Fully scalable one-pot method for the production of phosphonic graphene derivatives

• Kamila Żelechowska,
• Marta Prześniak-Welenc,
• Marcin Łapiński,
• Izabela Kondratowicz and
• Tadeusz Miruszewski

Beilstein J. Nanotechnol. 2017, 8, 1094–1103, doi:10.3762/bjnano.8.111

• the emitted photoelectrons. The binding energies were corrected using the background C 1s line (285.0 eV) as a reference [29]. XPS spectra were analysed with Casa-XPS software using a Shirley background subtraction and Gaussian–Lorentzian fits. Simultaneous thermogravimetric analysis (TGA) and

Stable Au–C bonds to the substrate for fullerene-based nanostructures

• Taras Chutora,
• Jesús Redondo,
• Bruno de la Torre,
• Martin Švec,
• Pavel Jelínek and
• Héctor Vázquez

Beilstein J. Nanotechnol. 2017, 8, 1073–1079, doi:10.3762/bjnano.8.109

• fullerene binding energies, ghost orbitals were used to correct for basis set superposition errors [49]. (a) (200 × 200 nm2) High-resolution STM image (Ub = −0.5 V, Is = 0.3 nA) of Au (111) after deposition of C60. The molecules formed self-assembled islands, attached to the surface-terrace edges as

• in fact is found to be closer to the metal surface in the optimized geometry. From the calculations, the binding energy of the defect-down geometry (Figure 4b) is ca. 1.6 eV. This is much higher than that of the defect-up (Figure 4c) and the pristine C60 (Figure 4d) structures. The calculated binding

• energies of these two structures is (in the absence of van der Waals forces) close to zero. This indicates that changes in the electronic structure arising from the vacancy when it is oriented towards vacuum do not significantly affect the metal–molecule contact. In contrast to the value of the defect-down

Energy-level alignment at interfaces between manganese phthalocyanine and C₆₀

• Daniel Waas,
• Florian Rückerl,
• Martin Knupfer and
• Bernd Büchner

Beilstein J. Nanotechnol. 2017, 8, 927–932, doi:10.3762/bjnano.8.94

• energy shift towards lower binding energies of 1.87 eV (He Iβ) and 2.52 eV (He Iγ), respectively. To obtain the correct secondary-electron cutoff a sample bias of −5 eV was applied. The total energy resolution of the spectrometer was 0.35 eV for XPS and 0.15 eV for the UPS measurements. For our

Triptycene-terminated thiolate and selenolate monolayers on Au(111)

• Jinxuan Liu,
• Martin Kind,
• Björn Schüpbach,
• Daniel Käfer,
• Stefanie Winkler,
• Wenhua Zhang,
• Andreas Terfort and
• Christof Wöll

Beilstein J. Nanotechnol. 2017, 8, 892–905, doi:10.3762/bjnano.8.91

• instrumentation, C 1s signals could be detected in a straightforward fashion. The obtained C 1s binding energies of about 284 to 285 eV (Table 2, see below) are typical of carbon atoms in aliphatic and aromatic compounds, i.e., the XPS data are in line with the IR data, confirming the formation of triptycene

• the triptycene-based SAMs should be addressed. For the triptycene-based SAMs, Table 4 lists temperatures and activation energies of desorption. Note that the latter can serve as upper limits of thermodynamic binding energies. Interestingly, both the nature of the anchor group and the methylene spacer

• , indicating a monolayer with only one adsorption site (or adsorption sites with equal binding energies), and a low defect density. Comparison to the Trp1Se SAM reveals an important difference: Here the appearance of Trp1Se+ fragments points to an additional desorption channel with cleavage of the gold

Investigation of growth dynamics of carbon nanotubes

• Marianna V. Kharlamova

Beilstein J. Nanotechnol. 2017, 8, 826–856, doi:10.3762/bjnano.8.85

• samples annealed at temperatures between 250 and 1200 °C for 2 h [145]. The spectrum of the NiCp2-filled SWCNTs includes two peaks positioned at binding energies of 854.53 and 871.80 eV, which belong to the Ni 2p3/2 and Ni 2p1/2 edges, respectively. The Ni 2p spectra of the samples annealed at 250–340 °C

