Coupled molecular and cantilever dynamics model for frequency-modulated atomic force microscopy

• Michael Klocke and
• Dietrich E. Wolf

Beilstein J. Nanotechnol. 2016, 7, 708–720, doi:10.3762/bjnano.7.63

• in significant amounts. However, the adhesion hysteresis becomes weaker and ultimately ceases to exist: The increased short-range attraction makes it more and more difficult to let the projection atom jump from the substrate towards the approaching tip. The high coordination number wins over the

Finite-size effect on the dynamic and sensing performances of graphene resonators: the role of edge stress

• Chang-Wan Kim,
• Mai Duc Dai and
• Kilho Eom

Beilstein J. Nanotechnol. 2016, 7, 685–696, doi:10.3762/bjnano.7.61

• the coordination numbers of bulk atoms and edge atoms of graphene. It is shown that as the size of a graphene resonator decreases, the edge stress depending on the edge structure of a graphene resonator plays a critical role on both its dynamic and sensing performances. We found that the resonance

• nanometer scale, the edge atoms, which have different bond coordination numbers than bulk atoms, begin to play a vital role in the dynamic behavior of graphene. In particular, this imbalance between the coordination numbers of edge atoms and bulk atoms gives rise to edge stress on a graphene sheet [26][27

Investigating organic multilayers by spectroscopic ellipsometry: specific and non-specific interactions of polyhistidine with NTA self-assembled monolayers

• Ilaria Solano,
• Pietro Parisse,
• Ornella Cavalleri,
• Federico Gramazio,
• Loredana Casalis and
• Maurizio Canepa

Beilstein J. Nanotechnol. 2016, 7, 544–553, doi:10.3762/bjnano.7.48

• the new medium, the samples were immersed in 0.5 M EDTA (pH 8.6) solution for 15 min in order to remove undesired divalent metal ions and rinsed in MilliQ water. Soaking the NTA samples in a solution of 10 mM NiCl2 in 20 mM Tris (pH 7.4) for 5–10 min allowed for the coordination of NTA COOH groups

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

• adsorption energy per water molecule further increases because of the higher coordination upon formation of the second layer. Next, we have considered water structures on stepped Pb(311), Pb(511) and Pb(711) surfaces. There are only few studies addressing the structure of water at stepped metal surfaces [16

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

• loosely packed films, commonly associated with weakly bound sulfur, unbound sulfur, disulfide moieties or a week coordination-type binding to the substrate. However, it should be noted that despite a better arrangement, a higher packing density and a significantly lower level of contaminations in the

Case studies on the formation of chalcogenide self-assembled monolayers on surfaces and dissociative processes

• Yongfeng Tong,
• Tingming Jiang,
• Azzedine Bendounan,
• Makri Nimbegondi Kotresh Harish,
• Angelo Giglia,
• Stefan Kubsky,
• Fausto Sirotti,
• Luca Pasquali,
• Srinivasan Sampath and
• Vladimir A. Esaulov

Beilstein J. Nanotechnol. 2016, 7, 263–277, doi:10.3762/bjnano.7.24

• [105][106][107][108][109][110]. This has been related to low coordination sites [109][110] and to the density of steps and different kinds of surface defects. Variability, to the extent of dissociation processes, could thus be expected depending upon the structure of the surface. Selenophene on Cu(111

• the preparation procedures appear to be reasonably good. We would relate this at least partly to surface morphology, since reactivity can be large at low coordination sites and depends on the density of steps and different kinds of surface defects. It is important to delineate this from the point of

Single-molecule magnet behavior in 2,2’-bipyrimidine-bridged dilanthanide complexes

• Wen Yu,
• Frank Schramm,
• Eufemio Moreno Pineda,
• Yanhua Lan,
• Olaf Fuhr,
• Jinjie Chen,
• Hironari Isshiki,
• Wolfgang Wernsdorfer,
• Wulf Wulfhekel and
• Mario Ruben

Beilstein J. Nanotechnol. 2016, 7, 126–137, doi:10.3762/bjnano.7.15

• symmetric shape. In combination these properties stabilize the symmetric coordination on both 1,4-diimine coordination sites. For homo-dinuclear complexes, the electronic or magnetic interaction between two metal centers remains unperturbed by asymmetry. Additionally, the coordination of the peripheral

• from the tmhd and two nitrogen atoms of the bpm, resulting in an O6N2 donor set. The coordination polyhedron around the lanthanide ion can be most closely described as a square antiprism (see Supporting Information File 1, Table S1) (D4d, CShM of 0.605) [35][36]. The coordination polyhedron, as

• defined by the aromatic pyrimidine rings of the bpm ligand, creating a chair-like conformation (Figure 1). The point group of the molecules varies between C1 and Ci depending on the degree of distortion within the molecule. The two coordination spheres within each dinuclear compound are more or less

