Adsorption and self-assembly of porphyrins on ultrathin CoO films on Ir(100)

• Feifei Xiang,
• Tobias Schmitt,
• Marco Raschmann and
• M. Alexander Schneider

Beilstein J. Nanotechnol. 2020, 11, 1516–1524, doi:10.3762/bjnano.11.134

• , due to the rather flat potential landscape, molecular rotation is thermally activated, which effectively prevents self-assembly. The situation is different for 2H-TCNPP, which, due to the additional functional anchoring groups, does not self-assemble on the 1BL film but forms self-assembled compact

Comparing a porphyrin- and a coumarin-based dye adsorbed on NiO(001)

• Sara Freund,
• Antoine Hinaut,
• Nathalie Marinakis,
• Edwin C. Constable,
• Ernst Meyer,
• Catherine E. Housecroft and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2019, 10, 874–881, doi:10.3762/bjnano.10.88

• mesh parameters, the corresponding models in Figure 3d,e can be established. Knowing that Cu-TCPP has a fourfold symmetrical structure with four equivalent anchoring groups, it is assumed, that Cu-TCPP lies flat and is commensurate with the surface of NiO(001). Considering the partial charge

Anchoring of a dye precursor on NiO(001) studied by non-contact atomic force microscopy

• Sara Freund,
• Antoine Hinaut,
• Nathalie Marinakis,
• Edwin C. Constable,
• Ernst Meyer,
• Catherine E. Housecroft and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2018, 9, 242–249, doi:10.3762/bjnano.9.26

• ligand to complete the active dye [43][44][45]. We present in this paper, high-resolution structural and electrical measurements obtained by nc-AFM of a typical anchoring ligand (DCPDMbpy), based on a 6,6′-dimethyl-2,2′-bipyridine metal-binding domain with two 4-carboxyphenyl anchoring groups (see Figure

Inelastic electron tunneling spectroscopy of difurylethene-based photochromic single-molecule junctions

• Youngsang Kim,
• Safa G. Bahoosh,
• Dmytro Sysoiev,
• Thomas Huhn,
• Fabian Pauly and
• Elke Scheer

Beilstein J. Nanotechnol. 2017, 8, 2606–2614, doi:10.3762/bjnano.8.261

• HOMO energy is closer to the Fermi energy than the LUMO level, as typical for sulfur anchoring groups [37]. In Figure 2c, we show the wavefunctions of the dominant eigenchannel at EF for the closed and open forms for electrons that enter from the left side. The electric transport mainly proceeds

Adsorbate-driven cooling of carbene-based molecular junctions

• Giuseppe Foti and
• Héctor Vázquez

Beilstein J. Nanotechnol. 2017, 8, 2060–2068, doi:10.3762/bjnano.8.206

• adsorbate is fundamentally different from that of anchoring groups in molecular junctions (R–NH2): here NH2 acts as an acceptor, while as anchoring group, amines are electron donors [42]. In Supporting Information File 1, we show a comparison of the plane-averaged electron density difference upon adsorption

Stable Au–C bonds to the substrate for fullerene-based nanostructures

• Taras Chutora,
• Jesús Redondo,
• Bruno de la Torre,
• Martin Švec,
• Pavel Jelínek and
• Héctor Vázquez

Beilstein J. Nanotechnol. 2017, 8, 1073–1079, doi:10.3762/bjnano.8.109

• as well as anchoring groups [9][10][11][12]. They have featured in spin transport studies, where spin currents can be achieved by encapsulating magnetic atoms or impurities inside the fullerene cage [13][14][15][16][17][18]. The adsorption of C60 on the metal surface determines the strength and

Calculating free energies of organic molecules on insulating substrates

• Julian Gaberle,
• David Z. Gao and
• Alexander L. Shluger

Beilstein J. Nanotechnol. 2017, 8, 667–674, doi:10.3762/bjnano.8.71

• molecular dynamics. Both molecules contain the same anchoring groups and benzene ring structures, yet differ in their flexibility. Therefore, the entropic contributions to their free energy differ, which affects surface processes. Using potential of mean force and thermodynamic integration techniques, free

α-((4-Cyanobenzoyl)oxy)-ω-methyl poly(ethylene glycol): a new stabilizer for silver nanoparticles

• Jana Lutze,
• Miguel A. Bañares,
• Marcos Pita,
• Andrea Haase,
• Andreas Luch and
• Andreas Taubert

