Chemisorption of ferrocene on Si(111)–Ag<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si6.gif" overflow="scroll"><mml:msqrt><mml:mn>3</mml:mn></mml:msqrt></mml:math>: Frustrated conformational flexibility

Tegenkamp, Christoph; Schmeidel, Jȩdrzej; Pfnür, H.

doi:10.1016/j.susc.2010.10.027

Cited by 5 publications

(11 citation statements)

References 18 publications

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“…A molecular wire, containing ferrocene as the central functional molecular unit, has been reported to exhibit remarkably high conductance in comparison to an organic wire of similar length without ferrocene unit . Most recent research with ferrocene as functional unit has been done with thiols as end groups and noble metals as electrode materials, such as Ag or Au . The Au‐thiol bond is known to be strong and very robust, and several experiments have been carried out with this combination .…”

Section: Introductionmentioning

confidence: 99%

Charge Transport through Ferrocene 1,1′‐Diamine Single‐Molecule Junctions

Kanthasamy

Ring

Nettelroth

et al. 2016

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The charge transport through ferrocene 1,1′‐diamine (FDA) molecules between gold electrodes is investigated using the mechanically controllable break junction technique combined with a theoretical framework of density functional theory simulations to understand the physics of these molecular junctions. The characteristic conductances of the molecule are measured at low bias as well as current–voltage (IV) characteristics. By fitting the IV characteristics to the single‐level model, the values for the position of the molecular level, mainly responsible for the transport, and its coupling to the leads, are obtained. The influence of the binding sites, molecular conformation, and electrode distance are systematically studied from a theoretical perspective. While a strong dependence of conductance on the adsorption geometry is found, the decrease of conductance as a function of electrode distance arises mainly from a decrease of coupling strength of the molecular electronic orbitals through a reduced overlap and, to a lesser extent, from a shift of their alignment with respect to the Fermi energy.

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Section: Introductionmentioning

confidence: 99%

Charge Transport through Ferrocene 1,1′‐Diamine Single‐Molecule Junctions

Kanthasamy

Ring

Nettelroth

et al. 2016

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“…On account of this, the surface chemistry of metallocenes has been studied for different applications . In general, ferrocene, [Fe(C 5 H 5 ) 2 ], is a well‐known system for a class of three‐dimensional metallocene molecules, and adsorption experiments of the ferrocene on metal surfaces have been performed for different applications . Tegenkamp et al reported the chemisorption of thiol‐modified ferrocene molecule on Si(111)‐Ag√3×√3 surface.…”

Section: Introductionmentioning

confidence: 99%

“…Si(111)‐Ag√3×√3 surface has several advantages over single crystalline surfaces. This reconstruction of surface possesses a well‐defined metallic surface state, which is energetically well separated from bulk states . Tegenkamp et al showed that the conformational flexibility of the free ferrocene is restricted due to the formation of AgS bonds.…”

Section: Introductionmentioning

confidence: 99%

“…[5][6][7][8][9][10][11][12] In general, ferrocene, [Fe(C 5 H 5 ) 2 ], is a well-known system for a class of three-dimensional metallocene molecules, and adsorption experiments of the ferrocene on metal surfaces have been performed for different applications. [13][14][15] Tegenkamp et al reported the chemisorption of thiol-modified ferrocene molecule on Si(111)-Agͱ33ͱ3 surface. Si(111)-Agͱ33ͱ3 surface has several advantages over single crystalline surfaces.…”

Section: Introductionmentioning

confidence: 99%

“…This reconstruction of surface possesses a well‐defined metallic surface state, which is energetically well separated from bulk states . Tegenkamp et al showed that the conformational flexibility of the free ferrocene is restricted due to the formation of AgS bonds. Previous experimental studies reported that the thiol‐modified metallocene molecules contacted with the surface via the sulfur atoms.…”

Section: Introductionmentioning

confidence: 99%

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Chemisorption of thiol‐functionalized metallocene molecules on Si(111)‐ Ag√3×√3 surface: A density functional theory study

Özkaya

Demirel

2015

Int J of Quantum Chemistry

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Herein, chemical adsorption properties of the thiol‐functionalized metallocene molecules [M(C5H4SH)2] on Si(111)‐Ag√3×√3 surface were investigated using density functional theory calculation. For this purpose, thiol‐modified ferrocene [Fe(C5H4SH)2], osmocene [Os(C5H4SH)2], and ruthenocene [Ru(C5H4SH)2] molecules were attached on the surface via two different binding models. The more favorable chemical binding energies of [Fe(C5H4SH)2], [Os(C5H4SH)2], and [Ru(C5H4SH)2] molecules were calculated as −3.42, −2.15, and −2.00 eV, respectively. The results showed that the adsorption energies of metallocene molecules change independently by increasing the radius of metal ions where on going down the group of the periodic table. The calculated adsorption energies showed that [Fe(C5H4SH)2] molecule was more stable on the Si(111)‐Ag√3×√3 surface. By calculating the electronic band structure for metallocene/Si(111)‐Ag√3×√3 surfaces, we identified a flat dispersion band in a part of the surface Brillouin zone. © 2015 Wiley Periodicals, Inc.

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Controlling Growth to One Dimension in Nanoislands of Ferrocene-Sugar Derivatives

et al. 2016

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Ferrocenyl-Alkyl-Protected Sugar (Fc-Sug) and Ferrocenyl-Oxo-Alkyl-Protected Sugar (Fc-Oxo-Sug) were deposited on the basal plane of Highly Oriented Pyrolytic Graphite (HOPG) using a drop-casting method. Ultrathin films of these molecules were investigated using Atomic Force Microscopy to understand the growth at low coverage. Both molecules are forming highly ordered one-dimensional molecular islands, which are growing from a dimer building block. The dimer and interdimer interactions (along the length of islands) are stabilized by −C2O···H–C hydrogen bonding. Unlike for Fc-Sug, the islands of Fc-Oxo-Sug are extended to tens of micrometers, and the growth is only limited by terrace edges or other islands on the surface. This exceptional growth of islands is understood in terms of an additional −CO···H–C– hydrogen bonding leading to stronger interdimer interactions along the length of the islands compared to Fc-Sug.

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Chemisorption of ferrocene on Si(111)–Ag3: Frustrated conformational flexibility

Cited by 5 publications

References 18 publications

Charge Transport through Ferrocene 1,1′‐Diamine Single‐Molecule Junctions

Charge Transport through Ferrocene 1,1′‐Diamine Single‐Molecule Junctions

Chemisorption of thiol‐functionalized metallocene molecules on Si(111)‐ Ag√3×√3 surface: A density functional theory study

Controlling Growth to One Dimension in Nanoislands of Ferrocene-Sugar Derivatives

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