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

• also find that the direct influence of adsorbate states is significantly smaller and tends to heat adsorbate vibrations. Our results highlight the important role of molecular adsorbates not only on the electronic and elastic transport properties but also on the current-induced energy exchange and

• electrodes, close to the metal–carbene bond. N-Heterocyclic carbenes (NHCs) have recently attracted much attention because of their interesting electronic properties and their high thermal and mechanical stability [25][26][27]. We recently studied the electronic and elastic transport properties of NHC-based

• junctions anchored to Au(100) electrodes [28]. We reported a strong dependence of transport properties on the atomistic structure of the metal/molecule interface and analyzed its implications on the current-induced damping and excitation of localized molecular vibrations [29]. We considered the case of a

Spin-dependent transport and functional design in organic ferromagnetic devices

• Guichao Hu,
• Shijie Xie,
• Chuankui Wang and
• Carsten Timm

Beilstein J. Nanotechnol. 2017, 8, 1919–1931, doi:10.3762/bjnano.8.192

• research on OFs has focused on the synthesis, measurement, and characterization of the magnetic properties of the isolated molecules. Recently, the progress in organic and molecular spintronics has motivated us to explore the spin-dependent transport properties of OFs and the possibility to design organic

• Hamiltonian involving the electric potential is Here, e is the electronic charge of an electron. The first term is the electric potential of the π-electrons, and the second term is the potential of the ion cores. Before calculating the transport properties, one needs to obtain the stationary structure of the

• 0.9 μA for C4. On the other hand, the current for C3 is strongly suppressed within the calculated bias region. The different transport properties indicate that a multi-state MR effect can be realized by controlling the magnetization orientations of the electrodes and the central OF. One can quantify

(Metallo)porphyrins for potential materials science applications

• Lars Smykalla,
• Carola Mende,
• Michael Fronk,
• Pablo F. Siles,
• Michael Hietschold,
• Georgeta Salvan,
• Dietrich R. T. Zahn,
• Oliver G. Schmidt,
• Tobias Rüffer and
• Heinrich Lang

Beilstein J. Nanotechnol. 2017, 8, 1786–1800, doi:10.3762/bjnano.8.180

• of those ensembles of (metallo)porphyrins in materials science is discussed. Keywords: atomic force microscopy; magneto-optical Kerr effect spectroscopy; scanning tunnelling microscopy and spectroscopy; self-assembly; surface-confined 2D polymerization; transport properties; Review Introduction

• , which enable a better potential to build molecular spintronic devices [4][5][6][7][8][9]. A crucial step and thus, a prerequisite for the reliable implementation of (metallo)porphyrin-based thin films in a device, is the understanding of the electrical response and local transport properties [10

• processes, where thin films are required. Therefore, the understanding of the electrical transport properties of (metallo)porphyrin compounds (down to the nanoscale) is a crucial step for a reliable implementation in devices [10]. When performed at the nanoscale level, for example via spectroscopic

Transport characteristics of a silicene nanoribbon on Ag(110)

• Ryoichi Hiraoka,
• Chun-Liang Lin,
• Kotaro Nakamura,
• Ryo Nagao,
• Maki Kawai,
• Ryuichi Arafune and
• Noriaki Takagi

Beilstein J. Nanotechnol. 2017, 8, 1699–1704, doi:10.3762/bjnano.8.170

• . The histogram indicates how long the nanojunction can be fabricated. The nanojunctions are usually broken at small values of Zgap_max and SiNRs can rarely be lifted up to 1.0 nm. It is of interest to compare the properties of SiNRs with graphene nanoribbons (GNRs). The transport properties of armchair

• measurements. In the DFT calculation of Ding and Wang [33], pentagonal rings appear inside the honeycomb ribbon and the peak structure may reflect the pentagonal structure. However, further investigations are required to conclude the atomic structure and transport properties of SiNRs. Conclusion We

Group-13 and group-15 doping of germanane

• Nicholas D. Cultrara,
• Maxx Q. Arguilla,
• Shishi Jiang,
• Chuanchuan Sun,
• Michael R. Scudder,
• R. Dominic Ross and
• Joshua E. Goldberger

