Electronic structure, transport, and collective effects in molecular layered systems

• Torsten Hahn,
• Tim Ludwig,
• Carsten Timm and
• Jens Kortus

Beilstein J. Nanotechnol. 2017, 8, 2094–2105, doi:10.3762/bjnano.8.209

• heterostructures for organic device applications is exemplified by the targeted engineering of the electronic properties of phthalocyanine-based systems. The transport properties of two different phthalocyanine systems, a pure copper phthalocyanine (CoPc) and a flourinated copper phthalocyanine–manganese

• the two organic systems between Au(111) surfaces. The electronic properties of both systems are altered due to the interaction with the gold surface. While in the contact-free CoPc/CoPc stack, the cobalt atoms couple antiferromagnetically, yielding an S = 0 system, the interaction with the gold

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

• 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

A systematic study of the controlled generation of crystalline iron oxide nanoparticles on graphene using a chemical etching process

• Peter Krauß,
• Jörg Engstler and
• Jörg J. Schneider

Beilstein J. Nanotechnol. 2017, 8, 2017–2025, doi:10.3762/bjnano.8.202

• ][34]. As graphene is close to or even atomically thin, even very minor amounts of contamination can affect its electronic properties [22][33][34]. Additional processing such as thermal annealing in vacuum or hydrogen atmosphere is required to completely remove the protective layer, making polymer

Intercalation of Si between MoS₂ layers

• Rik van Bremen,
• Qirong Yao,
• Soumya Banerjee,
• Deniz Cakir,
• Nuri Oncel and
• Harold J. W. Zandvliet

Beilstein J. Nanotechnol. 2017, 8, 1952–1960, doi:10.3762/bjnano.8.196

• calculations regarding the intercalated Si. To be consistent with experimental results we have fixed the lattice constant of MoS2 to 3.16 Å. We first calculated the structural and electronic properties of hetero-trilayers composed of a silicene layer intercalated between two MoS2 monolayers (MoS2–silicene–MoS2

Coexistence of strongly buckled germanene phases on Al(111)

• Weimin Wang and
• Roger I. G. Uhrberg

Beilstein J. Nanotechnol. 2017, 8, 1946–1951, doi:10.3762/bjnano.8.195

• Weimin Wang Roger I. G. Uhrberg Department of Physics, Chemistry, and Biology, Linköping University, S-581 83 Linköping, Sweden 10.3762/bjnano.8.195 Abstract We report a study of structural and electronic properties of a germanium layer on Al(111) using scanning tunneling microscopy (STM), low

Structural model of silicene-like nanoribbons on a Pb-reconstructed Si(111) surface

• Agnieszka Stępniak-Dybala and
• Mariusz Krawiec

Beilstein J. Nanotechnol. 2017, 8, 1836–1843, doi:10.3762/bjnano.8.185

• ), support the scenario of silicene formation, mainly due to a problem with electronic properties. Therefore there is still a significant amount of skepticism about this issue. In many cases density functional theory (DFT) calculations were required to get more detailed information on what structures have

• the rows. Thus, in most cases the structure of the deposited silicon is governed by the underlying substrate. Alternative substrates that could host silicene without destroying its remarkable electronic properties are still highly required. Recently, we have made attempts to grow silicene on a Pb

• values of Φ then Pb areas, in full agreement with the experimental results. To shed light on electronic properties, we provide a comparison of the measured dI/dV characteristics and calculated density of states (DOS) in Figure 5. Again, the theoretical results reproduce well the experimental data. The

(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

• samples MCD spectroscopy is often carried out in combination with UV–vis spectroscopy to characterize the electronic properties of molecules, including porphyrinoids. For a better comparison with the existing literature about the magneto-optical response of porphyrinoids we calculated from the Voigt

• addition to what is easily readable in the UV–vis spectra [14]. The reason for the fine structure of the MCD spectra and hence for the higher sensitivity to the electronic properties lies in the Zeeman splitting of degenerate electronic levels induced by an external magnetic field. In addition to the

• allow for the engineering of manifold extended 2D materials with novel transport properties. One major approach for surface-confined polymerization is the halogen-based Ullmann coupling reaction [42]. Thereby, the topography and also electronic properties of the covalent organic framework are determined