Surface-site reactivity in small-molecule adsorption: A theoretical study of thiol binding on multi-coordinated gold clusters

• Elvis C. M. Ting,
• Tatiana Popa and
• Irina Paci

Beilstein J. Nanotechnol. 2016, 7, 53–61, doi:10.3762/bjnano.7.6

• cluster with a broad range of metal site coordination numbers, from 3 to 9, and examined the binding conditions of methylthiol at the various sites. Conclusion: We found that despite the small molecular size, the dispersive interactions of the backbone are a determining factor in the molecular affinity

• for various sites. Kink sites were preferred binding locations due to the availability of multiple surface atoms for dispersive interactions with the methyl groups, whereas tip sites experienced low affinity, despite having low coordination numbers. Keywords: coordination; gold clusters; methylthiol

• in aminoacid or peptide behavior upon adsorption on non-ideal surfaces, i.e., substrates with adatoms, high-Miller-index facets or surface curvature have been examined individually [41][42][43][44][45], but no rigorous studies of the dependence of surface binding on site reactivity or coordination

Nitrogen-doped graphene films from chemical vapor deposition of pyridine: influence of process parameters on the electrical and optical properties

• Andrea Capasso,
• Theodoros Dikonimos,
• Francesca Sarto,
• Alessio Tamburrano,
• Giovanni De Bellis,
• Maria Sabrina Sarto,
• Giuliana Faggio,
• Angela Malara,
• Giacomo Messina and
• Nicola Lisi

Beilstein J. Nanotechnol. 2015, 6, 2028–2038, doi:10.3762/bjnano.6.206

• this case, the N atom usually bonds with one O and two C atoms. It should be noted that the curve deconvolution of the N1s spectra does not seem to show trace of pyrrolic N, i.e., N atoms contributing two p electrons to the π system (e.g., the kind of coordination an N atom has in the five-membered C

Distribution of Pd clusters on ultrathin, epitaxial TiO_x films on Pt₃Ti(111)

• Christian Breinlich,
• Maria Buchholz,
• Marco Moors,
• Tobias Pertram,
• Conrad Becker and
• Klaus Wandelt

Beilstein J. Nanotechnol. 2015, 6, 2007–2014, doi:10.3762/bjnano.6.204

• metallic substrate. As suggested by theoretical calculations, the stripes consist of titanium atoms of different coordination [18]. Using a negative tip potential, four-fold oxygen-coordinated Ti atoms appear with the highest contrast in the STM images. They are surrounded by less bright, three-fold oxygen

Nanocuration workflows: Establishing best practices for identifying, inputting, and sharing data to inform decisions on nanomaterials

• Christina M. Powers,
• Karmann A. Mills,
• Stephanie A. Morris,
• Fred Klaessig,
• Sharon Gaheen,
• Nastassja Lewinski and
• Christine Ogilvie Hendren

Beilstein J. Nanotechnol. 2015, 6, 1860–1871, doi:10.3762/bjnano.6.189

• bioinformatics, the general nanotechnology public, and Center investigators), and function (modeling for repeatable experimentation, accessing nanomaterial sources, exploratory research requiring coordination among disciplines). For each, “high quality” means fit-for-purpose and thus the curation workflow is

The Nanomaterial Data Curation Initiative: A collaborative approach to assessing, evaluating, and advancing the state of the field

• Christine Ogilvie Hendren,
• Christina M. Powers,
• Mark D. Hoover and
• Stacey L. Harper

Beilstein J. Nanotechnol. 2015, 6, 1752–1762, doi:10.3762/bjnano.6.179

• six signature initiatives of the National Nanotechnology Coordination Office, also provides a resource for federal agencies in the United States to work toward shared data streams (http://www.nano.gov/NSINKI). The Materials Genome Initiative (http://materialsinnovation.tms.org/genome.aspx) is a

Radiation losses in the microwave K_u band in magneto-electric nanocomposites

• Talwinder Kaur,
• Sachin Kumar,
• Jyoti Sharma and
• A. K. Srivastava

Beilstein J. Nanotechnol. 2015, 6, 1700–1707, doi:10.3762/bjnano.6.173

• ferric crystallographic site (octahedral or tetrahedral coordination) [30]. The broad spectral vibration in the region 1585–1146 cm−1 can be assigned to N–H deformation and C–N stretching. The peak at 1584 cm−1 is attributed to stretching vibration of C=N, the peak at 1296 cm−1 is assigned to stretching

• ″) and to the dielectric constant (ε′). The unsaturated coordination on the surface, nano-sized hexaferrite, the dangling bond atoms, and the enhanced surface area lead to multiple scattering resulting in the loss of radiation. Quantum size effects generate a separation among energy levels. Upon

