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

• (the energy, the system gains when an atom is attached to the surface) and the dissociation energy of the apex atom (the energy necessary to detach it from the tip). If the dissociation energy is overcompensated by the adsorption energy, it is more favorable for the apex atom to remain on the substrate

• size of 6 × 6 × 4 unit cells, we get an adsorption energy of Ea = −5.89ε. Similarly, the dissociation energy Ed = 4.35ε is obtained as difference between the total energy of an isolated tip with and without the apex atom. This shows that the system lowers its energy, if the apex atom detaches from the

• tip and the substrate, because the dissociation energy for the apex atom is not overcompensated by the adsorption energy. The parameters are chosen such that the lattice constant of a KBr crystal is reproduced, and that the error of the cohesive energy is less than 5%. They are given in Table 2, this

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

• with gold and that a covalent Au–S bond is formed [23][64]. This bond has a dissociation energy of around 2.1 eV (ca. 50 kcal·mol−1), which is large enough to ensure the thermal stability of thiol monolayers up to 80 °C [65]. Furthermore, it is stronger than the Au–Au bond with a dissociation energy of

Molecular machines operating on the nanoscale: from classical to quantum

• Igor Goychuk

Beilstein J. Nanotechnol. 2016, 7, 328–350, doi:10.3762/bjnano.7.31

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

• species. It should be noted that in many cases the conclusions of the above mentioned investigations of dissociation processes in thiol self-assembly rely on the knowledge of the characteristic S 2p core level binding energies (CLBEs) for atomic S adsorption and the thiolate sulfur. These are usually

• observed. This could be due to an alternative adsorption site or to atomic S from dissociation. To clarify this, one needs information on the CLBEs for atomic S adsorption on Cu. Atomic S adsorption on Cu(100) and Cu(111) surfaces [81][82][83][84][85][86][87] leads to rather complex surface structures

• expected. These measurements thus indicate that in the initial stages of adsorption, S–C bond scission occurs, leading to sulfidation of the Cu surface. Thereafter, when the surface is passivated, molecular adsorption occurs. The remaining molecular fragment after dissociation appears to leave the surface

Influence of calcium on ceramide-1-phosphate monolayers

• Joana S. L. Oliveira,
• Gerald Brezesinski,
• Alexandra Hill and
• Arne Gericke

Beilstein J. Nanotechnol. 2016, 7, 236–245, doi:10.3762/bjnano.7.22

• temperatures studied show the same tendency (data of IRRAS measurements at 10 °C and 30 °C not shown). C1P has three dissociation states due to its phosphomonoester head group. The equilibrium constants pKa1 and pKa2 determine the state of C1P, defining whether the molecule will be completely deprotonated, one

• -fold deprotonated or neutral (no deprotonation) at a certain pH. The pKa2 of C1P was determined by Kooijman et al. [9] to lie within pH 5 and 8. The dissociation behaviour of C1P was shown to be similar to the one of LPA, obeying the electrostatic/hydrogen bond switch model, and to a certain extent to

• expected to be in the range of 2 < pH < 4, hence at pH 4 C1P should be one-fold deprotonated. The ionic strength of the subphase can influence the dissociation degree of the monolayer, since the counter-ions interact with the charged head groups. Usually the pKa values decrease with increasing ionic

Synthesis and applications of carbon nanomaterials for energy generation and storage

• Marco Notarianni,
• Jinzhang Liu,
• Kristy Vernon and
• Nunzio Motta

Beilstein J. Nanotechnol. 2016, 7, 149–196, doi:10.3762/bjnano.7.17

Single-molecule mechanics of protein-labelled DNA handles

• Vivek S. Jadhav,
• Dorothea Brüggemann,
• Florian Wruck and
• Martin Hegner

Beilstein J. Nanotechnol. 2016, 7, 138–148, doi:10.3762/bjnano.7.16

• ) were conjugated with streptavidin or neutravidin proteins. The DIG-modified ends of these hybrids were bound to surface-modified polystyrene (anti-DIG) beads. Using different physiological buffers, optical force measurements showed consistent mechanical characteristics with long dissociation times

• present a labelling technique of DIG-DNA-Bio with two different proteins, streptavidin and neutravidin. Using optical tweezers the mechanical characteristics and the dissociation times of the novel DNA–protein hybrids were studied in various physiological buffers. Experimental Protein labelling of dsDNA

• the antibody to beads that are modified with protein G is advised. We examined the dissociation time of PDH constructs with different lengths in TICO buffer with a constant bead-bead displacement by measuring the force as a function of time until the molecule ruptured (Figure 6a). With initial forces

pH-Triggered release from surface-modified poly(lactic-co-glycolic acid) nanoparticles

