The role of oxygen and water on molybdenum nanoclusters for electro catalytic ammonia production

• Jakob G. Howalt and
• Tejs Vegge

Beilstein J. Nanotechnol. 2014, 5, 111–120, doi:10.3762/bjnano.5.11

• -orbitals are filled additionally as the coverage of oxygen is increased. The preferred adsorption sites for the oxygen atoms are the three fold hollow sites, see Figure 3a. When all the three fold sites are filled, the oxygen atoms will adsorb in the four fold hollow sites, see Figure 3c, where additional

• adsorption sites are a mix of three fold hollow sites and bridge sites. Diagram of the required applied potential to make each reaction step exergonic for electrochemical ammonia production on the Mo13O9 through the associative mechanism. For all five studied reaction pathways, the highest required potential

• . Multiple adsorbed oxygen atoms have been reduced at the studied oxygen coverage. This is done to probe the reduction of all the unique adsorption sites at the studied oxygen coverage. The adsorption free energies of nitrogen and hydrogen with and without an applied potential on a partly oxygen covered Mo13

STM tip-assisted engineering of molecular nanostructures: PTCDA islands on Ge(001):H surfaces

• Amir A. Ahmad Zebari,
• Marek Kolmer and
• Jakub S. Prauzner-Bechcicki

Beilstein J. Nanotechnol. 2013, 4, 927–932, doi:10.3762/bjnano.4.104

• higher laying layers. Due to the applied bias voltage pulses we created new edges on the top-most layer offering convenient adsorption sites with high binding energies. Thus, we expect that an ascending interlayer transport is responsible for the newly grown top-most layer. The presence of the scanning

Adsorption of the ionic liquid [BMP][TFSA] on Au(111) and Ag(111): substrate effects on the structure formation investigated by STM

• Benedikt Uhl,
• Florian Buchner,
• Dorothea Alwast,
• Nadja Wagner and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2013, 4, 903–918, doi:10.3762/bjnano.4.102

• would be trapped on their adsorption sites before they are able to undergo a 2D nucleation and growth process during cool-down to 100 K. Sufficient mobility of individual molecules is indicated also by the mobility at the island edges. Therefore, the temperature for 2D melting is dominated by the

Ellipsometry and XPS comparative studies of thermal and plasma enhanced atomic layer deposited Al₂O₃-films

• Jörg Haeberle,
• Karsten Henkel,
• Hassan Gargouri,
• Franziska Naumann,
• Bernd Gruska,
• Michael Arens,
• Massimo Tallarida and
• Dieter Schmeißer

Beilstein J. Nanotechnol. 2013, 4, 732–742, doi:10.3762/bjnano.4.83

• incorporation of aluminum atoms into the layers due to a higher surface density of hydroxyl groups as the dominant adsorption sites for TMA [18]. At higher temperatures thermally activated dehydroxylation reactions occur and the GPC decreases [1]. In addition the CVD parasitic reactions mentioned above may lead

The role of electron-stimulated desorption in focused electron beam induced deposition

• Willem F. van Dorp,
• Thomas W. Hansen,
• Jakob B. Wagner and
• Jeff T. M. De Hosson

Beilstein J. Nanotechnol. 2013, 4, 474–480, doi:10.3762/bjnano.4.56

• in the reaction with the electrons and desorption to the gas phase: where g is the sticking factor, F is the gas flux, N0 is the density of adsorption sites in a monolayer, D is the diffusion coefficient, σ(E) is the cross section for dissociation, J is the electron flux, and τ is the residence time

Catalytic activity of nanostructured Au: Scale effects versus bimetallic/bifunctional effects in low-temperature CO oxidation on nanoporous Au

• Lu-Cun Wang,
• Yi Zhong,
• Haijun Jin,
• Daniel Widmann,
• Jörg Weissmüller and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2013, 4, 111–128, doi:10.3762/bjnano.4.13

Electronic and transport properties of kinked graphene

• Jesper Toft Rasmussen,
• Tue Gunst,
• Peter Bøggild,
• Antti-Pekka Jauho and
• Mads Brandbyge

Beilstein J. Nanotechnol. 2013, 4, 103–110, doi:10.3762/bjnano.4.12

• at the adsorption sites due to sp3 hybridisation [5]. Periodically ordered clusters of adsorbed hydrogen can be formed on graphene in patterns dictated by the Moiré lattice mismatch between graphene and the metal substrate, which opens a semiconducting band gap [6]. Finally, regular perforations

Plasmonics-based detection of H₂ and CO: discrimination between reducing gases facilitated by material control

• Gnanaprakash Dharmalingam,
• Nicholas A. Joy,
• Benjamin Grisafe and
• Michael A. Carpenter

Beilstein J. Nanotechnol. 2012, 3, 712–721, doi:10.3762/bjnano.3.81

• attributed to the number of adsorption sites (such as defects, etc., which are the preferred sites for adsorption [27]) being higher for this sample. For the medium- and large-particle samples, the reduced response to H2 in comparison to the small-particle sample may be a direct consequence of the fact that