Dispersion of single-wall carbon nanotubes with supramolecular Congo red – properties of the complexes and mechanism of the interaction

• Anna Jagusiak,
• Barbara Piekarska,
• Tomasz Pańczyk,
• Małgorzata Jemioła-Rzemińska,
• Elżbieta Bielańska,
• Barbara Stopa,
• Grzegorz Zemanek,
• Janina Rybarska,
• Irena Roterman and
• Leszek Konieczny

Beilstein J. Nanotechnol. 2017, 8, 636–648, doi:10.3762/bjnano.8.68

• density affect the structure and stability of SWNT–CR conjugates at various pH conditions. The results show that CR binds strongly to the SWNT surface and the SWNT–CR conjugates are thermodynamically stable and that pH changes significantly affect the binding energies of the adsorbed CR. Here we present

Impact of air exposure and annealing on the chemical and electronic properties of the surface of SnO₂ nanolayers deposited by rheotaxial growth and vacuum oxidation

• Monika Kwoka and
• Maciej Krzywiecki

Beilstein J. Nanotechnol. 2017, 8, 514–521, doi:10.3762/bjnano.8.55

• air. SnO and SnO2 have similar binding energies in the Sn 3d region. However, an additional discrimination of the oxidation levels can be carried out using the XPS valence band spectrum and the Auger alpha parameter, which is based on the Auger MNN transition [31]. The shift of the Sn MNN transitions

• valence states originating from the mixing of the O 2p and Sn 5s orbitals [35][36]. The consequence is a shift of the valence band (VB) edge toward higher binding energies as shown in Figure 4b, which means an increase of the energy distance EF − EV assuming a common Fermi level of the analyzer and the

Study of the surface properties of ZnO nanocolumns used for thin-film solar cells

• Neda Neykova,
• Jiri Stuchlik,
• Karel Hruska,
• Ales Poruba,
• Zdenek Remes and
• Ognen Pop-Georgievski

Beilstein J. Nanotechnol. 2017, 8, 446–451, doi:10.3762/bjnano.8.48

• fabrication processes, shift the position of the Zn 2p peaks by 0.3–0.4 eV toward higher binding energies and significantly broaden their width, irrespectively of the exposure time. While the full width at half maximum (FWHM) of the pristine nanocolumns is about 1.8 eV, the FWHM of H- and O-plasma treated ZnO

Methods for preparing polymer-decorated single exchange-biased magnetic nanoparticles for application in flexible polymer-based films

• Laurence Ourry,
• Delphine Toulemon,
• Souad Ammar and
• Fayna Mammeri

Beilstein J. Nanotechnol. 2017, 8, 408–417, doi:10.3762/bjnano.8.43

• entry airlock (2 × 10−7 mbar). The Avantage software package was used for data acquisition and processing. The C 1s line of 285 eV was used as the reference to correct the binding energies. Scanning electron microscopy (SEM) and transmission electron microscopy (TEM) were performed on Supra40 ZEISS FEG

Nitrogen-doped twisted graphene grown on copper by atmospheric pressure CVD from a decane precursor

• Ivan V. Komissarov,
• Nikolai G. Kovalchuk,
• Vladimir A. Labunov,
• Ksenia V. Girel,
• Olga V. Korolik,
• Mikhail S. Tivanov,
• Algirdas Lazauskas,
• Mindaugas Andrulevičius,
• Tomas Tamulevičius,
• Viktoras Grigaliūnas,
• Šarunas Meškinis,
• Sigitas Tamulevičius and
• Serghej L. Prischepa

Beilstein J. Nanotechnol. 2017, 8, 145–158, doi:10.3762/bjnano.8.15

• of the difference in ionic radii [16]. The radicals resulting from the decomposition of n-decane could lead to the decomposition of the nitrogen molecule, which in fact has one of the strongest binding energies. The resulting atomic nitrogen can be embedded into the graphene lattice. The n-decane was

Fundamental properties of high-quality carbon nanofoam: from low to high density

• Natalie Frese,
• Shelby Taylor Mitchell,
• Christof Neumann,
• Amanda Bowers,
• Armin Gölzhäuser and
• Klaus Sattler

