Monolayers of MoS₂ on Ag(111) as decoupling layers for organic molecules: resolution of electronic and vibronic states of TCNQ

• Asieh Yousofnejad,
• Gaël Reecht,
• Nils Krane,
• Christian Lotze and
• Katharina J. Franke

Beilstein J. Nanotechnol. 2020, 11, 1062–1071, doi:10.3762/bjnano.11.91

• vibronic states of the gas-phase molecule. Results and Discussion We have grown monolayer islands of MoS2 on an atomically clean Ag(111) surface, which had been exposed to sputtering–annealing cycles under ultrahigh vacuum before. The growth procedure was adapted from that of MoS2 on Au(111) [34][35], with

• compared to the elliptical shape in Figure 5c. For the identification of molecular orbitals, it is often sufficient to compare the dI/dV maps with the shape of the gas-phase molecular orbitals. Using this method, the U-shaped features have previously been associated to the LUMO of TCNQ [5][23][49]. Here

• , we corroborate this assignment by simulating constant-height dI/dV maps of a free, flat-lying molecule. We first calculated the gas-phase electronic structure using density functional theory (DFT) calculations with the B3PW91 functional and the 6-31g(d,p) basis set as implemented in the Gaussian 09

Gas-sensing features of nanostructured tellurium thin films

• Dumitru Tsiulyanu

Beilstein J. Nanotechnol. 2020, 11, 1010–1018, doi:10.3762/bjnano.11.85

• , nanotubes or nanowires from the gas phase under vacuum or argon atmosphere. On the other hand, nanostructuring can be performed mechanically as indicated by the possibility of growth of nanocrystalline gas sensors via rf sputtering (13.6 MHz) of Te in an ultra-high-purity argon atmosphere [24]. The main

Transition from freestanding SnO₂ nanowires to laterally aligned nanowires with a simulation-based experimental design

• Jasmin-Clara Bürger,
• Sebastian Gutsch and
• Margit Zacharias

Beilstein J. Nanotechnol. 2020, 11, 843–853, doi:10.3762/bjnano.11.69

• sites are changed. Furthermore, it should be considered that the gaseous Sn atoms might already partially react with oxygen in the gas phase and that parts of the graphite, which are not used in the reaction with the SnO2 powder, might react with a fraction of the gaseous oxygen. An effect of these

Adsorption behavior of tin phthalocyanine onto the (110) face of rutile TiO₂

• Lukasz Bodek,
• Mads Engelund,
• Aleksandra Cebrat and
• Bartosz Such

Beilstein J. Nanotechnol. 2020, 11, 821–828, doi:10.3762/bjnano.11.67

• presented in Figure 3d. An analogous combination of LT-STM image, DFT-simulated image and optimized geometry for a Sn-up molecule is presented in Figure 3e–g. A DFT-simulated image of a Sn-up molecule in the gas-phase geometry corresponds well to the experimental results. The bright protrusion centered

• strongly deformed on the surface. In contrast, simulated images of gas-phase SnPc in the Sn-down position do not recreate the experimental results (marked by the blue square in Figure S3, Supporting Information File 1). Especially, the pyrrole-like subunits appear much brighter than observed in the

• nonplanar Pc molecule. As a result, the abovementioned relaxation of a Sn-down Pc molecule leads to an increase in the dipole moment from −0.6 D for gas-phase SnPc to −1.13 D for relaxed SnPc. This effect is mainly due to a change of the position of positively charged H atoms at the periphery of the

Adsorptive removal of bulky dye molecules from water with mesoporous polyaniline-derived carbon

• Hyung Jun An,
• Jong Min Park,
• Nazmul Abedin Khan and
• Sung Hwa Jhung

Beilstein J. Nanotechnol. 2020, 11, 597–605, doi:10.3762/bjnano.11.47

• -presence of activating agents such as KOH, H3PO4 or ZnCl2 [39]. Even though PANI-derived carbon (PDC) was used in gas-phase adsorption [40][41], it has been scarcely applied in liquid phase adsorption. Only recently we applied PDC for the possible purification of water contaminated with organics and fuel