Beilstein J. Nanotechnol. 2017, 8, 1642–1648, doi:10.3762/bjnano.8.164

• group-15 element As, can be successfully doped into a precursor CaGe2 phase, and remain intact in the lattice after the topotactic deintercalation, using HCl, to form GeH. After deintercalation, a maximum of 1.1% As and 2.3% Ga can be substituted into the germanium lattice. Electronic transport

• properties of single flakes show that incorporation of dopants leads to a reduction of resistance of more than three orders of magnitude in H2O-containing atmosphere after As doping. After doping with Ga, the reduction is more than six orders of magnitude, but with significant hysteretic behavior, indicative

Charge transport in organic nanocrystal diodes based on rolled-up robust nanomembrane contacts

• Vineeth Kumar Bandari,
• Lakshmi Varadharajan,
• Longqian Xu,
• Abdur Rehman Jalil,
• Mirunalini Devarajulu,
• Pablo F. Siles,
• Feng Zhu and
• Oliver G. Schmidt

Beilstein J. Nanotechnol. 2017, 8, 1277–1282, doi:10.3762/bjnano.8.129

• diodes contacted by rolled-up robust nanomembranes. The organic nanocrystals consist of vanadyl phthalocyanine and copper hexadecafluorophthalocyanine heterojunctions. The temperature dependent charge transport through organic nanocrystals was investigated to reveal the transport properties of ohmic and

• contacts. The nanocrystals consist of vanadyl phthalocyanine (VOPc) and copper hexadecafluorophthalocyanine (F16CuPc) heterojunctions. The temperature dependent current–voltage behaviors were investigated to unveil the charge transport properties of the nanocrystals. As most of the well-studied charge

• our previous reports [19]. The fabrication yield of the devices contacted by rolled-up electrodes on the single chip can achieve more than 95% owing to the reliable parallel nanofabrication when the whole process is carefully performed. To study the charge transport properties of the crystalline

Synthesis, spectroscopic characterization and thermogravimetric analysis of two series of substituted (metallo)tetraphenylporphyrins

• Rasha K. Al-Shewiki,
• Carola Mende,
• Roy Buschbeck,
• Pablo F. Siles,
• Oliver G. Schmidt,
• Tobias Rüffer and
• Heinrich Lang

Beilstein J. Nanotechnol. 2017, 8, 1191–1204, doi:10.3762/bjnano.8.121

• ) were investigated by current-sensing atomic force microscopy [8]. It was concluded that for the investigation of films with different morphologies and transport properties further (metallo)porphyrins should be studied, as outlined in the Introduction section [6][7][8][9]. However, we were not able to

Growth, structure and stability of sputter-deposited MoS₂ thin films

• Reinhard Kaindl,
• Bernhard C. Bayer,
• Roland Resel,
• Thomas Müller,
• Viera Skakalova,
• Gerlinde Habler,
• Rainer Abart,
• Alexey S. Cherevan,
• Dominik Eder,
• Maxime Blatter,
• Fabian Fischer,
• Jannik C. Meyer,
• Dmitry K. Polyushkin and
• Wolfgang Waldhauser

Beilstein J. Nanotechnol. 2017, 8, 1115–1126, doi:10.3762/bjnano.8.113

• variations in doping were described to be defect chemistry related and independent of contact metal. Combined this shows that variations in Mo/S stoichiometry can have severe effects on electrical transport properties of MoS2 films. As described above, our PVD MoS2 films here are generally enriched in S

• ], substitution [49][50] or adsorption [51] of add-atoms in/on MoS2 are known to affect the electrical transport properties of MoS2 in a variety of ways, including change from n-type to p-type behaviour, changes in carrier numbers or changes in local structure from 2H (semiconducting) to 1T (metallic). Previous

• measurements on our films to confirm trace contaminations, the increased interlayer distance in our 400 °C films observed in XRD could suggest that additional add-elements may (partly) be intercalated between individual MoS2 layers and thus alter electronic transport properties of the PVD films. Third, and

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

• atoms and molecules can be manipulated. In parallel, the use of atomistic simulations, mainly based on density functional theory (DFT), has allowed for a detailed understanding of the basic mechanisms that determine the electronic and nanoscale transport properties [1]. For spintronics, small organic

First examples of organosilica-based ionogels: synthesis and electrochemical behavior