Beilstein J. Nanotechnol. 2016, 7, 2065–2073, doi:10.3762/bjnano.7.197

• these foams. XPS In Figure 3, the XPS spectra of low- and high-density carbon nanofoams are shown. The deconvolution of the C1s peaks leads to the C1 and C2 peaks which are assigned to sp2- and sp3-type carbons, corresponding to electron binding energies of 284.4 and 285.4 eV, respectively [54]. An

• distribution is close to that of the distribution for sp2-type carbon with a small asymmetry toward higher binding energies. The distribution is quite narrow with a FWHM of about 2 eV. When deconvoluted, we find the areas of 64% and 30% for sp2 and sp3 components, respectively. The distribution in Figure 3c

Effect of Anderson localization on light emission from gold nanoparticle aggregates

• Mohamed H. Abdellatif,
• Marco Salerno,
• Gaser N. Abdelrasoul,
• Ioannis Liakos,
• Alice Scarpellini,
• Sergio Marras and
• Alberto Diaspro

Beilstein J. Nanotechnol. 2016, 7, 2013–2022, doi:10.3762/bjnano.7.192

• the XPS spectra of AuNPs drop-cast on glass and quartz substrates are shown. The values of the binding energy are also reported. The data shows that the surface state of the AuNPs is different between the two systems of AuNPs/quartz and AuNPs/glass. The binding energies are higher on quartz, with a

Monolayer graphene/SiC Schottky barrier diodes with improved barrier height uniformity as a sensing platform for the detection of heavy metals

• Ivan Shtepliuk,
• Jens Eriksson,
• Volodymyr Khranovskyy,
• Tihomir Iakimov,
• Anita Lloyd Spetz and
• Rositsa Yakimova

Beilstein J. Nanotechnol. 2016, 7, 1800–1814, doi:10.3762/bjnano.7.173

• heavy metal atom or ion and n is the total number of interacting heavy metal atoms or ions. To avoid the basis set superposition error (BSSE), the binding energies were calculated by means of counterpoise method [55]. The most important parameter that was extracted from our calculation, the work

• involving heavy metals on graphene can be elucidated. Figure 6 and Figure 7 show the dependences of the binding energies of heavy metal atoms adsorbed on graphene on the number of atoms. The binding energies of isolated neutral Cd and Hg atoms on the graphene flake are 175 meV and 167 meV, respectively, but

• heavy metals. (a) Dependence of the binding energies of Cd and Hg on the number of heavy metal atoms on graphene flake. (b) Dependence of the HOMO–LUMO gap of graphene clusters interacting with Cd and Hg on the number of heavy metal atoms. Dependence of the binding energy and HOMO-LUMO gap on number of

Microwave synthesis of high-quality and uniform 4 nm ZnFe₂O₄ nanocrystals for application in energy storage and nanomagnetics

• Christian Suchomski,
• Ben Breitung,
• Ralf Witte,
• Michael Knapp,
• Sondes Bauer,
• Tilo Baumbach,
• Christian Reitz and
• Torsten Brezesinski

Beilstein J. Nanotechnol. 2016, 7, 1350–1360, doi:10.3762/bjnano.7.126

• Fe in the Fe(III) state [33][34]. The apparent asymmetry of the Fe 2p peaks suggests that the inversion parameter must be greater than zero. The main peaks at binding energies of (724.59 ± 0.05) eV and (710.65 ± 0.05) eV for the 2p1/2 and 2p3/2 orbital lines, respectively, correspond to octahedral

• deconvolution of the O 1s spectrum identified three different oxygen bonding states. The main peak at (529.60 ± 0.05) eV corresponds to lattice oxygen and the minor peaks at higher binding energies of (531.11 ± 0.05) eV and (532.07 ± 0.05) eV can be assigned to hydroxyl oxygen/oxygen from C–O and C=O

• functionalities, respectively, with the latter originating from surface ligands. The C 1s spectrum can also be fitted into three peaks at (284.56 ± 0.05) eV, (286.06 ± 0.05) eV and (288.49 ± 0.05) eV. We ascribe the main peak centered at 284.6 eV to sp3-hybridized carbon (C–C); the minor peaks at higher binding

Experimental and simulation-based investigation of He, Ne and Ar irradiation of polymers for ion microscopy

