single molecule junctions with Au electrodes.…”

mentioning

confidence: 99%

Phosphine Sulfides as an Anchor Unit for Single Molecule Junctions

Fukazawa¹,

Kiguchi²,

Tange³

et al. 2011

Chemistry Letters

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Phenylene and biphenyl compounds with dibenzophosphole sulfide (DBPS) as an anchoring group for single molecule junctions were synthesized. The conductance measurements revealed that the phosphine sulfide indeed acts as an anchoring group for Au electrodes. Theoretical calculations including metal electrodes demonstrated that the LUMO level of the DBPS-terminated biphenyl is close to the Au Fermi level, leading to the electron conduction of the AumoleculeAu junction based on the resonance-tunneling mechanism.Electron-transport properties through single molecules have attracted growing attention as the basis for fabricating ultrasmall electronic devices. 1,2 Recent extensive studies on a variety of single molecule junctions revealed that the electron conduction through a molecule bonded between two metal electrodes highly depends on the nature of anchoring groups, which affects not only the HOMOLUMO energy gap of the whole molecular system, but also the alignment of the energy levels of these frontier MOs against the electrode Fermi level.2,3 The development of a new anchoring group as well as the deep understanding of the conduction mechanism are therefore urgent subjects for the evolution of single molecule electronics. Besides the combination of thiol (SH) and Au electrodes, a variety of anchoring groups has been investigated, such as pyridine, 16,17 for various electrodes. In this study, we explored the possibility of using a phosphine sulfide (P=S) bond as a new anchoring group to form single molecule junctions with Au electrodes. The P=S bond has several characteristics. First, a sulfur atom in the P=S bond has high affinities to various metals, such as Au, Ag, and Cu, leading to strong adsorption.18 Second, phosphine sulfides have high chemical and thermal stability among the various types of organophosphorus compounds, which guarantees their versatile use for the molecular junction. Moreover, the P=S group acts as a strong electron-withdrawing group. We envisioned that the incorporation of a P=S group as an anchor to a certain ³-conjugated skeleton would decrease the LUMO level of the molecular system, 19,20 and thus affect the electron-transport mechanism. To minimize the steric hindrance around the P=S moiety, we decided to employ a dibenzophosphole sulfide (DBPS) skeleton. As a model system, we synthesized the DBPSterminated phenylene 1 and biphenyl-4,4¤-diyl 2 (Figure 1b). We now disclose the electron conductance of these molecular systems and some insights into their conduction mechanism.Compounds 1 and 2 were synthesized in different ways, as shown in Schemes 1 and 2, respectively. The biphenyl derivative 2 was readily prepared by the reaction of P-chlorodibenzophosphole (DBPCl) (10) with 4,4¤-dilithiobiphenyl, followed by the oxidation with elemental sulfur (Scheme 2). However, a similar route based on the reaction between DBPCl and 1,4-dilithiobenzene did not afford 1 at all. Alternatively, by employing P-(4-bromophenyl)-DBP as a precursor, we in situ

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Conductance of a single molecule anchored by an isocyanide substituent to gold electrodes

Cited by 98 publications

References 18 publications

The critical power to maintain thermally stable molecular junctions

The critical power to maintain thermally stable molecular junctions

Conductance of single benzenediamine molecule bridging between Au electrodes

Phosphine Sulfides as an Anchor Unit for Single Molecule Junctions

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