Electrical properties and mechanical stability of anchoring groups for single-molecule electronics

nano Online ◽  
2016 ◽  
Author(s):  
Riccardo Frisenda ◽  
Simge Tarkuç ◽  
Elena Galán ◽  
Mickael Perrin ◽  
Rienk Eelkema ◽  
...  
2015 ◽  
Vol 6 ◽  
pp. 1558-1567 ◽  
Author(s):  
Riccardo Frisenda ◽  
Simge Tarkuç ◽  
Elena Galán ◽  
Mickael L Perrin ◽  
Rienk Eelkema ◽  
...  

We report on an experimental investigation of transport through single molecules, trapped between two gold nano-electrodes fabricated with the mechanically controlled break junction (MCBJ) technique. The four molecules studied share the same core structure, namely oligo(phenylene ethynylene) (OPE3), while having different aurophilic anchoring groups: thiol (SAc), methyl sulfide (SMe), pyridyl (Py) and amine (NH2). The focus of this paper is on the combined characterization of the electrical and mechanical properties determined by the anchoring groups. From conductance histograms we find that thiol anchored molecules provide the highest conductance; a single-level model fit to current–voltage characteristics suggests that SAc groups exhibit a higher electronic coupling to the electrodes, together with better level alignment than the other three groups. An analysis of the mechanical stability, recording the lifetime in a self-breaking method, shows that Py and SAc yield the most stable junctions while SMe form short-lived junctions. Density functional theory combined with non-equlibrium Green’s function calculations help in elucidating the experimental findings.


2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Jinshi Li ◽  
Pingchuan Shen ◽  
Shijie Zhen ◽  
Chun Tang ◽  
Yiling Ye ◽  
...  

AbstractMolecular potentiometers that can indicate displacement-conductance relationship, and predict and control molecular conductance are of significant importance but rarely developed. Herein, single-molecule potentiometers are designed based on ortho-pentaphenylene. The ortho-pentaphenylene derivatives with anchoring groups adopt multiple folded conformers and undergo conformational interconversion in solutions. Solvent-sensitive multiple conductance originating from different conformers is recorded by scanning tunneling microscopy break junction technique. These pseudo-elastic folded molecules can be stretched and compressed by mechanical force along with a variable conductance by up to two orders of magnitude, providing an impressively higher switching factor (114) than the reported values (ca. 1~25). The multichannel conductance governed by through-space and through-bond conducting pathways is rationalized as the charge transport mechanism for the folded ortho-pentaphenylene derivatives. These findings shed light on exploring robust single-molecule potentiometers based on helical structures, and are conducive to fundamental understanding of charge transport in higher-order helical molecules.


Nanoscale ◽  
2014 ◽  
Vol 6 (12) ◽  
pp. 6953-6958 ◽  
Author(s):  
Y. J. Dappe ◽  
C. González ◽  
J. C. Cuevas

We present anab initiostudy of the use of carbon-based tips as electrodes in single-molecule junctions. We show that carbon tips can be combined with other carbon nanostructures to form all-carbon molecular junctions with molecules like benzene or C60. Results show that the use of carbon tips can lead to conductive molecular junctions and open new perspectives in all-carbon molecular electronics.


2018 ◽  
Vol 2018 (HiTEC) ◽  
pp. 000148-000153
Author(s):  
Kenneth P. Dowhower

Abstract The electrical interconnect is an essential component of most electrical system configurations. The ability of the interconnect interface to reliably transmit power and / or data throughout the system is critical to its overall performance. Degradation of the mechanical or electrical properties of the interface can reduce the system performance or in severe cases, make it inoperable. There are several factors which can inhibit the performance of the interconnect, one of most severe is long term exposure to elevated temperatures. This effect can also be accelerated when combined with other severe environmental conditions such as high vibration and physical shock, which are often found in down hole oil and gas well drilling applications. This type of exposure can significantly degrade the essential properties of a reliable electrical interface such as contact resistance, mechanical stability, and electrical isolation. This paper will present options for design features and material properties that can be incorporated into an interconnect design that will mitigate these adverse effects. Specifically, this paper addresses the material properties of the contact interface and its surface treatment, the mechanical and electrical properties of the insulating material, the robustness of the mating features and the contact retention system. Two key features of the contact interface that are discussed are the stability of its electrical resistance and the robustness of its mechanical retention. Long term exposure to high temperatures typically induces stress relaxation in the compliant members of the contact interface that are required to produce a stable, low resistance interface, while allowing for a high level of mate / unmate durability. Stress relaxation can also reduce the mechanical stability of the contact interface where metal or plastic retention features are utilized. In the case of retention through epoxy bonding, imparting thermal stress at the bonding surface can result in loss of adhesion and / or retention. The surface treatment of the contact interface has also been shown to be a contributing factor in its electrical stability in high temperature applications. Typically, the interface is plated with a hard gold over nickel finish, which provides a noble interface that is corrosion resistant, but with the hardness required to withstand many mate / unmate cycles. A small percentage of nickel or cobalt are typically alloyed with the gold to produce the required hardness. In most applications, it has minimal impact on the overall resistance of the contact interface. In high temperature applications, however, it can tend to diffuse through the gold to the contact interface. Since these materials have a higher resistivity, they can negatively affect the resistance of the interface. The impact of this effect is reviewed in this paper. Finally, results of the evaluations on high temperature insulating materials and bonding epoxies are presented in this paper. The mechanical and dielectric stability of the insulating materials and the adhesion properties of the epoxy used for contact retention were the primary concerns for their evaluation. The verification tests that included at temperature exposure were conducted at +260°C to simulate extreme use cases for most down hole applications.