• Manuel Häuser,
• Klaus Langer and
• Monika Schönhoff

Beilstein J. Nanotechnol. 2015, 6, 2504–2512, doi:10.3762/bjnano.6.260

• adsorbs in a coiled conformation to yield a thick film. In ultrapure water (pH approx. 6), the degree of dissociation in the outermost PAA layer is increasing, causing a layer swelling due to electrostatic self-repulsion. Particularly noteworthy is the massive increase in hydrodynamic radius by more than

Light-powered, artificial molecular pumps: a minimalistic approach

• Giulio Ragazzon,
• Massimo Baroncini,
• Serena Silvi,
• Margherita Venturi and
• Alberto Credi

Beilstein J. Nanotechnol. 2015, 6, 2096–2104, doi:10.3762/bjnano.6.214

• photoisomerization of the A unit of 1H+ determines the threading/dethreading side (i.e., the height of the energy maximum) but, unfortunately, it does not affect the affinity of the axle for the macrocycle (i.e., the energy minimum). In other words, for these compounds under the employed conditions, the dissociation

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

• dissociation of HCN and the interaction of the dissociated species with the copper surface (and with the forming graphene clusters) can be strongly influenced by the CVD parameters (i.e., temperature and vapor composition). The growth of nitrogen-doped graphene by CVD of pyridine was recently demonstrated at

The role of low-energy electrons in focused electron beam induced deposition: four case studies of representative precursors

• Rachel M. Thorman,
• Ragesh Kumar T. P.,
• D. Howard Fairbrother and
• Oddur Ingólfsson

Beilstein J. Nanotechnol. 2015, 6, 1904–1926, doi:10.3762/bjnano.6.194

• low-energy electrons are abundant both inside and outside the area of the primary electron beam and are associated with reactions causing incomplete ligand dissociation from FEBID precursors. As it is not possible to directly study the effects of secondary electrons in situ in FEBID, other means must

• FEBID, specifically, dissociative electron attachment, dissociative ionization, neutral dissociation, and dipolar dissociation, emphasizing the different nature and energy dependence of each process. We then explore the value of studying these processes through comparative gas phase and surface studies

• are needed, these studies are an important stepping-stone toward better understanding the fundamental physics behind the deposition process and establishing design criteria for optimized FEBID precursors. Keywords: dipolar dissociation; dissociative electron attachment; dissociative ionization

Focused particle beam-induced processing

• Michael Huth and
• Armin Gölzhäuser

Beilstein J. Nanotechnol. 2015, 6, 1883–1885, doi:10.3762/bjnano.6.191

• dissociation channels at play in FEBID are reviewed in the article by Rachel Thormann and coworkers [1]. FEBID-specific continuum modeling approaches are elucidated in a review article by Milos Toth and collaborators [2]. An aspect thus far not considered in electron beam-induced growth is the role of surface

Metal hydrides: an innovative and challenging conversion reaction anode for lithium-ion batteries

• Luc Aymard,
• Yassine Oumellal and
• Jean-Pierre Bonnet

Beilstein J. Nanotechnol. 2015, 6, 1821–1839, doi:10.3762/bjnano.6.186

• deposition method such as Mg/MgH2 nanowires or nanofibers are under development for a few years now [69][70][71]. For instance Mg nanowire shows interesting modifications of both thermodynamics and kinetics compared to the bulk material: a decrease of the dissociation energy of about 12%, (30–50 nm nanowires

How decision analysis can further nanoinformatics

• Matthew E. Bates,
• Sabrina Larkin,
• Jeffrey M. Keisler and
• Igor Linkov

Beilstein J. Nanotechnol. 2015, 6, 1594–1600, doi:10.3762/bjnano.6.162

• selected as it is well suited for the classification of nanomaterials with uncertain or unavailable physiochemical properties. Five extrinsic characteristics (agglomeration, reactivity, critical functional groups, particle size and contaminant dissociation) and three factors that are dependent on the

Continuum models of focused electron beam induced processing

• Milos Toth,
• Charlene Lobo,
• Vinzenz Friedli,
• Aleksandra Szkudlarek and
• Ivo Utke

Beilstein J. Nanotechnol. 2015, 6, 1518–1540, doi:10.3762/bjnano.6.157

• reaction rate limited growth is that the electron-induced dissociation rate is much smaller than the sum of the adsorption rate and the thermal desorption rate, i.e., using the symbols defined below and in Table 1, for adsorbate species ‘a’, . Conversely, the mass transport limited growth regime (also

• by extending Equation 5 to account for the dissociation of adsorbates by electrons [16][19]: This equation is a sum of fluxes representing gas molecule arrival at the surface through adsorption (Λa), adsorbate removal through thermal desorption (−Naka), and adsorbate conversion to fragment species