Possibilities and limitations of advanced transmission electron microscopy for carbon-based nanomaterials

• Xiaoxing Ke,
• Carla Bittencourt and
• Gustaaf Van Tendeloo

Beilstein J. Nanotechnol. 2015, 6, 1541–1557, doi:10.3762/bjnano.6.158

• structure (ELNES) spectra was collected simultaneously as probed by a highly converged electron probe. Carbon atoms with single-, double- and triple-coordination were distinguished through the information gathered on the electronic and bonding structures (Figure 6c,d). In comparison, ELNES performed on

Molecular materials – towards quantum properties

• Mario Ruben

Beilstein J. Nanotechnol. 2015, 6, 1485–1486, doi:10.3762/bjnano.6.153

• coupling between molecular qubits as required by scalability for logical quantum gate operations. We have gathered in the Thematic Series contributions dealing with the magnetic properties of molecules, partially under use of lanthanide metal ions und their coordination under surface confinement. By the

Heterometal nanoparticles from Ru-based molecular clusters covalently anchored onto functionalized carbon nanotubes and nanofibers

• Deborah Vidick,
• Xiaoxing Ke,
• Michel Devillers,
• Claude Poleunis,
• Arnaud Delcorte,
• Pietro Moggi,
• Gustaaf Van Tendeloo and
• Sophie Hermans

Beilstein J. Nanotechnol. 2015, 6, 1287–1297, doi:10.3762/bjnano.6.133

• case. Clusters containing gold in general lead to lower anchoring yields for the same reason. The presence of bulky phosphine groups causes steric repulsion and disfavors the cluster approach on the carbon surface. Moreover, Au presents a linear coordination geometry, hence, it binds to a terminal

Charge carrier mobility and electronic properties of Al(Op)₃: impact of excimer formation

• Andrea Magri,
• Pascal Friederich,
• Bernhard Schäfer,
• Valeria Fattori,
• Xiangnan Sun,
• Timo Strunk,
• Velimir Meded,
• Luis E. Hueso,
• Wolfgang Wenzel and
• Mario Ruben

Beilstein J. Nanotechnol. 2015, 6, 1107–1115, doi:10.3762/bjnano.6.112

• near-UV and 475 nm [20] and its phosphorescence at 17,350 cm−1, which is characterized by a lifetime of about 25 ms [21]. Furthermore, Van Deun et al. demonstrated that 9-hydroxyphenalen-1-one can form stable complexes with lanthanides and transfer energy to europium in coordination complexes [22

• easier delocalization and transport of electrons (sustained by the extended aromatic system of the ligand forming the coordination complex Al(Op)3) is confirmed by the electron mobility calculation. The predicted electron mobility for Al(Op)3 and Alq3 is 1.4 × 10−4 and 3.3 × 10−8 cm2·V−1·s−1

From lithium to sodium: cell chemistry of room temperature sodium–air and sodium–sulfur batteries

• Philipp Adelhelm,
• Pascal Hartmann,
• Conrad L. Bender,
• Martin Busche,
• Christine Eufinger and
• Juergen Janek

Beilstein J. Nanotechnol. 2015, 6, 1016–1055, doi:10.3762/bjnano.6.105

• to lithium (+82% for the atom and +25% to +55% for the ion, depending on the coordination) lead to larger volume changes during cycling. Sodium-based electrodes might therefore degrade faster and the formation of stable interfaces might become more difficult. But the smaller size of the lithium ion

Magnetic properties of self-organized Co dimer nanolines on Si/Ag(110)

• Lisa Michez,
• Kai Chen,
• Fabien Cheynis,
• Frédéric Leroy,
• Alain Ranguis,
• Haik Jamgotchian,
• Margrit Hanbücken and
• Laurence Masson

Beilstein J. Nanotechnol. 2015, 6, 777–784, doi:10.3762/bjnano.6.80

• -dimensional (2D) and one-dimensional (1D) Co nanostructures has shown that magnetic properties are highly size dependent, due to the low coordination of the atoms of atomic-scale nanostructures [1][18]. For such nanostructures, enhanced magnetic anisotropy energy (MAE) and orbital moment have been evidenced

A versatile strategy towards non-covalent functionalization of graphene by surface-confined supramolecular self-assembly of Janus tectons

• Ping Du,
• David Bléger,
• Fabrice Charra,
• Vincent Bouchiat,
• David Kreher,
• Fabrice Mathevet and
• André-Jean Attias

Beilstein J. Nanotechnol. 2015, 6, 632–639, doi:10.3762/bjnano.6.64

• in non-covalent interactions such as hydrogen bonding [13][14][15], metal–ligand coordination bonding [16][17] or even van der Waals interactions [18][19]. Thus, surface-confined supramolecular chemistry on surfaces appears to be the method of choice for the simple production of ordered arrays of