2020 ◽  
Vol 6 (13) ◽  
pp. eaay5999 ◽  
Author(s):  
Steffen M. Sedlak ◽  
Leonard C. Schendel ◽  
Hermann E. Gaub ◽  
Rafael C. Bernardi

Macromolecules tend to respond to applied forces in many different ways. Chemistry at high shear forces can be intriguing, with relatively soft bonds becoming very stiff in specific force-loading geometries. Largely used in bionanotechnology, an important case is the streptavidin (SA)/biotin interaction. Although SA’s four subunits have the same affinity, we find that the forces required to break the SA/biotin bond depend strongly on the attachment geometry. With AFM-based single-molecule force spectroscopy (SMFS), we measured unbinding forces of biotin from different SA subunits to range from 100 to more than 400 pN. Using a wide-sampling approach, we carried out hundreds of all-atom steered molecular dynamics (SMD) simulations for the entire system, including molecular linkers. Our strategy revealed the molecular mechanism that causes a fourfold difference in mechanical stability: Certain force-loading geometries induce conformational changes in SA’s binding pocket lowering the energy barrier, which biotin has to overcome to escape the pocket.


Nanoscale ◽  
2019 ◽  
Vol 11 (34) ◽  
pp. 15871-15880 ◽  
Author(s):  
L. Herrer ◽  
A. Ismael ◽  
S. Martín ◽  
D. C. Milan ◽  
J. L. Serrano ◽  
...  

The electrical properties of a bidentate molecule in both large area devices and at the single molecule level have been explored and exhibit a conductance one order of magnitude higher than that of monodentate materials with same molecular skeleton.


Author(s):  
Takuji Ogawa ◽  
Murni Handayani ◽  
Tomoko Inose ◽  
Takashi Tamaki ◽  
Minoru Fukumori ◽  
...  

2018 ◽  
Vol 115 (34) ◽  
pp. 8575-8580 ◽  
Author(s):  
Rustem I. Litvinov ◽  
Olga Kononova ◽  
Artem Zhmurov ◽  
Kenneth A. Marx ◽  
Valeri Barsegov ◽  
...  

Fibrin formation and mechanical stability are essential in thrombosis and hemostasis. To reveal how mechanical load impacts fibrin, we carried out optical trap-based single-molecule forced unbinding experiments. The strength of noncovalent A:a knob-hole bond stabilizing fibrin polymers first increases with tensile force (catch bonds) and then decreases with force when the force exceeds a critical value (slip bonds). To provide the structural basis of catch–slip-bond behavior, we analyzed crystal structures and performed molecular modeling of A:a knob-hole complex. The movable flap (residues γ295 to γ305) containing the weak calcium-binding site γ2 serves as a tension sensor. Flap dissociation from the B domain in the γ-nodule and translocation to knob ‘A’ triggers hole ‘a’ closure, resulting in the increase of binding affinity and prolonged bond lifetimes. The discovery of biphasic kinetics of knob-hole bond rupture is quantitatively explained by using a theory, formulated in terms of structural transitions in the binding pocket between the low-affinity (slip) and high-affinity (catch) states. We provide a general framework to understand the mechanical response of protein pairs capable of tension-induced remodeling of their association interface. Strengthening of the A:a knob-hole bonds at 30- to 40-pN forces might favor formation of nascent fibrin clots subject to hydrodynamic shear in vivo.


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