• through electron induced dissociation (−∂Nα/∂t). In Equation 12, t = 0 represents the time at which electron irradiation is activated in the model, and the initial adsorbate concentration is given by Equation 7. Most models of FEBIP assume that the adsorbate dissociation flux, ∂Nα/∂t, is proportional to

Formation of pure Cu nanocrystals upon post-growth annealing of Cu–C material obtained from focused electron beam induced deposition: comparison of different methods

• Aleksandra Szkudlarek,
• Alfredo Rodrigues Vaz,
• Yucheng Zhang,
• Andrzej Rudkowski,
• Czesław Kapusta,
• Rolf Erni,
• Stanislav Moshkalev and
• Ivo Utke

Beilstein J. Nanotechnol. 2015, 6, 1508–1517, doi:10.3762/bjnano.6.156

• nanolithography technique, based on the local dissociation of adsorbates upon the irradiation with electrons [1]. The molecules are delivered into the microscope chamber by a gas injection system (GIS) where they reversibly physisorb onto the substrate surface. Part of the energy from the primary electron beam or

• gases/ions were developed. In the case of Pt–C deposits, the catalytic properties of Pt nanoparticles facilitate the process of molecular oxygen dissociation, thereby increasing the efficiency of removing the carbonaceous matrix [22]. Pure Pt material was obtained with a post deposition treatment using

• atom % of Au (rt) to 24 atom % of Au (at 100 °C). Increasing the substrate temperature during FEBID also favors the desorption of non-metallic dissociation by-products as it was observed by Mulders et al. [31] for various precursors: TEOS (tetraethylorthosilicate), Co(CO)3NO, Co2(CO)8, and Me2Au(acac

Current–voltage characteristics of manganite–titanite perovskite junctions

• Benedikt Ifland,
• Patrick Peretzki,
• Birte Kressdorf,
• Philipp Saring,
• Andreas Kelling,
• Michael Seibt and
• Christian Jooss

Beilstein J. Nanotechnol. 2015, 6, 1467–1484, doi:10.3762/bjnano.6.152

• for generation, dissociation and recombination of polaron pairs at the interface [38][39]. Such a scenario is typical for photovoltaic energy conversion in polymer systems with small polaron charges. Hence, a more general description using Shockley's equations for different p–n junctions having a

• fullerene C61-butyric acid methyl ester (PCBM) and µh = 5.0 × 10–7 cm2/V·s in the hole-doped polymer poly(2-methoxy-5-(3′,7′-dimethyloctyloxy)-p-phenylenevinylene) (MDMO–PPV) [2]. Absorption of photons leads to formation of tightly bound excitons that have a very low probability of dissociation. The exciton

• kppd,eq denote the polaron pair dissociation rate under transport and equilibrium conditions, respectively. The polaron dissociation mainly affects the reverse direction of the junction V < 0, where the increased electric field at the interface facilitates the polaron dissociation and kppd exceeds kppd

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

• by H making it inaccessible for N2 dissociation. These results (ammonia synthesis rate, mmol NH3 h−1g−1 Ru) are as good as or better than some results obtained on inorganic oxides supports [54][55] but less (≈10×) than some results reported with carbon nanotubes and nanofibers in the literature [43

Probing fibronectin–antibody interactions using AFM force spectroscopy and lateral force microscopy

• Andrzej J. Kulik,
• Małgorzata Lekka,
• Kyumin Lee,
• Grazyna Pyka-Fościak and
• Wieslaw Nowak

Beilstein J. Nanotechnol. 2015, 6, 1164–1175, doi:10.3762/bjnano.6.118

• perhaps related to the limitations of the Bell–Evans phenomenological model. The dissociation rate calculated using both applied methods shows systematically lower dissociation rates in the LFM data for each energy barrier observed (1.18 s−1 versus 0.53 s−1 and 20.12 s−1 versus 11.6 s−1, respectively

• molecules are pulled apart in the normal direction, they presumably unbind along a different reaction coordinate from the pull in the lateral (inclined) direction. In such a case, one may expect that the energy landscape (and hence the dissociation rate and width of the energy barrier) should be very

• different. However, it has been theoretically shown that the unbinding of a protein–antibody complex can have a similar character for both modes of enforced “dissociation” [25], illustrating that at initial stages the unbinding proceeds perhaps along the same global reaction pathway, independent of the

Electronic interaction in composites of a conjugated polymer and carbon nanotubes: first-principles calculation and photophysical approaches

• Florian Massuyeau,
• Jany Wéry,
• Jean-Luc Duvail,
• Serge Lefrant,
• Abu Yaya,
• Chris Ewels and
• Eric Faulques

