Trapping polysulfide on two-dimensional molybdenum disulfide for Li–S batteries through phase selection with optimized binding

• Sha Dong,
• Xiaoli Sun and
• Zhiguo Wang

Beilstein J. Nanotechnol. 2019, 10, 774–780, doi:10.3762/bjnano.10.77

• '-MoS2 monolayer are lower in energy than the orbital of 2H-MoS2, thus leading to a stronger binding. Both 2H-MoS2 and 1T'-MoS2 monolayers show less trapping of S8 with a binding energy of 0.04 eV. The binding energies of Li2Sx on borophene are in the range from −1.00 to −3.00 eV [15] and on Ni-doped

• between the monolayer and the puckered ring structure S8, which is consistent with the corresponding small binding energies. The working mechanism of Li–S batteries includes the following steps, octasulfur is reduced to long chains of LPSs, Li2Sx (6 < x ≤ 8), and further to lower-order LPSs, Li2Sx (2 < x

• of Li–S batteries [7][8]. An ideal anchoring material with binding energies with LPSs in the range from 0.8 to 2.0 eV [15], and with good electrical and ionic conductivity is desirable for improving the electrochemical performance of Li–S batteries. Although the 2H-MoS2 monolayer shows good Li

The effect of translation on the binding energy for transition-metal porphyrines adsorbed on Ag(111) surface

• Luiza Buimaga-Iarinca and
• Cristian Morari

Beilstein J. Nanotechnol. 2019, 10, 706–717, doi:10.3762/bjnano.10.70

• (larger for nitrogen, intermediate for carbon and minimal for hydrogen). The results for the binding energies of TMPP and silver are summarized in Figure 2. Due to symmetry considerations, the four points investigated by us will cover most of the unit cell of the Ag(111) surface (see the right panel of

• in the paragraph above). Indeed, the two systems display the strongest binding energies among all systems. For all systems we found that the bridge configuration is the most stable. However, the maximum difference between the total energies of different configurations is around 0.25 eV, which is a

• relatively small values, close to the accuracy of DFT. The ordering of the binding energies is (from highest to lowest): VPP, MnPP, CoPP, NiPP, FePP and CrPP (the last two have identical binding energies). These close values may explain the complex geometries that were found in the experimental studies. For

Reduced graphene oxide supported C₃N₄ nanoflakes and quantum dots as metal-free catalysts for visible light assisted CO₂ reduction

• Md Rakibuddin and
• Haekyoung Kim

Beilstein J. Nanotechnol. 2019, 10, 448–458, doi:10.3762/bjnano.10.44

• impurity elements are found (Figure 3a). Figure 3b shows the fit to the C 1s peak of the GCN-5 hybrid. The fitting of the C 1s spectrum shows four major deconvoluted peaks related to the carbon states of rGO and g-C3N4. The sharp peaks at binding energies of 285.04, 287.03, 288.52, and 289.6 eV observed in

• the C 1s spectrum correspond to C–C bonds in rGO, N–C=N/C–O bonds in g-C3N4 and rGO, and C=O and O−C=O bonds in rGO, respectively [33][34]. The core-level N 1s profile shows (Figure 3c) three deconvoluted peaks at binding energies of 398.8, 400.6, and 401.8 eV, which are attributed to the sp2

• the breaking of most C–N bonds due to formation of NFs and QDs. Figure 3d shows a high-resolution XPS spectrum of O 1s present in the GCN-5 hybrid. The peaks at binding energies of 531.7 and 532.8 eV are attributed to carbonyl and epoxy C–O groups of rGO, respectively, which are still present in the

Nanoporous water oxidation electrodes with a low loading of laser-deposited Ru/C exhibit enhanced corrosion stability

• Sandra Haschke,
• Dmitrii Pankin,
• Vladimir Mikhailovskii,
• Maïssa K. S. Barr,
• Adriana Both-Engel,
• Alina Manshina and
• Julien Bachmann

Beilstein J. Nanotechnol. 2019, 10, 157–167, doi:10.3762/bjnano.10.15

• ), which are due to the Ru/C layer and adventitious carbon. Argon ion sputtering results in a reduced carbon content (observable in both the C 1s and O 1s regions), as well as in a shift of the Ru 3d doublet of peaks to lower binding energies (Figure 8b and Figure S4, Supporting Information File 1). Thus

Zn/F-doped tin oxide nanoparticles synthesized by laser pyrolysis: structural and optical properties

• Florian Dumitrache,
• Iuliana P. Morjan,
• Elena Dutu,
• Ion Morjan,
• Claudiu Teodor Fleaca,
• Monica Scarisoreanu,
• Alina Ilie,
• Marius Dumitru,
• Cristian Mihailescu,
• Adriana Smarandache and
• Gabriel Prodan