• Lukasz Rzeznik,
• Yves Fleming,
• Tom Wirtz and
• Patrick Philipp

Beilstein J. Nanotechnol. 2016, 7, 1113–1128, doi:10.3762/bjnano.7.104

• surface and which contributes to sputtering. The relation between the partial sputter yields of the different species is determined by the surface binding energies and the atomic number. F has the smallest surface binding energy (0.82eV), followed by H (1.00 eV), O (2.58 eV), C in sp3 configuration (5.00

Efficient electron-induced removal of oxalate ions and formation of copper nanoparticles from copper(II) oxalate precursor layers

• Kai Rückriem,
• Sarah Grotheer,
• Henning Vieker,
• Paul Penner,
• André Beyer,
• Armin Gölzhäuser and
• Petra Swiderek

Beilstein J. Nanotechnol. 2016, 7, 852–861, doi:10.3762/bjnano.7.77

• copper signals have changed significantly. The shake-up peaks have disappeared, indicating a reduction of the copper(II) precursor [36][38], while the remaining signals shift to higher binding energies. The new value of the 2p3/2 peak agrees well with literature data for metallic copper [38] and copper

• . Formation of copper oxides is excluded from the lack of additional signals at lower binding energies (see literature values in Table 1). We thus conclude that most of the copper(II) oxalate is reduced to metallic particles during the applied electron exposure of 16000 μC/cm2 at 50 eV. We note, however, that

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

• reliable description of both water–water and water–metal interactions [32][46][50]. The binding energies per water molecule of water structures on Pb(111) with coverages of 1/3 and 2/3 are increased by less than 70 meV upon including dispersion, in particular, the energetic ordering is not changed, as

• ice-like layers on Pb(111) and Ag(111), Eads, are compared to the binding energies of the free-standing water layers in the corresponding adsorption geometry, . First of all, it is obvious that the adsorption of the ice-like layer is much stronger on Ag(111) than on Pb(111). Also the binding energy

• -correlation function. Calculated adsorption energies of water layers at a coverage of 2/3 on Pb(111) and Ag(111) compared to the binding energies of free-standing water layers in the corresponding adsorption geometries.

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

• explored in several STM studies [81][84][85] and these are still being actively studied [82][86][87]. Although the S 2p binding energies for bulk copper sulfide are known, with a rare exception [83], there was previously not much information on CLBEs for sub-monolayer chemisorbed phases. A detailed

• -defined √7 phase exists. A comparison with the thiol spectrum in Figure 3a then suggests that if this is really the underlying sulfide layer, the thiolate component lies at lower binding energies. To explore this further, the √7 phase PdS surface was first prepared and then exposed to C12T. The result was

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

• considered for each of methylthiol and methylthiolate. Additional calculations were performed for low-coordinated binding sites, to ensure proper sampling of the configurational space. The most stable equilibrated configurations, their binding energies and bond lengths for the different binding sites are

• , from Liu et al. [77]. The addition of the dispersion correction enhanced non-dissociative binding energies in MeSH by 0.2 to 0.7 eV, and moderately increased chemisorption energies (MeS) by 0.2 to 0.5 eV. Non-dissociative adsorption. The binding energy in non-dissociative adsorption was calculated as

• energy was evaluated. EBSSE is a negative value. Applying the CP correction to the binding energy, one gets Dissociative adsorption. Calculated binding energies for the dissociative adsorption took into account the release of hydrogen as H2: BSSE corrections were not calculated for the dissociative

Self-organization of gold nanoparticles on silanated surfaces

• Htet H. Kyaw,
• Salim H. Al-Harthi,
• Azzouz Sellai and
• Joydeep Dutta

Beilstein J. Nanotechnol. 2015, 6, 2345–2353, doi:10.3762/bjnano.6.242

• peak (λmax) intensity on glass surface is observed at 7.4 eV. Upon APTES deposition, λmax is shifted to lower binding energies of ca. 6.3 eV, which can be attributed to the propyl chains (propyl 1) and a peak observed at 10.6 eV can be assigned to the propyl chain (propyl 2) of the APTES molecule [24

