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

• presence of other lipids (DOPC and DOPE), and found that the environment has a strong influence on the charge state of the phosphomonoester head groups [9]. The pKa2 of C1P is in the range of physiological values (5 < pH < 8) and similar to the one of lyso-phosphatidic acid (LPA) [10]. Since the monolayer

• stronger influence on the charge state of the monolayer (slightly deprotonated at pH 9) compared to a higher concentration of Na+, no quantitative information about the deprotonation state of the monolayer is available. Again, at all temperatures and pressures studied the same tendency was found. This

A single-source precursor route to anisotropic halogen-doped zinc oxide particles as a promising candidate for new transparent conducting oxide materials

• Daniela Lehr,
• Markus R. Wagner,
• Johanna Flock,
• Julian S. Reparaz,
• Clivia M. Sotomayor Torres,
• Alexander Klaiber,
• Thomas Dekorsy and
• Sebastian Polarz

Beilstein J. Nanotechnol. 2015, 6, 2161–2172, doi:10.3762/bjnano.6.222

• with typical shallow donor bound excitons in the neutral charge state and is found very close to the well-known position of the shallow Ga donor D0X I8 or Al D0X I6 [73]. In addition an emission line at 3.333 eV is visible in the spectra of ZnO1−xClx with x = 2.5%. This transition, which is labeled Y0

Electrostatic interplay: The interaction triangle of polyamines, silicic acid, and phosphate studied through turbidity measurements, silicomolybdic acid test, and ²⁹Si NMR spectroscopy

• Anne Jantschke,
• Katrin Spinde and
• Eike Brunner

Beilstein J. Nanotechnol. 2014, 5, 2026–2035, doi:10.3762/bjnano.5.211

• , 5.5. and 6.8. However, the pKa values of polyallylamine, i.e., of allylamine in its polymeric form, are likely to be different from the monomer. Kobayashi et al. and Rao et. al. estimated a pKa value of 9.7 for polyallylamine [44][45]. The real charge state of PAH is yet hardly predictable, but it

• than the polymer, PAH, in inducing the aggregation process at pH 6.8. This observation agrees with previous studies performed by Behrens et al. [50] on other polyamines. It should be noted that allylamineQ is slightly more efficient than allylamine at pH 6.8 although the charge state of both molecules

• processes. In order to further substantiate this effect, a series of diamines with different degree of methylation was studied, the compounds and their charge state are described in Table 1. The absorbance of sodium metasilicate solutions containing these additives are displayed in Figure 6. The solution

Constant chemical potential approach for quantum chemical calculations in electrocatalysis

• Wolfgang B. Schneider and
• Alexander A. Auer

Beilstein J. Nanotechnol. 2014, 5, 668–676, doi:10.3762/bjnano.5.79

• after adding or removing fractions of electrons, various quantities like the Fermi level (in that case the HOMO energy) or the numerical derivative of the energy with respect to the number of electrons can be used to associate a specific charge state of the system with its electrochemical potential

• , RMS density change up to 10−6 and the DIIS error up to 10−6 a.u. Furthermore, all calculations have been carried out without level shift for the virtual orbitals. After the convergence of the initial charge state with 16 electrons is achieved, the number electrons is slightly increased. However, in

Neutral and charged boron-doped fullerenes for CO₂ adsorption

• Suchitra W. de Silva,
• Aijun Du,
• Wijitha Senadeera and
• Yuantong Gu

Beilstein J. Nanotechnol. 2014, 5, 413–418, doi:10.3762/bjnano.5.49

• electron density distributions of the lowest unoccupied molecular orbitals (LUMO) are adopted to assess the influence of changing the charge state of BC59. Figure 3 shows that the LUMO of the neutral BC59 is noticeably concentrated on the B atom and the neighbouring C atoms. Furthermore experimental

• than 350 K. Therefore we suggest a method of manipulating the charge state and the temperature of the system for adsorbent recycling. Charging the system can be achieved by electrochemical methods, electrospray, and electron beam or gate voltage control methods [8]. Conclusion By using DFT calculations

Structural and electronic properties of oligo- and polythiophenes modified by substituents

• Simon P. Rittmeyer and
• Axel Groß

Beilstein J. Nanotechnol. 2012, 3, 909–919, doi:10.3762/bjnano.3.101

• charge state per unit cell in units of the elementary charge |e|. Acknowledgements Useful discussions with Elena Mena-Osteritz are gratefully acknowledged.

Diamond nanophotonics

• Katja Beha,
• Helmut Fedder,
• Marco Wolfer,
• Merle C. Becker,
• Petr Siyushev,
• Mohammad Jamali,
• Anton Batalov,
• Christopher Hinz,
• Jakob Hees,
• Lutz Kirste,
• Harald Obloh,
• Etienne Gheeraert,
• Boris Naydenov,
• Ingmar Jakobi,
• Florian Dolde,
• Sébastien Pezzagna,
• Daniel Twittchen,
• Matthew Markham,
• Daniel Dregely,
• Harald Giessen,
• Jan Meijer,
• Fedor Jelezko,
• Christoph E. Nebel,
• Rudolf Bratschitsch,
• Alfred Leitenstorfer and
• Jörg Wrachtrup

Beilstein J. Nanotechnol. 2012, 3, 895–908, doi:10.3762/bjnano.3.100

• low-temperature quantum control, such as single-shot electron-spin readout [11] or resonant-charge-state discrimination [12]. Due to the high cost associated with a macroscopic diamond lens, it would be very interesting to fabricate instead a microscopic hemisphere (ca. 10 micrometers) into the

Junction formation of Cu₃BiS₃ investigated by Kelvin probe force microscopy and surface photovoltage measurements

• Fredy Mesa,
• William Chamorro,
• William Vallejo,
• Robert Baier,
• Thomas Dittrich,
• Alexander Grimm,
• Martha C. Lux-Steiner and
• Sascha Sadewasser

Beilstein J. Nanotechnol. 2012, 3, 277–284, doi:10.3762/bjnano.3.31

• structure of grain boundaries in these polycrystalline materials. For the NH3-etched Cu3BiS3 sample, only a weak correspondence can be observed between the topography (Figure 2a) and the work function (Figure 2i), indicating that the charge state at the grain boundaries is similar to that of the grain

Charge transfer through single molecule contacts: How reliable are rate descriptions?

• Denis Kast,
• L. Kecke and
• J. Ankerhold

Beilstein J. Nanotechnol. 2011, 2, 416–426, doi:10.3762/bjnano.2.47

• heat bath. Qualitatively, since the dot occupation d†d can only take the values q = 0 or 1, the sub-unit HD + HD,Ph + HPh describes a two state system coupled to a harmonic mode (spin–boson model [20]). Depending on the charge state of the dot the phonon mode is subject to potentials Vq(x0) = (m/2)(x0

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

• applied on thin oxide films beyond imaging the topography of the surface atoms. Keywords: aluminum oxide; charge state; contact potential; defects; domain boundaries; dynamic force microscopy; frequency modulation atomic force microscopy; Kelvin probe force microscopy; magnesium oxide; non-contact atomic

• 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