Beilstein J. Nanotechnol. 2019, 10, 9–21, doi:10.3762/bjnano.10.2

• ZTO0.44 sample and is directly dependent on the Zn/Sn vapor flow ratio. High-resolution XPS core level spectra of Sn3d, O1s, F1s and Zn2p were made for the highest Zn-doped sample (ZTO0.44) and the only the fluorine-doped sample (ZTOst). The binding energies were calibrated using the C1s peak at 284.4 eV

A novel polyhedral oligomeric silsesquioxane-modified layered double hydroxide: preparation, characterization and properties

• Xianwei Zhang,
• Zhongzhu Ma,
• Hong Fan,
• Carla Bittencourt,
• Jintao Wan and
• Philippe Dubois

Beilstein J. Nanotechnol. 2018, 9, 3053–3068, doi:10.3762/bjnano.9.284

• , these peaks in the brucite-like lattice show a small shift toward higher binding energies, probably arising from the interferences of OCPS intercalators. A similar phenomenon has been reported before in the case of carbon black nanoparticles modified Ni–Fe LDH [31]. XRD The XRD patterns of NLDH and OLDH

Ternary nanocomposites of reduced graphene oxide, polyaniline and hexaniobate: hierarchical architecture and high polaron formation

• Claudio H. B. Silva,
• Maria Iliut,
• Christopher Muryn,
• Christian Berger,
• Zachary Coldrick,
• Vera R. L. Constantino,
• Marcia L. A. Temperini and
• Aravind Vijayaraghavan

Beilstein J. Nanotechnol. 2018, 9, 2936–2946, doi:10.3762/bjnano.9.272

• level photoelectrons present slightly different binding energies depending on the environment of the carbon atoms. Figure 4 shows the high-resolution XPS spectra at the C 1s core level for GO and rGO samples prepared by reactions at 25 °C for 7 days and at 80 °C for 3 h (rGO-25 and rGO-80, respectively

• groups, since these groups induce different environments for the carbon atoms and, consequently, their corresponding C 1s photoelectrons present slightly different binding energies [34][39][40][42][43][44][45][46][47][48][49][50][51]. The comparison of the curve fitting for GO and rGO-25 shows the

Nanostructure-induced performance degradation of WO₃·nH₂O for energy conversion and storage devices

• Zhenyin Hai,
• Mohammad Karbalaei Akbari,
• Zihan Wei,
• Danfeng Cui,
• Chenyang Xue,
• Hongyan Xu,
• Philippe M. Heynderickx,
• Francis Verpoort and
• Serge Zhuiykov

Beilstein J. Nanotechnol. 2018, 9, 2845–2854, doi:10.3762/bjnano.9.265

• temperature, the lattice oxygen in the three as-synthesized samples shifts to lower binding energies from 530.8 eV over 530.6 eV to 520.3 eV. The area of the OH2O peaks indicates the structural difference between layered WO3·2H2O, layered WO3·H2O and 3D WO3. The decreasing area of OH2O peaks with higher

Controlling surface morphology and sensitivity of granular and porous silver films for surface-enhanced Raman scattering, SERS

• Sherif Okeil and
• Jörg J. Schneider

Beilstein J. Nanotechnol. 2018, 9, 2813–2831, doi:10.3762/bjnano.9.263

• shows that there is a slight broadening in the direction of lower binding energies for nitrogen plasma treated silver (Figure 4a and Figure S9a, Supporting Information File 1). Only for the nitrogen plasma treated silver film, a second small peak at 367.63 eV can be fitted besides the main peak at

Accurate control of the covalent functionalization of single-walled carbon nanotubes for the electro-enzymatically controlled oxidation of biomolecules

• Naoual Allali,
• Veronika Urbanova,
• Mathieu Etienne,
• Xavier Devaux,
• Martine Mallet,
• Brigitte Vigolo,
• Jean-Joseph Adjizian,
• Chris P. Ewels,
• Sven Oberg,
• Alexander V. Soldatov,
• Edward McRae,
• Yves Fort,
• Manuel Dossot and
• Victor Mamane

Beilstein J. Nanotechnol. 2018, 9, 2750–2762, doi:10.3762/bjnano.9.257

• essentially a surface-specific method. The clear Fe 2p signal obtained for functionalized samples and reported for instance in Figure S1B (Supporting Information File 1) for the HIPCO-FcETG2 sample arises exclusively from the grafted groups. The binding energies of the Fe 2p components were always at 720.4 eV

• . Three-step covalent functionalization of HIPCO SWCNTs using different acidic conditions for step 1. Ferrocene derivatives (FcAlkyl and FcETGn) with different linkers. Detailed C 1s spectra of A) raw HIPCO and B) HIPCO-HNO3-FcETG8. The binding energies of the Fe 2p components were always at 720.4 eV and