Adsorption and diffusion characteristics of lithium on hydrogenated α- and β-silicene

• Fadil Iyikanat,
• Ali Kandemir,
• Cihan Bacaksiz and
• Hasan Sahin

Beilstein J. Nanotechnol. 2017, 8, 1742–1748, doi:10.3762/bjnano.8.175

• . predicted that the electronic properties of silicene highly depend on the substrate [23]. Johnson et al. showed that the Ag(111) surface leads to metalization of a few distinct forms of silicene [24]. Among the variety of substrates, Ag(111) surface comes to prominence for epitaxial growth of single-layer

• ]. Therefore, the structures of H-α-Si and H-β-Si do not exhibit significant differences to their pristine counterparts. To determine how many layers of Ag (111) correctly simulate the supported α- and β-surfaces we examined the structural and electronic properties of these two phases on both two-layer and

Fluorination of vertically aligned carbon nanotubes: from CF₄ plasma chemistry to surface functionalization

• Claudia Struzzi,
• Mattia Scardamaglia,
• Jean-François Colomer,
• Alberto Verdini,
• Luca Floreano,
• Rony Snyders and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2017, 8, 1723–1733, doi:10.3762/bjnano.8.173

• investigate the evolution of the electronic properties as a function of the fluorine content at the vCNT surface. The samples suffer a limited ageing effect, with a small loss of fluorine functionalities after two weeks in ambient conditions. Keywords: carbon nanotubes; CF4 plasma; fluorination; plasma

• ][24]. In single- and multiwalled nanotubes the tuning of surface properties via fluorine-based plasma has been investigated highlighting the modification of morphology, chemical composition and electronic properties, as well as focusing on the field emission performances and the thermal stability [25

• electronic properties of fluorinated vCNT is discussed as a function of the fluorine content and ageing effects are verified after storing the samples for two weeks under ambient conditions. Results and Discussion In the present work, we combine the study of the CF4 plasma chemistry with the analysis of the

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

• interfacial coupling between the SiNR and the substrate might modify the intrinsic electronic properties of SiNR as described above for the (4×4) silicene on Ag(111). Thus, it is required to decouple SiNR from the substrate and evaluate the intrinsic properties. Here we report the transport characteristics of

Effect of the fluorination technique on the surface-fluorination patterning of double-walled carbon nanotubes

• Lyubov G. Bulusheva,
• Yuliya V. Fedoseeva,
• Emmanuel Flahaut,
• Jérémy Rio,
• Christopher P. Ewels,
• Victor O. Koroteev,
• Gregory Van Lier,
• Denis V. Vyalikh and
• Alexander V. Okotrub

Beilstein J. Nanotechnol. 2017, 8, 1688–1698, doi:10.3762/bjnano.8.169

• DWCNTs with different fluorination patterns, which should in turn be distinct in electronic properties and reactivity. Similar results are expected for other closed-shell carbon structures such as single- and multi-walled CNTs, nanohorns and onion-like carbon. Experimental Materials DWCNTs were produced

Near-infrared-responsive, superparamagnetic Au@Co nanochains

• Varadee Vittur,
• Arati G. Kolhatkar,
• Shreya Shah,
• Irene Rusakova,
• Dmitri Litvinov and
• T. Randall Lee

Beilstein J. Nanotechnol. 2017, 8, 1680–1687, doi:10.3762/bjnano.8.168

• . In addition to these studies on gold-coated cobalt nanoparticles, there are, to our knowledge, only three reports of gold-coated cobalt (Au@Co) nanochains. Huang and co-workers synthesized bimetallic PtCo and AuCo magnetic nanochains, and showed how the magnetic and electronic properties could be

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

• -terminated graphane analogue of germanium has generated interest as a potential 2D electronic material. However, the incorporation and retention of extrinsic dopant atoms in the lattice, to tune the electronic properties, remains a significant challenge. Here, we show that the group-13 element Ga and the

• method, here, we explored whether other group-13 and group-15 elements (Al, Ga, As and Sb) can be included as dopants onto the germanane framework, and how these dopants affect the stability and electronic properties of GeH. Herein, we show that Ga and As can be doped into the CaGe2 precursor phase and