• Andreas Taubert,
• Ruben Löbbicke,
• Barbara Kirchner and
• Fabrice Leroux

Beilstein J. Nanotechnol. 2017, 8, 736–751, doi:10.3762/bjnano.8.77

• the zwitterionic nature of the [BmimSO3H][PTS] IL will lead to very strong interactions within the IL rather than between the IL and the silica pore wall. The main advantage of this behavior is that the IL is “self-sufficient” as far as the ionic transport is concerned and transport properties will

Synthesis of graphene–transition metal oxide hybrid nanoparticles and their application in various fields

• Arpita Jana,
• Elke Scheer and
• Sebastian Polarz

Beilstein J. Nanotechnol. 2017, 8, 688–714, doi:10.3762/bjnano.8.74

• ), sensors, photocatalysts, removal of organic pollutants, etc. Recent studies have shown that a single graphene sheet (GS) has extraordinary electronic transport properties. One possible route to connecting those properties for application in electronics would be to prepare graphene-wrapped TMO NPs. In this

Anodization-based process for the fabrication of all niobium nitride Josephson junction structures

• Massimiliano Lucci,
• Ivano Ottaviani,
• Matteo Cirillo,
• Fabio De Matteis,
• Roberto Francini,
• Vittorio Merlo and
• Ivan Davoli

Beilstein J. Nanotechnol. 2017, 8, 539–546, doi:10.3762/bjnano.8.58

• investigate its mechanical and adhesion properties. The transport properties of NbN/AlN/NbN Josephson junctions obtained as a result of the above described fabrication process were measured in liquid helium at 4.2 K. Keywords: Josephson effect; superconductors; thin films; tunneling; Introduction Niobium

Copper atomic-scale transistors

• Fangqing Xie,
• Maryna N. Kavalenka,
• Moritz Röger,
• Daniel Albrecht,
• Hendrik Hölscher,
• Jürgen Leuthold and
• Thomas Schimmel

Beilstein J. Nanotechnol. 2017, 8, 530–538, doi:10.3762/bjnano.8.57

• atomic-scale transistor with a copper quantum point contact as switching block. The fabrication and electron-transport properties of metallic point contacts have been investigated both experimentally and theoretically [23][24][25][26][27][28][29][30][31][32][33][34][35][36][37][38][39][40][41]. The

Nitrogen-doped twisted graphene grown on copper by atmospheric pressure CVD from a decane precursor

• Ivan V. Komissarov,
• Nikolai G. Kovalchuk,
• Vladimir A. Labunov,
• Ksenia V. Girel,
• Olga V. Korolik,
• Mikhail S. Tivanov,
• Algirdas Lazauskas,
• Mindaugas Andrulevičius,
• Tomas Tamulevičius,
• Viktoras Grigaliūnas,
• Šarunas Meškinis,
• Sigitas Tamulevičius and
• Serghej L. Prischepa

Beilstein J. Nanotechnol. 2017, 8, 145–158, doi:10.3762/bjnano.8.15

• of a •CxHy + N2 reaction has been proposed. Further work related to the mechanisms of the nitrogen doping and relation between transport properties of graphene and its microstructure is in progress now. Optical images for (a) sample A, (b) sample B as deposited on copper foil. Raman spectrum for (a

Zigzag phosphorene nanoribbons: one-dimensional resonant channels in two-dimensional atomic crystals

• Carlos. J. Páez,
• Dario. A. Bahamon,
• Ana L. C. Pereira and
• Peter. A. Schulz

Beilstein J. Nanotechnol. 2016, 7, 1983–1990, doi:10.3762/bjnano.7.189

• to the Fermi energy, hinders a wider use of single-orbital tight-binding models in chasing the alluded electronic and transport properties of systems based on this new material. Nevertheless, the use of such model is well validated, by means of comparisons with first-principle electronic structure

• contact ΣL(R) are calculated recursively for the semi-infinite zigzag phosphorene nanoribbons [23]. Other electronic properties such as the local density of states (LDOS) are also calculated. The electronic and transport properties of a host zizgzag nanoribbon, in which a finite segment will be latter

• transmission probability as a function of the energy as well as the LDOS associated to selected resonances in the presence of vacancies. Defects are normally seen as mechanisms that hinder the observation of transport properties associated to shape modulation of nanoscopic low-dimensional systems. Indeed, the

Properties of Ni and Ni–Fe nanowires electrochemically deposited into a porous alumina template