Beilstein J. Nanotechnol. 2017, 8, 627–635, doi:10.3762/bjnano.8.67

• be desirable (such as situations, where thiols may form thiyl radicals leading to protein degradation and cause diseases such as cancer) [34][35]. Hence, there is an interest in alternative anchoring groups with a similar or better anchoring efficiency. Among the possible candidates are the amine and

Performance of natural-dye-sensitized solar cells by ZnO nanorod and nanowall enhanced photoelectrodes

• Saif Saadaoui,
• Mohamed Aziz Ben Youssef,
• Moufida Ben Karoui,
• Rached Gharbi,
• Emanuele Smecca,
• Vincenzina Strano,
• Salvo Mirabella,
• Alessandra Alberti and
• Rosaria A. Puglisi

Beilstein J. Nanotechnol. 2017, 8, 287–295, doi:10.3762/bjnano.8.31

• cells (DSSCs). Fourier transform infrared (FTIR) spectra of the extract revealed the presence of anchoring groups and coloring constituents. Two different structures were prepared by chemical bath deposition (CBD) using zinc oxide (ZnO) layers to obtain ZnO nanowall (NW) or nanorod (NR) layers employed

Solvent-mediated conductance increase of dodecanethiol-stabilized gold nanoparticle monolayers

• Patrick A. Reissner,
• Jean-Nicolas Tisserant,
• Antoni Sánchez-Ferrer,
• Raffaele Mezzenga and
• Andreas Stemmer

Beilstein J. Nanotechnol. 2016, 7, 2057–2064, doi:10.3762/bjnano.7.196

• networks; Self-assembly; Introduction Ordered gold nanoparticle monolayers are increasingly applied as templates for molecular resistor networks [1][2][3][4][5][6][7][8]. Gold nanoparticles serve as conducting nodes and different molecules can bind to the gold nanoparticle using anchoring groups such as

Scanning probe microscopy studies on the adsorption of selected molecular dyes on titania

• Jakub S. Prauzner-Bechcicki,
• Lukasz Zajac,
• Piotr Olszowski,
• Res Jöhr,
• Antoine Hinaut,
• Thilo Glatzel,
• Bartosz Such,
• Ernst Meyer and
• Marek Szymonski

Beilstein J. Nanotechnol. 2016, 7, 1642–1653, doi:10.3762/bjnano.7.156

• deposition, or the necessity of some surface pre-treatment), (2) the structure of the deposited molecule (e.g., specific anchoring groups), and (3) a particular balance of the molecule–molecule and molecule–substrate interactions (e.g., different faces of the same bulk material may have distinct properties

Invariance of molecular charge transport upon changes of extended molecule size and several related issues

• Ioan Bâldea

Beilstein J. Nanotechnol. 2016, 7, 418–431, doi:10.3762/bjnano.7.37

• particularly true in (chemisorption) cases where the anchoring groups form covalent bonds to the electrodes. Within current approaches to molecular charge transport, mostly based on nonequilibrium Keldysh Green’s functions (NEGF) combined with density functional theory (DFT), the molecular device is

• , which quantify the hopping between the left and right molecular ends (“anchoring groups”, denoted by labels 1 and N, respectively) and the adjacent electrode ends (labels l = 1 and r = 1 for left and right electrodes in Equation 9). In Equation 9, the small molecule, which needs not to be one

Rigid multipodal platforms for metal surfaces

• Michal Valášek,
• Marcin Lindner and
• Marcel Mayor

Beilstein J. Nanotechnol. 2016, 7, 374–405, doi:10.3762/bjnano.7.34

• approaches towards assembling and organizing functional molecules into specific architectures on metal substrates are reviewed here. Particular attention is paid to variations of both, the core structures and the anchoring groups. Furthermore, the analytical methods enabling the investigation of individual

• molecules as well as monomolecular layers of ordered platform structures are summarized. The presented multipodal platforms bearing several anchoring groups form considerably more stable molecule–metal contacts than corresponding monopodal analogues and exhibit an enlarged separation of the functional

• building blocks and to integrate them into electric circuits between the macroscopic electrodes, where a sufficiently strong binding between two terminal anchoring groups of the bridging molecule and the metal electrode is achieved. Only if this requirement is met, the control over the electronic