Two-dimensional semiconductors pave the way towards dopant-based quantum computing

• José Carlos Abadillo-Uriel,
• Belita Koiller and
• María José Calderón

Beilstein J. Nanotechnol. 2018, 9, 2668–2673, doi:10.3762/bjnano.9.249

• binding energies of 51 transition-metal dichalcogenides. We follow the same approach here, taking a constant ε to estimate the binding energies. We adopt isotropic envelopes, simplifying the calculations while keeping the physical picture [37]. In this approximation, the 2D bound state of hydrogen is

• describe shallow states in semiconductors, thus the band gap energy of the considered material has to be much larger than the binding energies EB. In order to implement this condition, we consider the generally unknown dielectric constant as a free parameter and estimate its minimum value required for the

• small ε region is expanded. In general, in this yellow–orange–red region we find the first three materials in Table 1, and possibly silicene and germanene if their band gap energies were suitably enhanced. In order to estimate binding energies and Bohr radii, we assume ε ≈ 5 for the first three

Au–Si plasmonic platforms: synthesis, structure and FDTD simulations

• Anna Gapska,
• Marcin Łapiński,
• Paweł Syty,
• Wojciech Sadowski,
• Józef E. Sienkiewicz and
• Barbara Kościelska

Beilstein J. Nanotechnol. 2018, 9, 2599–2608, doi:10.3762/bjnano.9.241

• photoelectrons were excited by an Mg Kα X-ray source. The X-ray anode was operated at 15 keV and 300 W. An Omicron Argus hemispherical electron analyzer with a round aperture of 4 mm was used for analyzing the emitted photoelectrons. The binding energies were corrected using the background C 1s line (285.0 eV

• 4f7/2 and 4f5/2 excitations differs from the statistical ratio of 4:3 and the linewidths (FWHM) are not equal. The size of the clusters can also affect the symmetry of the Au 4f7/2 peak on the side of higher binding energies, and the asymmetry increases with decreasing cluster size. In our

Surface energy of nanoparticles – influence of particle size and structure

• Dieter Vollath,
• Franz Dieter Fischer and
• David Holec

Beilstein J. Nanotechnol. 2018, 9, 2265–2276, doi:10.3762/bjnano.9.211

• estimate the surface energy, the binding energy of the atoms with the least coordination number must be selected. Since this is, to some extent, a random process, the scatter of these binding energies gives an indication for the scattering of the result. These considerations led to a value of 1.51 ± 0.68 J

Intrinsic ultrasmall nanoscale silicon turns n-/p-type with SiO₂/Si₃N₄-coating

• Dirk König,
• Daniel Hiller,
• Noël Wilck,
• Birger Berghoff,
• Merlin Müller,
• Sangeeta Thakur,
• Giovanni Di Santo,
• Luca Petaccia,
• Joachim Mayer,
• Sean Smith and
• Joachim Knoch

Beilstein J. Nanotechnol. 2018, 9, 2255–2264, doi:10.3762/bjnano.9.210

• ) [14]. A high ionicity of bond (IOB) and strong negative electron affinity (X) of O result in a strong localization of Si-NC valence electrons. This localization corresponds to increased binding energies – the ICT shifts all MOs away from Evac. N is the only anionic element with a positive X [29] which

Metal-free catalysis based on nitrogen-doped carbon nanomaterials: a photoelectron spectroscopy point of view

• Mattia Scardamaglia and
• Carla Bittencourt

Beilstein J. Nanotechnol. 2018, 9, 2015–2031, doi:10.3762/bjnano.9.191

• the graphitic configuration at 400–401 eV [4][95][96]. At slightly higher binding energies with respect to graphitic N, the component was assigned to graphitic valley N [97], which means a graphitic configuration close to a vacancy or edge (N4 in Figure 6a). Nitrogen oxide is usually found at binding

• molecular oxygen, the N 1s core level spectrum changes its line shape. In particular, the side of higher binding energies (around 401 eV) is quenched. These changes indicate that graphitic nitrogen is involved in the observed mechanism. The adsorbed oxygen molecule is dissociated and the two O atoms

• energies higher than 402 eV [98]. Other C–N components, such as single bonds, N adatoms or Stone–Wales defects (three-fold coordinated N atoms comprised in two pairs of five-membered and seven-membered rings), may be found at the position corresponding to pyrrolic nitrogen. Hence, their precise

Defect formation in multiwalled carbon nanotubes under low-energy He and Ne ion irradiation

• Santhana Eswara,
• Jean-Nicolas Audinot,
• Brahime El Adib,
• Maël Guennou,
• Tom Wirtz and
• Patrick Philipp