Interfacial charge transfer processes in 2D and 3D semiconducting hybrid perovskites: azobenzene as photoswitchable ligand

• Nicole Fillafer,
• Tobias Seewald,
• Lukas Schmidt-Mende and
• Sebastian Polarz

Beilstein J. Nanotechnol. 2020, 11, 466–479, doi:10.3762/bjnano.11.38

• system of a semiconductor. Torres et al. reported calculations of a charge-transfer complex of para-methyl red/TiO2 in the gas phase where the isomerisation is fully quenched. The photoexcited state is oxidized immediately through a charge transfer from the azobenzene to TiO2 and no conformational change

DFT calculations of the structure and stability of copper clusters on MoS₂

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2020, 11, 391–406, doi:10.3762/bjnano.11.30

• ) adsorbed on MoS2. The energy of a single gas phase Cu atom (ECu_atom) is multiplied by n, the number of Cu atoms in adsorbed Cun. 2. Binding energy with reference to a free Cun cluster: where ECu_cluster is the energy of the most favourable Cun nanocluster structure in vacuum. For two atoms, this is a Cu2

• positive binding energy when calculated with Equation 2, indicating that they are unstable. However, this is most likely due to the most favourable gas phase three-atom cluster having a different structure from that taken upon adsorption on the MoS2 ML. When calculating the stability using adsorbed Cu3

Formation of metal/semiconductor Cu–Si composite nanostructures

• Natalya V. Yumozhapova,
• Andrey V. Nomoev,
• Vyacheslav V. Syzrantsev and
• Erzhena C. Khartaeva

Beilstein J. Nanotechnol. 2019, 10, 2497–2504, doi:10.3762/bjnano.10.240

• content of 50 atom %. Additionally, an estimation of the effective experimental cooling rate was made. Keywords: composite nanoparticle; gas-phase synthesis; molecular dynamics modelling; Introduction In recent years, due to the development of various methods of synthesis, it has become possible to

• they are immiscible in the bulk state. In addition to chemical techniques [9][10][11][12], physical methods such as gas-phase methods [5][6][15], laser ablation [7][8][16], and magnetron-sputter gas-phase condensation [17] have been developed. When these methods are combined with the possibility of

Microbubbles decorated with dendronized magnetic nanoparticles for biomedical imaging: effective stabilization via fluorous interactions

• Da Shi,
• Justine Wallyn,
• Dinh-Vu Nguyen,
• Francis Perton,
• Delphine Felder-Flesch,
• Sylvie Bégin-Colin,
• Mounir Maaloum and
• Marie Pierre Krafft

Beilstein J. Nanotechnol. 2019, 10, 2103–2115, doi:10.3762/bjnano.10.205

• before being flushed above the aqueous phase into the sealed glass vial during 3 min in order to saturate the gas phase with F-hexane. The resulting dispersions were treated using a VialMix shaker (Bristol-Myers Squibb, New York, NY) for 45 s under F-hexane-saturated N2 at room temperature. The resulting

Review of advanced sensor devices employing nanoarchitectonics concepts

• Katsuhiko Ariga,
• Tatsuyuki Makita,
• Masato Ito,
• Taizo Mori,
• Shun Watanabe and
• Jun Takeya

Beilstein J. Nanotechnol. 2019, 10, 2014–2030, doi:10.3762/bjnano.10.198

• . Sensors for chemical substances Mainly due to the high demand to solve environmental problems, vapor sensors and gas-phase chemical sensors have been actively researched. Tang and co-workers accomplished drastic improvement of sensitivity of H2S gas detection by mechanical deformation of ultrathin single

Long-term entrapment and temperature-controlled-release of SF₆ gas in metal–organic frameworks (MOFs)

• Hana Bunzen,
• Andreas Kalytta-Mewes,
• Leo van Wüllen and
• Dirk Volkmer

Beilstein J. Nanotechnol. 2019, 10, 1851–1859, doi:10.3762/bjnano.10.180

• ). To a solid sample (20 mg), 1 mL of concentrated sulfuric acid (95–98 wt %) was added and the gas phase was analyzed by the mass spectrometer. Powder XRD data were collected in the 5–50° 2θ range using a Seifert XRD 3003 TT powder diffractometer with a Meteor1D detector operating at room temperature