• Ga:GeH is stable under vacuum, enabling robust electronic properties through encapsulation. Overall, this work provides a pathway to dope germanane and enable future explorations of electronic devices. Experimental Single crystalline platelets of doped and undoped GeH were synthesized using methods

Charge transfer from and to manganese phthalocyanine: bulk materials and interfaces

• Florian Rückerl,
• Daniel Waas,
• Bernd Büchner,
• Martin Knupfer,
• Dietrich R. T. Zahn,
• Francisc Haidu,
• Torsten Hahn and
• Jens Kortus

Beilstein J. Nanotechnol. 2017, 8, 1601–1615, doi:10.3762/bjnano.8.160

• transfer; electronic properties; manganese phthalocyanine; Review Introduction The family of metal-centered phthalocyanines has been considered for future technological applications because of their favorable electronic and optical properties and their advantageous chemical stability [1][2][3][4][5][6][7

• . The spin of MnPc is a consequence of three unpaired 3d electrons in the Mn 3d levels, which also lie close to the chemical potential. In essence, the electronic properties (partly) reflect the behavior of these 3d electrons, and MnPc plays a special role in the group of the transition-metal

• present information on the electronic properties of a purely organic salt in which MnPc is oxidized. In order to obtain such a compound we have prepared mixed films consisting of MnPc and the particularly strong electron acceptor F4TCNQ. It is well known that high-quality organic charge transfer crystals

Two-dimensional carbon-based nanocomposites for photocatalytic energy generation and environmental remediation applications

• Suneel Kumar,
• Ashish Kumar,
• Ashish Bahuguna,
• Vipul Sharma and
• Venkata Krishnan

Beilstein J. Nanotechnol. 2017, 8, 1571–1600, doi:10.3762/bjnano.8.159

• the same time, for GO having 25% coverage of oxygen atoms, the energy level of the CB is high enough for O2 evolution from water [109][110]. Hence, by tuning the electronic properties of GO, it can act as a promising material for H2 generation from water without any cocatalyst. The possible mechanism

Adsorption and electronic properties of pentacene on thin dielectric decoupling layers

• Sebastian Koslowski,
• Daniel Rosenblatt,
• Alexander Kabakchiev,
• Klaus Kuhnke,
• Klaus Kern and
• Uta Schlickum

Beilstein J. Nanotechnol. 2017, 8, 1388–1395, doi:10.3762/bjnano.8.140

• 10.3762/bjnano.8.140 Abstract With the increasing use of thin dielectric decoupling layers to study the electronic properties of organic molecules on metal surfaces, comparative studies are needed in order to generalize findings and formulate practical rules. In this paper we study the adsorption and

• electronic properties of pentacene deposited onto h-BN/Rh(111) and compare them with those of pentacene deposited onto KCl on various metal surfaces. When deposited onto KCl, the HOMO and LUMO energies of the pentacene molecules scale with the work functions of the combined KCl/metal surface. The magnitude

• [1][2] but furthermore to probe its electronic properties [3]. Aromatic molecules deposited onto a metal surface are known to interact through their π-orbitals via van der Waals interactions with the free electron gas at the metal surface [4]. This can lead to a charge-transfer process with or

Two-dimensional silicon and carbon monochalcogenides with the structure of phosphorene

• Dario Rocca,
• Ali Abboud,
• Ganapathy Vaitheeswaran and
• Sébastien Lebègue

Beilstein J. Nanotechnol. 2017, 8, 1338–1344, doi:10.3762/bjnano.8.135

• structure analogous to phosphorene. Specifically, carbon and silicon monochalcogenides have been considered. After structural optimization, a series of binary compounds were found to be dynamically stable in a phosphorene-like geometry: CS, CSe, CTe, SiO, SiS, SiSe, and SiTe. The electronic properties of

• carrier mobilities. The variety of electronic properties carried by these compounds have the potential to broaden the technological applicability of two-dimensional materials. Keywords: electronic structure; phosphorene; two-dimensional materials; Introduction Over the last ten years, the interest in

• of CS [36]. The case of SiO should be considered separately: As shown in Figure 1c, in this case the distortion is particularly accentuated with respect to the initial geometry. As discussed below, this structure leads to electronic properties rather different from that of phosphorene, in particular