Dipole-driven self-organization of zwitterionic molecules on alkali halide surfaces

• Laurent Nony,
• Franck Bocquet,
• Franck Para,
• Frédéric Chérioux,
• Eric Duverger,
• Frank Palmino,
• Vincent Luzet and
• Christian Loppacher

Beilstein J. Nanotechnol. 2012, 3, 285–293, doi:10.3762/bjnano.3.32

• above their preferred adsorption sites, at which the positive charge of the zwitterion would be strongly adsorbed on an anion Cl− (Figure 5a and Figure 5b). For NaCl there is a double modulation of the stress ε within the film along the direction (Figure 5e). In contrast to the case of KBr described

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

• a time T = 2.5 ns. Thus, D = /(4T) ≈ 10−10 m2·s−1. Discussion Molecular structures Figure 2 shows that step edges act as preferred adsorption sites for the molecules at low coverage. This is not surprising as the interaction of a CN group is expected to be enhanced due to the availability of

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

Micro- and mesoporous solids: From science to application

• Jörg J. Schneider

Beilstein J. Nanotechnol. 2011, 2, 774–775, doi:10.3762/bjnano.2.85

• adsorption sites and dynamics, a theoretical understanding, e.g., employing state of the art theoretical modeling techniques, is certainly necessary. The development of synthetic concepts for the formation of two-dimensional, layered, porous structures, e.g., by swelling and delamination followed by film

Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces

• David M. Benoit,
• Bruno Madebene,
• Inga Ulusoy,
• Luis Mancera,
• Yohann Scribano and
• Sergey Chulkov

Beilstein J. Nanotechnol. 2011, 2, 427–447, doi:10.3762/bjnano.2.48

• next section. The results obtained are in a good agreement with experiment [4] and allow the identification of possible adsorption sites for 4-mercaptopyridine using vibrational data alone, thus leading to a new type of structure determination for adsorbed organic molecules. Description of adsorbate

Influence of water on the properties of an Au/Mpy/Pd metal/molecule/metal junction

• Jan Kučera and
• Axel Groß

Beilstein J. Nanotechnol. 2011, 2, 384–393, doi:10.3762/bjnano.2.44

• isolated water molecule, as well as of a water layer arranged in a hexagonal bilayer, at the preferential adsorption sites on the densely packed palladium monolayer of the Au/Mpy/Pd system. In addition, we concentrate on the structural and electronic modification of the Au/Mpy/Pd complex upon water

Intermolecular vs molecule–substrate interactions: A combined STM and theoretical study of supramolecular phases on graphene/Ru(0001)

• Michael Roos,
• Benedikt Uhl,
• Daniela Künzel,
• Harry E. Hoster,
• Axel Groß and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2011, 2, 365–373, doi:10.3762/bjnano.2.42

• positions” - V). These are taken as representative for the different adsorption sites on the graphene/Ru(0001) surface. Recently, we demonstrated, for the adsorption of 2-phenyl-4,6-bis(6-(pyridin-2-yl)-4-(pyridin-4-yl)pyridin-2-yl)pyrimidine (2,4’-BTP) molecules on a Ru(0001) supported graphene film, that

• limitation to specific adsorption sites in combination with the distinct positions of the hydrogen bond donors and acceptors within the molecule results in the formation of 1D chain structures (Figure 3b), similar to findings recently reported for the adsorption of PTCDI molecules on graphene/Rh(111) [18

• corrugated surface without any disturbance due to the different adsorption sites [37]. Calculations To determine the corrugation of the adsorption potential, we summed up the different contributions to the adsorption energy (molecule–graphene and molecule–Ru interaction) and subtracted the adsorption energy

Defects in oxide surfaces studied by atomic force and scanning tunneling microscopy

• Thomas König,
• Georg H. Simon,
• Lars Heinke,
• Leonid Lichtenstein and
• Markus Heyde

Beilstein J. Nanotechnol. 2011, 2, 1–14, doi:10.3762/bjnano.2.1

• example, defects are often preferred adsorption sites and hence are particularly chemically active. Electrically charged defects may enable electron transfer processes, which play an important role in chemical reactions in general and in heterogeneous catalysis in particular. A sketch of a binary oxide

• on the MgO surface are investigated in detail and classified by their charge state. From calculations it has been proposed that color centers are directly involved in chemical reactions [23][24], e.g., as adsorption sites due to more attractive defect-adsorbate interactions compared with the pristine

• above the oxygen atoms [27], the maxima in the NC-AFM image are thought to correspond to the positions of the oxygen atoms. Furthermore, electron paramagnetic resonance (EPR) spectra have shown that the preferred adsorption sites for Au atoms are on top of the oxygen ions on the terrace of the MgO