• (determined by TGA; see Figure S11 in Supporting Information File 1). Furthermore, we studied the possibility to release SF6 from the pores of MFU-4 by decomposing the framework. To do so, we treated a sample of the MOF loaded with SF6 with an acid, namely concentrated sulfuric acid, and analyzed the gas

• phase by mass spectrometry (Figure S12 in Supporting Information File 1). As expected, upon adding the acid to the reaction vessel, the framework decomposed and an immediate evolution of gas bubbles was observed. The SF6 release could be followed by mass spectrometry; however, a precise quantification

High-temperature resistive gas sensors based on ZnO/SiC nanocomposites

• Vadim B. Platonov,
• Marina N. Rumyantseva,
• Alexander S. Frolov,
• Alexey D. Yapryntsev and
• Alexander M. Gaskov

Beilstein J. Nanotechnol. 2019, 10, 1537–1547, doi:10.3762/bjnano.10.151

• sensor properties of the synthesized materials were investigated by in situ conductivity measurements. Figure 8 shows the change in the resistance of ZnO nanofibers and ZnO/SiC nanocomposites with a periodic change in the composition of the gas phase in the presence of NH3 (Figure 8a,b) and CO (Figure 8c

• semiconductor materials: where CO(gas), NH3(gas) are molecules of carbon monoxide and ammonia in the gas phase, is a particle of chemisorbed oxygen, e− is an electron released into the conduction band; CO2(gas), N2(gas), H2O(gas) are the molecules of the reaction products desorbed from the surface of the

• material to the gas phase. The data obtained allowed us to calculate the value of the sensor response as where Rair is the resistance of the material in background air, and Rgas is the resistance of the material in the presence of the target gas (СО or NH3). The temperature dependence of the sensor

Growth of lithium hydride thin films from solutions: Towards solution atomic layer deposition of lithiated films

• Ivan Kundrata,
• Karol Fröhlich,
• Lubomír Vančo,
• Matej Mičušík and
• Julien Bachmann

Beilstein J. Nanotechnol. 2019, 10, 1443–1451, doi:10.3762/bjnano.10.142

• filters for hazardous byproducts, since the liquid waste from the deposition process can be easily caught, neutralized, and the solvent can be recovered by distillation. sALD opens up the possibility to use n-butyllithium, which does not exist in the gas phase, as a precursor for lithiated films [13

• ]. Furthermore, such organolithium precursors in solution are inexpensive and easier to handle, more so than the required volatility of precursors for standard ALD would allow [7]. Because precursors that cannot be used in ALD are used in sALD, reactions that are impossible in the gas phase can be explored, even

Playing with covalent triazine framework tiles for improved CO₂ adsorption properties and catalytic performance

• Giulia Tuci,
• Andree Iemhoff,
• Housseinou Ba,
• Lapo Luconi,
• Andrea Rossin,
• Vasiliki Papaefthimiou,
• Regina Palkovits,
• Jens Artz,
• Cuong Pham-Huu and
• Giuliano Giambastiani

Beilstein J. Nanotechnol. 2019, 10, 1217–1227, doi:10.3762/bjnano.10.121

• stability) as metal-free catalysts in gas-phase processes. Our recent achievements in the use of highly porous and N-rich carbon nanomaterials as metal-free catalysts for the steam- and oxygen-free dehydrogenation catalysis (DDH) of ethylbenzene (EB) to styrene (ST) have shown unique outcomes in terms of

• -dicyanoimidazole (DCI) or its equimolar mixtures with the aforementioned dicyanoaryl units (see Scheme 1 below) [45]. The as-prepared samples have been investigated as CO2 storage materials as well as metal-free catalysts for the gas-phase DDH of EB to ST. Notably, mixed CTF samples from this series have shown CO2

Pure and mixed ordered monolayers of tetracyano-2,6-naphthoquinodimethane and hexathiapentacene on the Ag(100) surface

• Robert Harbers,
• Timo Heepenstrick,
• Dmitrii F. Perepichka and
• Moritz Sokolowski