Nano-engineered skin mesenchymal stem cells: potential vehicles for tumour-targeted quantum-dot delivery

• Liga Saulite,
• Dominyka Dapkute,
• Karlis Pleiko,
• Ineta Popena,
• Simona Steponkiene,
• Ricardas Rotomskis and
• Una Riekstina

Beilstein J. Nanotechnol. 2017, 8, 1218–1230, doi:10.3762/bjnano.8.123

• , quantum dots (QDs) have demonstrated extensive application capabilities. High photostability and brightness, broad excitation and narrow fluorescence-emission spectra are some of the main properties required for the generation of new fluorescent nano-agents. The unique optical and electronic properties of

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

• work for instance reported significant oxygen and carbon incorporation during typical PVD conditions, where substitutional doping of MoS2 with oxygen recently was shown to drastically alter its electronic structure [37][38][50]. Also key effects of, e.g., Nb or Na contamination on electronic properties

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

• the electronic properties of the adsorbed fullerenes with vacancy defect, and compare them to those of the C60/Au(111) system. Figure 5 shows the calculated density of states (DOS) of the isolated molecule (dashed lines) and junction (solid lines) projected onto the molecular atoms. Upon adsorption

• electronic properties. We used single-zeta polarized orbitals for gold and a double-zeta polarized basis for carbon atoms. Exchange–correlation was described with the Perdew–Burke–Ernzerhof implementation of the Generalized Gradient Approximation (GGA) [48]. Each Au layer consisted of 16 atoms and five

The integration of graphene into microelectronic devices

• Guenther Ruhl,
• Sebastian Wittmann,
• Matthias Koenig and
• Daniel Neumaier

Beilstein J. Nanotechnol. 2017, 8, 1056–1064, doi:10.3762/bjnano.8.107

• devices. Generally speaking the crucial issues for graphene integration are identified today and the corresponding research tasks can be clearly defined. Keywords: contacts; deposition; encapsulation; graphene; process integration; Introduction Since the discovery of the electronic properties of

CVD transfer-free graphene for sensing applications

• Chiara Schiattarella,
• Sten Vollebregt,
• Tiziana Polichetti,
• Brigida Alfano,
• Ettore Massera,
• Maria Lucia Miglietta,
• Girolamo Di Francia and
• Pasqualina Maria Sarro

Beilstein J. Nanotechnol. 2017, 8, 1015–1022, doi:10.3762/bjnano.8.102

• of the electronic properties of the material due to the analyte adsorption. Similarly to Arrhenius' concept of activation energy, this approach still includes the fundamental assumption of the validity of Maxwell–Boltzmann statistics. The absolute number of analyte molecules approaching the devices

• insensitive to CO. The similarity in the behaviour towards NO2 and NH3 has been studied in depth by evaluating the characteristic energies associated to the different analytes by following an unconventional approach, focusing on the modification of the electronic properties of the sensing material due to the

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

Optimizing qPlus sensor assemblies for simultaneous scanning tunneling and noncontact atomic force microscopy operation based on finite element method analysis

• Omur E. Dagdeviren and
• Udo D. Schwarz

Beilstein J. Nanotechnol. 2017, 8, 657–666, doi:10.3762/bjnano.8.70

• , with STM probing the electronic properties of the sample and NC-AFM its chemical nature with picoampere, piconewton, and picometer resolution [4][5][6][7][8][9][10][11]. Thereby, STM relies on measuring a tunneling current collected by a conducting tip located in close proximity of the probed surface

Graphene functionalised by laser-ablated V₂O₅ for a highly sensitive NH₃ sensor

• Margus Kodu,
• Artjom Berholts,
• Tauno Kahro,
• Mati Kook,
• Peeter Ritslaid,
• Helina Seemen,
• Tea Avarmaa,
• Harry Alles and
• Raivo Jaaniso

Beilstein J. Nanotechnol. 2017, 8, 571–578, doi:10.3762/bjnano.8.61

• drastically increase both the adsorption of pollutant molecules and the influence of gas adsorption on the electronic properties of graphene [6][30]. For instance, adsorption energy (Ea) of an NH3 molecule on regular graphene is relatively small (Ea ≤ 0.11 eV [6][30]), but it is much higher for defect (up to