• observed related to the orientation of APTES molecules on glass substrates (see Figure 2) that altered due to the attachment of AuNPs on the substrates. A broad band was observed at binding energies between 2 and 8 eV, which can be assigned to Au 5d band as the spin–orbit splitting of Au 5d3/2 and Au 5d5/2

• measurements were conducted in ultrahigh high vacuum conditions of 2 × 10−10 mbar. In order to reduce surface charging effects, all the measured samples were flooded with electrons for charge compensation during the XPS measurements. The binding energies were calibrated with respect to adventitious C 1s

Plasma fluorination of vertically aligned carbon nanotubes: functionalization and thermal stability

• Claudia Struzzi,
• Mattia Scardamaglia,
• Axel Hemberg,
• Luca Petaccia,
• Jean-François Colomer,
• Rony Snyders and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2015, 6, 2263–2271, doi:10.3762/bjnano.6.232

• binding energies higher than 285 eV. The deconvolution of the carbon peak is complex due to the uncertain assignment of fitting components; however, a satisfactory example is reported in Supporting Information File 1 for the as-functionalized sample (Supporting Information File 1, Figure S1). The analysis

• to reproduce the C 1s peak, the degree of asymmetry of F 1s and O 1s decreased drastically upon heating. This suggests a different desorption temperature and hence distinct binding energies of the several species grafted on the carbon surface, as it will be discussed. After heating the sample to 150

• atoms when the fluorine quantity is high, changing the chemical environment and consequently modifying the screening of the atoms. In parallel to desorption of fluorinated species, the oxygen components backshift towards the binding energies observed for the pristine sample, indicating the coexistence

Core-level spectra and molecular deformation in adsorption: V-shaped pentacene on Al(001)

• Anu Baby,
• He Lin,
• Gian Paolo Brivio,
• Luca Floreano and
• Guido Fratesi

Beilstein J. Nanotechnol. 2015, 6, 2242–2251, doi:10.3762/bjnano.6.230

• adsorbed at T and B sites. Calculated initial state-binding energies are indicated as vertical bars with height proportional to the multiplicity of the non-equivalent carbon atoms (see Figure 1). These vertical bars when broadened (here with pseudo-Voigt profiles having 0.52 eV Lorentzian and 0.36 eV

• the core hole, which is at the same distance in all cases determining, a net electron transfer, which may induce changes in the CLS. This effect can be estimated by performing additional simulations for the free undistorted molecule to calculate the shifts in binding energies as a function of a given

• and increases that of C1 in agreement with a reduction in the difference between their core level binding energies thereby determining a narrower spectrum for B site adsorption as seen in Figure 4c and compensating the effects of electron transfer. NEXAFS We wish now to relate the simulated NEXAFS

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

• pairs, which are separated in the SCR. The voltage dependence of the polaron pair generation as well as the bias dependent drop of EB can both give rise to a rate r > 1. For PCMO, exciton binding energies can be neglected because of the high dielectric constant of ε = 30 [63]. By lowering the

Electrical characterization of single molecule and Langmuir–Blodgett monomolecular films of a pyridine-terminated oligo(phenylene-ethynylene) derivative

• Henrry M. Osorio,
• Santiago Martín,
• María Carmen López,
• Santiago Marqués-González,
• Simon J. Higgins,
• Richard J. Nichols,
• Paul J. Low and
• Pilar Cea

Beilstein J. Nanotechnol. 2015, 6, 1145–1157, doi:10.3762/bjnano.6.116

• groups [67][68][69] and fullerenes [60][70][71]. However, many of these groups have significant limitations including chemical degradation at working temperatures [72][73], associated polymerization phenomena [74], small binding energies [74], unexpectedly high contact resistance [75][76][77][78][79][80

• plane. To provide a precise energy calibration, the XPS binding energies were referenced to the C 1s peak at 284.6 eV. The thickness of LB films on the gold substrates was estimated using the attenuation of the Au 4f signal from the substrate according to ILB film = Isubstrate exp(−d/λsinθ), where d is

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

• are summarized in Figure 2. We indeed find strong interaction between the PPV and both nanotubes with binding energies of 1.21 eV and 0.94 eV for the (4,4) and (7,0) tubes respectively. Figure 2c–f show band structures for the tube segments with and without the PPV. The metallic (4,4) tube is almost