• Alla I. Vorobjova,
• Dmitry L. Shimanovich,
• Kazimir I. Yanushkevich,
• Sergej L. Prischepa and
• Elena A. Outkina

Beilstein J. Nanotechnol. 2016, 7, 1709–1717, doi:10.3762/bjnano.7.163

• ; Introduction Arrays of vertically arranged metallic NWs have attracted a lot of attention due to their shape anisotropy and extremely large surface area. The combination of this unique structure with uncommon magnetic, optical and transport properties can be used to develop novel functional nanomaterials for

• magnetic, electronic, biomedical and optical nano-scale devices [1][2][3][4][5]. Additionally, the magnetic composite nanostructures are interesting as materials for basic research of magnetic and transport properties in magnetic nanosystems as they possess unique physicochemical properties compared with

Fingerprints of a size-dependent crossover in the dimensionality of electronic conduction in Au-seeded Ge nanowires

• Maria Koleśnik-Gray,
• Gillian Collins,
• Justin D. Holmes and
• Vojislav Krstić

Beilstein J. Nanotechnol. 2016, 7, 1574–1578, doi:10.3762/bjnano.7.151

• Ireland 10.3762/bjnano.7.151 Abstract We studied the electrical transport properties of Au-seeded germanium nanowires with radii ranging from 11 to 80 nm at ambient conditions. We found a non-trivial dependence of the electrical conductivity, mobility and carrier density on the radius size. In particular

• -type charge transport. Inset: four-point current–voltage characteristic of the same NW. Radius-dependent charge transport properties in Ge NWs. (a) Electrical conductivity, (b) mobility and (c) charge carrier density as function of the NW radius R. Dotted lines in (a) and (b) are a guide to the eye

• . Grey dashed line in (c) corresponds to the numerical fitting of Nd(R) with a power function. Carrier-density dependent transport properties in Ge NWs. (a) Electrical conductivity and (b) mobility as function of carrier density Nd. Dashed lines are a guide to the eye. Characteristic length scales in Ge

Filled and empty states of Zn-TPP films deposited on Fe(001)-p(1×1)O

• Gianlorenzo Bussetti,
• Alberto Calloni,
• Rossella Yivlialin,
• Andrea Picone,
• Federico Bottegoni and
• Marco Finazzi

Beilstein J. Nanotechnol. 2016, 7, 1527–1531, doi:10.3762/bjnano.7.146

• alignment between molecular levels and substrate bands plays a key role in the transport properties. Results and Discussion From a technological point of view, the 1 monolayer (ML) thick sample is the most interesting and appealing, due to its ordered (5 × 5) reconstruction [10] that can be exploited (i) as

• ]. The changes of the interface dipole, as a function of the film thickness, can thus give a first characterization to evaluate possible barriers that affect the transport properties of the junction. Finally, we summarize in the Table 1 the main energy positions of the R/Ph-HOMO and R/Ph-LUMO molecular

Reasons and remedies for the agglomeration of multilayered graphene and carbon nanotubes in polymers

• Rasheed Atif and
• Fawad Inam

Beilstein J. Nanotechnol. 2016, 7, 1174–1196, doi:10.3762/bjnano.7.109

• in the hexagonal lattice along the vectors a1 and a2, respectively [40]. If n = m, the nanotube is called “armchair”. If m = 0, it is called “zigzag”, and in all other cases it is chiral. The chirality affects the transport properties, especially electronic properties. If (2n + m) is a multiple of 3

• , the nanotube exhibits electron transport properties of a metal, while it behaves as a semiconductor if above condition is not satisfied. The semiconducting CNTs have varying bandgaps [36]. The bandgap for semi-conducting CNT is inversely proportional to the diameter of nanotube. The values of about

Role of solvents in the electronic transport properties of single-molecule junctions

• Katharina Luka-Guth,
• Sebastian Hambsch,
• Andreas Bloch,
• Philipp Ehrenreich,
• Bernd Michael Briechle,
• Filip Kilibarda,
• Torsten Sendler,
• Dmytro Sysoiev,
• Thomas Huhn,
• Artur Erbe and
• Elke Scheer

Beilstein J. Nanotechnol. 2016, 7, 1055–1067, doi:10.3762/bjnano.7.99

• controllable break junction; molecular electronics; polar solvent; single-molecule junctions; Introduction The electronic transport properties of single-molecule junctions are actively investigated with the aim to utilize such junctions as functional building blocks in electronic devices [1][2][3][4][5][6][7