Beilstein J. Nanotechnol. 2019, 10, 1188–1199, doi:10.3762/bjnano.10.118

• the frontier orbitals of the respective molecules we refer to Supporting Information File 1.) Accordingly, in the gas phase one does not expect spontaneous electron transfer from HTPEN to TNAP. This in contrast to the previously studied situation for the TTT/TNAP mixed structure on the Au(111) surface

• seen from a stable and smooth tunneling current without spikes due to molecules diffusing in and out of the tunnel gap. This indicates the presence of strong intermolecular attractions that lead to the formation of two-dimensional islands surrounded by a two-dimensional gas phase of molecules with only

Biocompatible organic–inorganic hybrid materials based on nucleobases and titanium developed by molecular layer deposition

• Leva Momtazi,
• Henrik H. Sønsteby and
• Ola Nilsen

Beilstein J. Nanotechnol. 2019, 10, 399–411, doi:10.3762/bjnano.10.39

• gas phase. ALD was initially developed for production of thin films of zinc sulphide [10], and since its introduction in the 1970s, it has expanded to include a wide range of materials, including organic–inorganic hybrid compounds. In both ALD and MLD, the precursors are introduced onto the surface of

Relation between thickness, crystallite size and magnetoresistance of nanostructured La_1−xSr_xMn_yO_3±δ films for magnetic field sensors

• Rasuole Lukose,
• Valentina Plausinaitiene,
• Milita Vagner,
• Nerija Zurauskiene,
• Skirmantas Kersulis,
• Virgaudas Kubilius,
• Karolis Motiejuitis,
• Birute Knasiene,
• Voitech Stankevic,
• Zita Saltyte,
• Martynas Skapas,
• Algirdas Selskis and
• Evaldas Naujalis

Beilstein J. Nanotechnol. 2019, 10, 256–261, doi:10.3762/bjnano.10.24

• series of films of variable thickness were deposited: I – one source with LSMO solution, II – 2 separate sources, LSMO solution and solvent source (Figure 1). The growth rate was controlled by application of additional solvent, resulting in the dilution of the precursor in the gas phase. The transmission

Thermal control of the defunctionalization of supported Au₂₅(glutathione)₁₈ catalysts for benzyl alcohol oxidation

• Zahraa Shahin,
• Hyewon Ji,
• Rodica Chiriac,
• Nadine Essayem,
• Franck Rataboul and
• Aude Demessence

Beilstein J. Nanotechnol. 2019, 10, 228–237, doi:10.3762/bjnano.10.21

• chemical sensing, bioimaging, biotherapy and catalysis. As a catalyst, GNCs, and mostly Au25(SR)18 gold thiolate clusters, have shown high activity for different reactions such as liquid or gas phase oxidation, hydrogenation, C–C coupling and electro/photocatalysis [13]. Based on different studies, it is

Zn/F-doped tin oxide nanoparticles synthesized by laser pyrolysis: structural and optical properties

• Florian Dumitrache,
• Iuliana P. Morjan,
• Elena Dutu,
• Ion Morjan,
• Claudiu Teodor Fleaca,
• Monica Scarisoreanu,
• Alina Ilie,
• Marius Dumitru,
• Cristian Mihailescu,
• Adriana Smarandache and
• Gabriel Prodan

Beilstein J. Nanotechnol. 2019, 10, 9–21, doi:10.3762/bjnano.10.2

• resonance between the emission line of a continuous wave CO2 laser (λ = 10.6 μm) and the infrared absorption band of at least one gas-phase component. An additional substance, the so-called sensitizer, is used in the case of non-absorbing gas/vapor precursors. The experimental arrangement consists of a heat

Hydrogen-induced plasticity in nanoporous palladium

• Markus Gößler,
• Eva-Maria Steyskal,
• Markus Stütz,
• Norbert Enzinger and
• Roland Würschum

Beilstein J. Nanotechnol. 2018, 9, 3013–3024, doi:10.3762/bjnano.9.280

• ) has been reported for loading from the gas phase at a hydrogen pressure of the order of 30 kPa [21] at 20 °C. In this compositional range two different phases coexist: At hydrogen concentrations below 0.02 (H/Pd) only the α-phase (solid solution, PdHα) is observed, while at higher concentrations the β