High electronic couplings of single mesitylene molecular junctions

• Yuki Komoto,
• Shintaro Fujii,
• Tomoaki Nishino and
• Manabu Kiguchi

Beilstein J. Nanotechnol. 2015, 6, 2431–2437, doi:10.3762/bjnano.6.251

• electronics. To bind a single molecule to metal electrodes, anchoring groups such as –SH [14] and –NH2 or (R)3–N [15][16] have been used. Such anchoring groups form strong chemical bonds with metal electrodes and the anchoring regions act as resistive space, leading to low electronic conductances of the

• single molecular junctions. Recently several groups [17][18][19][20] including ours [17][21][22] developed a direct π-binding technique, where a π-conjugated molecule is directly bound to metal electrodes without anchoring groups. The direct π-binding technique has been applied for various systems such

• experimentally obtained I–V characteristics to the Breit-Wigner model, the metal–molecule coupling Γ, and energy difference between Fermi level and conduction orbital ε0 are obtained. This I–V analysis has been applied for molecular junctions with a variety of anchoring groups. For example Γ = 60 meV and ε0

Electrospray deposition of organic molecules on bulk insulator surfaces

• Antoine Hinaut,
• Rémy Pawlak,
• Ernst Meyer and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2015, 6, 1927–1934, doi:10.3762/bjnano.6.195

• molecules which are more suitable for future devices and could incorporate additional functions and anchoring groups. In this work we present the adaptation of a UHV-ESI system to deposit triply fused porphyrin molecules on a bulk insulator KBr(001) sample and the analysis of theses deposits by high

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

• Riccardo Frisenda,
• Simge Tarkuç,
• Elena Galán,
• Mickael L. Perrin,
• Rienk Eelkema,
• Ferdinand C. Grozema and
• Herre S. J. van der Zant

Beilstein J. Nanotechnol. 2015, 6, 1558–1567, doi:10.3762/bjnano.6.159

• 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

• theory combined with non-equlibrium Green’s function calculations help in elucidating the experimental findings. Keywords: anchoring groups; coherent transport; current–voltage; molecular electronics; single molecule; Introduction Molecular-scale electronics is a field that in recent years experienced

Enhanced fullerene–Au(111) coupling in (2√3 × 2√3)R30° superstructures with intermolecular interactions

• Michael Paßens,
• Rainer Waser and
• Silvia Karthäuser

Beilstein J. Nanotechnol. 2015, 6, 1421–1431, doi:10.3762/bjnano.6.147

• extensively studied self-assembled systems due to their rich structural and electronic properties [1]. A considerable interest in C60 films arises from their use in photovoltaic cells [2][3] and potential applications in molecular electronics [4]. Likewise, C60 molecules can be used as chemical anchoring

• groups to bind functional molecules to electrodes and thus, to construct electronic circuits. In this case, charge transport takes place through the fullerenes and crucially depends on the electrode coupling of C60 [5][6][7]. Therefore, it is essential to understand in detail the interactions at the C60

Electrical characterization of single molecule and Langmuir–Blodgett monomolecular films of a pyridine-terminated oligo(phenylene-ethynylene) derivative

• Henrry M. Osorio,
• Santiago Martín,
• María Carmen López,
• Santiago Marqués-González,
• Simon J. Higgins,
• Richard J. Nichols,
• Paul J. Low and
• Pilar Cea

Beilstein J. Nanotechnol. 2015, 6, 1145–1157, doi:10.3762/bjnano.6.116

• other LB films), the conductance value for compound 1 is 3–20 times greater than for LB films of other oligo(phenylene-ethynylene) (OPE) derivatives bearing anchoring groups such as thiol (–SH), amine (–NH2), carboxylate (–COO−), trimethylsilylethynyl (–C≡CSiMe3) or acetylide (–C≡C) [23][24][30][45

• efficient pyridyl–Au contacts. Previous contributions in the field have shown that the charge transport in molecular wires incorporating electron-withdrawing pyridyl-type anchoring groups is preferentially controlled by the lowest unoccupied molecular orbital (LUMO). That is, the pyridyl group decreases the

• value in LB films is higher than the values of monomolecular LB films of OPE derivatives containing other anchoring groups (thiol, amine, carboxylic acid, trimethylsilylethynyl or acetylene). Experimental Synthesis General conditions. All reactions were carried out in oven-dried glassware under an

The influence of molecular mobility on the properties of networks of gold nanoparticles and organic ligands