• , molecular, in-plane confined, self-assembly studies to graphene substrates. However, to date, the majority of the investigations deal with only a few of molecules: 3,4,9,10-perylenetetracarboxylic dianhydride (PTCDA), phthalocyanine (and its metal coordination complexes), and C60 fullerenes [20]. Moreover

Self-assembled anchor layers/polysaccharide coatings on titanium surfaces: a study of functionalization and stability

• Ognen Pop-Georgievski,
• Dana Kubies,
• Josef Zemek,
• Neda Neykova,
• Roman Demianchuk,
• Eliška Mázl Chánová,
• Miroslav Šlouf,
• Milan Houska and
• František Rypáček

Beilstein J. Nanotechnol. 2015, 6, 617–631, doi:10.3762/bjnano.6.63

• bearing phosphonate [14][26][27] and bisphosphonate (BP) [28][29] groups. Upon hydrolysis, these form strong mono- and bi-dentate coordination bonds with metal surfaces [30]. Inspired by the composition of mussel adhesive proteins, Messersmith et al. [31] proposed the formation of poly(dopamine) (PDA

• ) confluent films as a substrate-independent modification approach. The ability of PDA to adhere to solid surfaces stems from the reactivity of ortho-quinone/catechol moieties that form coordination bonds with surface metal oxides and covalent bonds with nucleophilic groups. In addition to this, the different

Raman spectroscopy as a tool to investigate the structure and electronic properties of carbon-atom wires

• Alberto Milani,
• Matteo Tommasini,
• Valeria Russo,
• Andrea Li Bassi,
• Andrea Lucotti,
• Franco Cataldo and
• Carlo S. Casari

Beilstein J. Nanotechnol. 2015, 6, 480–491, doi:10.3762/bjnano.6.49

• , Via Casilina 1626A, 00133 Roma, Italy 10.3762/bjnano.6.49 Abstract Graphene, nanotubes and other carbon nanostructures have shown potential as candidates for advanced technological applications due to the different coordination of carbon atoms and to the possibility of π-conjugation. In this context

Biological responses to nanoscale particles

• Reinhard Zellner

Beilstein J. Nanotechnol. 2015, 6, 380–382, doi:10.3762/bjnano.6.37

• program. Finally, it is necessary to mention that without the enormous commitment of my resident colleagues, Dr. Oliver Locker-Grütjen and Dr. Michael Eisinger from ZWU, as well as of my secretaries, Iris Marissen and Natascha Seyock, the coordination of the program would not have been as effective and

Nanoparticle shapes by using Wulff constructions and first-principles calculations

• Georgios D. Barmparis,
• Zbigniew Lodziana,
• Nuria Lopez and
• Ioannis N. Remediakis

Beilstein J. Nanotechnol. 2015, 6, 361–368, doi:10.3762/bjnano.6.35

• the host matrix the shape of LiBH4 cluster is not perturbed by the interfacial interaction. However, NMR experiments indicate a larger shielding of the boron nucleus (11B) in nanoconfined state, this can be explained only if the coordination of BH4− anions is lower than three (the coordination number

• is four in the bulk) [65]. Such low coordination is possible only for two dimensional structures; the surface anions in the Wulff shape crystal have coordination three. However, the intensity of NMR lines suggest that the number of low coordinated atoms is larger than the number found in the Wulff

• additions to the method can account for detailed atomistic structure of the nanoparticles, including coordination numbers of their atoms and density of active sites, while it can even take into account complex crystal structures and attached ligands. As such, it is expected to play a key role within

Synthesis, characterization, monolayer assembly and 2D lanthanide coordination of a linear terphenyl-di(propiolonitrile) linker on Ag(111)

• Zhi Chen,
• Svetlana Klyatskaya,
• José I. Urgel,
• David Écija,
• Olaf Fuhr,
• Willi Auwärter,
• Johannes V. Barth and
• Mario Ruben

Beilstein J. Nanotechnol. 2015, 6, 327–335, doi:10.3762/bjnano.6.31

• and metal coordination at interfaces. The structure of the organic linker 2 was confirmed by single crystal X-ray diffraction analysis (XRD). On the densely packed Ag(111) surface, the terphenyl-4,4"-di(propiolonitrile) linkers self-assemble in a regular, molecular chevron arrangement exhibiting a

• Moiré pattern. After the exposure of the molecular monolayer to a beam of Gd atoms, the propiolonitrile groups get readily involved in metal–ligand coordination interactions. Distinct coordination motifs evolve with coordination numbers varying between three and six for the laterally-bound Gd centers

• several length scales on atomically well-defined surfaces under ultrahigh vacuum (UHV) conditions) have been achieved [13][14][15][18][19]. More recently, our groups have successfully extended this approach toward the on-surface coordination of f-block organic networks exhibiting five-vertex, Archimedean