Controlling surface morphology and sensitivity of granular and porous silver films for surface-enhanced Raman scattering, SERS

• Sherif Okeil and
• Jörg J. Schneider

Beilstein J. Nanotechnol. 2018, 9, 2813–2831, doi:10.3762/bjnano.9.263

• , it enables a quick chemical modification under ambient conditions in the gas phase [64][66][67][68][69][70][71]. Thus, plasma treatment could present a straightforward and affordable alternative to the electrochemical roughening of silver and can be even used as a technological reliable alternative

• at low temperature in the gas phase, which can strongly interact with the exposed surface leading to distinct physical and chemical changes [63][76]. Therefore, it is interesting to investigate the influence of different kinds of rf plasmas on the surface of thin silver films, which are important

Variation of the photoluminescence spectrum of InAs/GaAs heterostructures grown by ion-beam deposition

• Alexander S. Pashchenko,
• Leonid S. Lunin,
• Eleonora M. Danilina and
• Sergei N. Chebotarev

Beilstein J. Nanotechnol. 2018, 9, 2794–2801, doi:10.3762/bjnano.9.261

• heterostructures [17][18][20][32][33]. In this regard, a study of the influence of Bi on the optical properties of InAs/GaAs heterostructures is an actual requirement. In this work, ion-beam deposition (IBD) is used to grow the samples. IBD has significant advantages over many methods of growth from the gas phase

Oriented zinc oxide nanorods: A novel saturable absorber for lasers in the near-infrared

• Pavel Loiko,
• Tanujjal Bora,
• Josep Maria Serres,
• Haohai Yu,
• Magdalena Aguiló,
• Francesc Díaz,
• Uwe Griebner,
• Valentin Petrov,
• Xavier Mateos and
• Joydeep Dutta

Beilstein J. Nanotechnol. 2018, 9, 2730–2740, doi:10.3762/bjnano.9.255

• exciton binding energy (60 meV) [3], allowing for efficient excitonic photoluminescence at room temperature, and due to their good mechanical and thermal stability. Arrays of ZnO NRs can be grown on various substrates (e.g., Si, Al2O3, glass) either by gas phase processes (e.g., by vapor–liquid–solid

Improved catalytic combustion of methane using CuO nanobelts with predominantly (001) surfaces

• Qingquan Kong,
• Yichun Yin,
• Bing Xue,
• Yonggang Jin,
• Wei Feng,
• Zhi-Gang Chen,
• Shi Su and
• Chenghua Sun

Beilstein J. Nanotechnol. 2018, 9, 2526–2532, doi:10.3762/bjnano.9.235

• release atomic oxygen after exceeding the small barrier of 0.47 eV, which can oxidize adsorbed CO to form CO2, as outlined in Figure 4i–l. The energy profile for the above full process is given in Figure 5 in units of eV, using the total energy of a clean (001) surface and free gas-phase CH4 and O2 as the

• dissociation energy (DE) from physical adsorption to dissociative adsorption have been employed, which are defined as follows. AE = E(CH4*) – E(surface) – E(CH4-gas phase) DE = E(CH3*-H*) – E(CH4*) To understand the catalysis mechanism, full methane oxidation, CH4 + 2O2 → CO2 + H2O, has been investigated in

Intrinsic ultrasmall nanoscale silicon turns n-/p-type with SiO₂/Si₃N₄-coating

• Dirk König,
• Daniel Hiller,
• Noël Wilck,
• Birger Berghoff,
• Merlin Müller,
• Sangeeta Thakur,
• Giovanni Di Santo,
• Luca Petaccia,
• Joachim Mayer,
• Sean Smith and
• Joachim Knoch

Beilstein J. Nanotechnol. 2018, 9, 2255–2264, doi:10.3762/bjnano.9.210

• approximant; one NC is embedded in SiO2 and one NC resides in Si3N4 (Figure 1). We found earlier that – regarding DFT – Si10-NCs are the smallest NCs above the atomic limit below which Si-clusters behave as small molecules in the gas phase [13]. The frontier-OMOs exist within the Si3N4-embedded Si-NC (Figure