• Edwin J. Devid,
• Paulo N. Martinho,
• M. Venkata Kamalakar,
• Úna Prendergast,
• Christian Kübel,
• Tibebe Lemma,
• Jean-François Dayen,
• Tia. E. Keyes,
• Bernard Doudin,
• Mario Ruben and
• Sense Jan van der Molen

Beilstein J. Nanotechnol. 2014, 5, 1664–1674, doi:10.3762/bjnano.5.177

• with acetyl-protected thiol anchoring groups facilitates the contact to noble and coinage metal electrodes [18]. In this study, we report on the fabrication of 2D single-layer ligand–gold nanoparticle arrays (and multilayer ligand–gold nanoparticle networks) formed by gold nanoparticles covered by

DFT study of binding and electron transfer from colorless aromatic pollutants to a TiO₂ nanocluster: Application to photocatalytic degradation under visible light irradiation

• Corneliu I. Oprea,
• Petre Panait and
• Mihai A. Gîrţu

Beilstein J. Nanotechnol. 2014, 5, 1016–1030, doi:10.3762/bjnano.5.115

• ]. Theoretically, density functional theory (DFT) calculations showed [21][22][23] that the binding of the carboxy group to titania is bidentate bridging, with the monodentate anchoring being less stable [24][25][26][27]. The higher performance of the dyes with both carboxy and hydroxy anchoring groups [28] has

• led us to revisit earlier studies of a dye with three types of anchoring groups: –OH, –COOH and –SO3H [29][30]. We showed that although the salicylate does use both the carboxy and hydroxy substituent groups, the binding configuration is not bidentate chelate, as previously thought [14][18][19][20

An NC-AFM and KPFM study of the adsorption of a triphenylene derivative on KBr(001)

• Antoine Hinaut,
• Adeline Pujol,
• Florian Chaumeton,
• David Martrou,
• André Gourdon and
• Sébastien Gauthier

Beilstein J. Nanotechnol. 2012, 3, 221–229, doi:10.3762/bjnano.3.25

• adjacent K+ sites on nonpolar steps, as shown for truxene molecules [11]. The origin of the molecular aggregates observed in Figure 2 and Figure 3 is less clear. As indicated previously a single molecule diffuses at room temperature despite its six CN anchoring groups. A lower estimate of the distance that

Surface functionalization of aluminosilicate nanotubes with organic molecules

• Wei Ma,
• Weng On Yah,
• Hideyuki Otsuka and
• Atsushi Takahara

Beilstein J. Nanotechnol. 2012, 3, 82–100, doi:10.3762/bjnano.3.10

• component adsorption, abundance of empty surface sites for covalent binding of acidic anchoring groups, and high stability under ambient conditions. A more promising approach to render aluminosilicate nanotubes semiconducting is by functionalization with conjugated molecules, such as terthiophene with alkyl

Self-assembled monolayers and titanium dioxide: From surface patterning to potential applications

• Yaron Paz

Beilstein J. Nanotechnol. 2011, 2, 845–861, doi:10.3762/bjnano.2.94

Towards quantitative accuracy in first-principles transport calculations: The GW method applied to alkane/gold junctions

• Mikkel Strange and
• Kristian S. Thygesen

Beilstein J. Nanotechnol. 2011, 2, 746–754, doi:10.3762/bjnano.2.82

• can be bound directly to gold electrodes without the use of anchoring groups [51]. The transport mechanism in (short) saturated molecular wires is coherent tunneling through molecular orbitals with energy far from the Fermi energy. The trend of conductance versus chain length (n) thus follows an

Charge transport in a zinc–porphyrin single-molecule junction

• Mickael L. Perrin,
• Christian A. Martin,
• Ferry Prins,
• Ahson J. Shaikh,
• Rienk Eelkema,
• Jan H. van Esch,
• Jan M. van Ruitenbeek,
• Herre S. J. van der Zant and
• Diana Dulić

Beilstein J. Nanotechnol. 2011, 2, 714–719, doi:10.3762/bjnano.2.77

• displacement. Such low-bias transport measurements have been extensively used to study the dependence of the molecular conductance on the length [1][2], conformation [3][4] and anchoring groups [5][6] of rod-like molecules. However, as the bias range is very limited, the main contribution to the current is off

• molecule are used as anchoring groups. After deposition, the junctions are broken in vacuum at room temperature. The aforementioned stability of the electrodes allows us to characterize charge transport through ZnTPPdT–Pyr by performing two types of experiments. First, we measure at room temperature the