• to the metal/molecule/metal junction alone, neglecting the contributions Gs of the solvents. This assumption is justified if GJ is much larger than Gs. Except for the seminal studies by Grüter et al. [9][10] the role of the solvent for the transport properties of single-molecule contacts has been

• these parameters are determined by microscopic properties of the junctions, i.e., by the atomic configurations. Discussion As mentioned above, we consider a solvent as “suitable”, if its transport properties in MCBJ geometry cannot be mistaken for a single-molecule junction formed by a “functional

Thermo-voltage measurements of atomic contacts at low temperature

• Ayelet Ofarim,
• Bastian Kopp,
• Thomas Möller,
• León Martin,
• Johannes Boneberg,
• Paul Leiderer and
• Elke Scheer

Beilstein J. Nanotechnol. 2016, 7, 767–775, doi:10.3762/bjnano.7.68

• ]. Experimental techniques such as scanning tunneling microscopy (STM) and the mechanically controlled break-junction (MCBJ) technique allow investigation of transport properties of atomic-scale devices [18]. Therefore, most approaches for measurements of thermo-voltage, or simultaneous measurements of

• -electric transport properties of BDT single-molecule junctions are extremely sensitive to the configuration between the two metal leads. The temperature difference across the junction was not measured but calculated using a simulated temperature profile. We have shown recently [19] that a thermo-voltage of

First-principles study of the structure of water layers on flat and stepped Pb electrodes

• Xiaohang Lin,
• Ferdinand Evers and
• Axel Groß

Beilstein J. Nanotechnol. 2016, 7, 533–543, doi:10.3762/bjnano.7.47

• temperatures were addressed using ab initio molecular dynamics (AIMD) simulations [16] yielding good agreement with the experiment [17], and the influence of the presence of ions in aqueous electrolytes on the transport properties of atomic junctions was assessed [18] taking into account an appropriate

• transport properties of the switch are concerned. Acknowledgements Financial support by the Baden-Württemberg Foundation through the project C3 within the network “Functional Nanostructures” is gratefully acknowledged. Computational resources have been provided by the bwHPC5 project of the Federal State of

Charge and heat transport in soft nanosystems in the presence of time-dependent perturbations

• Alberto Nocera,
• Carmine Antonio Perroni,
• Vincenzo Marigliano Ramaglia and
• Vittorio Cataudella

Beilstein J. Nanotechnol. 2016, 7, 439–464, doi:10.3762/bjnano.7.39

• Sant’Angelo, Via Cintia, I-80126 Napoli, Italy 10.3762/bjnano.7.39 Abstract Background: Soft nanosystems are electronic nanodevices, such as suspended carbon nanotubes or molecular junctions, whose transport properties are modulated by soft internal degrees of freedom, for example slow vibrational modes

• -dependent perturbations; Introduction In some nanoelectronic devices, internal soft degrees of freedom, such as slow vibrational modes, cannot be neglected since they actively modulate the transport properties. Indeed, the electron–vibration coupling significantly affects the charge and heat transport of

• displacement and acquire an explicit periodic dependence on time. We have treated distinct systems in our unified approach. In particular we have studied the electronic transport properties at finite bias of a NEMS device consisting of a vibrating suspended CNT actuated by an external antenna. In this setup

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

• is whether the transport properties are independent of how this partitioning is made as shown in Figure 1. We are not aware of previous attempts in the literature to demonstrate or even check this invariance. Addressing this issue is one of the main aims of the present work. Results and Discussion

• . Approximations of wide- and flat-electrode bands and related issues At first sight, the concept of the invariance of the transport properties upon the choice of the extended molecule size may seem of merely academic interest (possibly a part of a Ph.D. tutorial) or useful for checking the correctness of

• numerical code to compute transport properties (which should not change whatever the size of the central region chosen). To see that the results presented above are also relevant for more pragmatic purposes, the effect of negative differential resistance (NDR) is discussed next in conjunction with common

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

• significantly affect the charge transport properties of the molecular junctions [55]. Nevertheless, these anchoring groups have been explored most frequently when attached to core structures that are not highly conjugated and exhibit poor conductivity (e.g., saturated alkanes) [26][30][56]. In contrast, highly