Beilstein J. Nanotechnol. 2015, 6, 1138–1144, doi:10.3762/bjnano.6.115

• photoconductivity and PL behavior can be attributed to the dissociation of excitons and migration of charges onto the SWNTs. Other composite nanomaterials such as MEH-PPV/CdS, CdSe, MEH-PPV/silica, and PPV/TiO2 show a similar PL quenching when the mass percentage of nanomaterials introduced into the conjugated

• approach assumes that the radiative and non-radiative lifetimes τr, τnr can be expressed as a function of the PL quantum yield Q, , . τnr accounts for phonon emission, intersystem crossing to triplet states, trapping at chemical defects and exciton migration/dissociation. For standard PPV (x = 0%) we find

• polymer matrix increases. In the composite the SWNTs operate as exciton dissociation centers. The augmented carrier mobility is confirmed by the photoconductive behavior of the composites and is consistent with our DFT calculations showing strong coupling between PPV and semiconducting SWNT electronic

Electron-stimulated purification of platinum nanostructures grown via focused electron beam induced deposition

• Brett B. Lewis,
• Michael G. Stanford,
• Jason D. Fowlkes,
• Kevin Lester,
• Harald Plank and
• Philip D. Rack

Beilstein J. Nanotechnol. 2015, 6, 907–918, doi:10.3762/bjnano.6.94

• ]. Additionally, FEBID is a more gentle technique as compared to similar techniques (e.g., ion beam induced deposition (IBID)) which is beneficial for many applications. The major drawback to FEBID is the purity of the final deposits which results from unwanted precursor fragments left after dissociation. The

• –corrector method and is second order accurate with a cubed truncation error. Adsorbed, immobile atomic oxygen COim is available for electron-induced dissociation as represented by Equation 3 and provides the coupling between the Monte Carlo electron scattering simulation and the transport calculations

Protein corona – from molecular adsorption to physiological complexity

• Lennart Treuel,
• Dominic Docter,
• Michael Maskos and
• Roland H. Stauber

Beilstein J. Nanotechnol. 2015, 6, 857–873, doi:10.3762/bjnano.6.88

• parameters for a comparable biophysical understanding of NP–protein interactions [4][5][6][7][9][12][47][53][81][111]. They should, however, generally be interpreted with caution: While convincing evidence has been presented for the true equilibrium nature of the NP–protein association/dissociation process

• replaced by less abundant proteins with a higher affinity to the surface [165]. The resulting dynamic exchange between bound and unbound predicted by this model should, in this notion, be controlled by the association and dissociation constants of various individual proteins. As a consequence of this

Fundamental edge broadening effects during focused electron beam induced nanosynthesis

• Roland Schmied,
• Jason D. Fowlkes,
• Robert Winkler,
• Phillip D. Rack and
• Harald Plank

Beilstein J. Nanotechnol. 2015, 6, 462–471, doi:10.3762/bjnano.6.47

• ][49][50] with its maximum clearly below 1 keV, it is very likely that secondary electrons type II (SE-II) are mainly responsible for the dissociation although a direct dissociation through BSE-S is also likely to contribute. Hence, it can be concluded that the outer-halo can predominantly be assigned

• non-functional outer halo (C-AFM, Figure 4) revealing distinctly different surface potentials compared to the central deposit (KFM, Figure 3). It is well-known that the dissociation of the MeCpPt(IV)Me3 precursor molecules is not a single step process [2][3][16][17]. Thus, we suggest the low areal

• flux of substrate related BSE-S/SE-II-S at high primary energies results in a partial dissociation, e.g., single methyl dissociation [51], which hinders the formation of Pt nanograins. This is further supported by the very low thickness of the OH [44]. This can explain both, the distinctly different

Hematopoietic and mesenchymal stem cells: polymeric nanoparticle uptake and lineage differentiation

• Ivonne Brüstle,
• Thomas Simmet,
• Gerd Ulrich Nienhaus,
• Katharina Landfester and
• Volker Mailänder

Beilstein J. Nanotechnol. 2015, 6, 383–395, doi:10.3762/bjnano.6.38

• cell nuclei blue. Quantitative real time PCR (qPCR) Total RNA was extracted from hHSCs or hMSCs using the RNeasy Kit (Qiagen, Hilden, Germany) according to the manufactures instructions. For better cell dissociation, Qiashredder columns (Qiagen, Germany) were used. RNA was transcribed using iScript

Materials and characterization techniques for high-temperature polymer electrolyte membrane fuel cells

• Roswitha Zeis

Beilstein J. Nanotechnol. 2015, 6, 68–83, doi:10.3762/bjnano.6.8

• H2PO4− bands in the spectra of the acid-doped AB-PBI membranes suggests that an acid–base reaction has occurred, evidence of both these species is also present in the phosphoric acid spectrum due to the dissociation equilibrium that exists in aqueous phosphoric acid. IR studies of the adsorption of