Beilstein J. Nanotechnol. 2018, 9, 1951–1963, doi:10.3762/bjnano.9.186

• calculated using sbeRG = qRG∙EsRG + qC∙0.5∙(EsRG + EsC) and the surface binding energy for carbon is calculated using sbeC = qRG∙0.5∙(EsRG + EsC) + qC∙EsC∙sbeRG and sbeC are the surface binding energy of noble gas and carbon atoms in the target, EsRG and EsC are the atomic surface binding energies for the

Synthesis of a MnO₂/Fe₃O₄/diatomite nanocomposite as an efficient heterogeneous Fenton-like catalyst for methylene blue degradation

• Zishun Li,
• Xuekun Tang,
• Kun Liu,
• Jing Huang,
• Yueyang Xu,
• Qian Peng and
• Minlin Ao

Beilstein J. Nanotechnol. 2018, 9, 1940–1950, doi:10.3762/bjnano.9.185

•  6b–d. In Figure 6b, two peaks with binding energies of 710.8 and 724.1 eV are assigned to Fe 2p3/2 and Fe 2p1/2 peaks, which are mainly due to the FeO and Fe2O3; moreover, satellite peaks at 719.32 eV and 732.8 eV can be observed. These are the typical characteristics of the Fe3O4 structure [32]. The

• Mn 2p region (Figure 6c) exhibits two individual peaks at 653.9 and 642.2 eV, attributed to the Mn 2p1/2 and Mn 2p3/2 binding energies, respectively. As a result, the spin energy separation of Mn 2p peaks can be calculated as 11.7 eV, which is well in agreement with reports for MnO2 [33]. In Figure

Synthesis of rare-earth metal and rare-earth metal-fluoride nanoparticles in ionic liquids and propylene carbonate

• Marvin Siebels,
• Lukas Mai,
• Laura Schmolke,
• Kai Schütte,
• Juri Barthel,
• Junpei Yue,
• Jörg Thomas,
• Bernd M. Smarsly,
• Anjana Devi,
• Roland A. Fischer and
• Christoph Janiak

Beilstein J. Nanotechnol. 2018, 9, 1881–1894, doi:10.3762/bjnano.9.180

• not done, because matching of the F Kα1 binding energy against the Lα1 or Lβ1 binding energies for Eu, Gd and Er is not very accurate. The measured oxidation state 3+ of the rare-earth metals in the fluorides was corroborated by high-resolution X-ray photoelectron spectroscopy (HR-XPS) (Figure 4 and

• Figures S4c, S5c, S6d, Supporting Information File 1) through comparison to the reported binding energies of metal(III) fluorides/oxides, metal(0) and organic fluorine/oxygen (Table 2) [48][49]. The measured metal and fluorine XPS values are in good agreement with the values of metal(III) fluorides that

• are given in literature and thereby exclude the formation of metal(0) and the presence of organic fluoride (from residual IL). In addition, the formation of metal oxides can be excluded, since the measured binding energies of oxygen match very well with the literature values of organic oxygen [48][49

A visible-light-controlled platform for prolonged drug release based on Ag-doped TiO₂ nanotubes with a hydrophobic layer

• Caihong Liang,
• Jiang Wen and
• Xiaoming Liao

Beilstein J. Nanotechnol. 2018, 9, 1793–1801, doi:10.3762/bjnano.9.170

•  4b shows the Ag 3d doublets with binding energies of 368.1 eV and 374.1 eV, corresponding to Ag 3d5/2 and Ag 3d3/2, respectively. According to the literature [27][28], these peaks can be attributed to metallic silver (Ag0). Figure 4d and Figure 4h show the high-resolution XPS spectra of Ti 2p of Ag

Sulfur-, nitrogen- and platinum-doped titania thin films with high catalytic efficiency under visible-light illumination

• Boštjan Žener,
• Lev Matoh,
• Giorgio Carraro,
• Bojan Miljević and
• Romana Cerc Korošec

Beilstein J. Nanotechnol. 2018, 9, 1629–1640, doi:10.3762/bjnano.9.155

• panel), the S 2p XPS peaks located at 168.7 eV with a tailing at higher binding energies could be attributed to S(VI) species corresponding to the S(VI) cation in S=O and S–O bonds, occurring when Ti(IV) is interstitially replaced by sulfur atoms. In addition, no signal for anionic S species are

Computational exploration of two-dimensional silicon diarsenide and germanium arsenide for photovoltaic applications

• Sri Kasi Matta,
• Chunmei Zhang,
• Yalong Jiao,
• Anthony O'Mullane and
• Aijun Du

Beilstein J. Nanotechnol. 2018, 9, 1247–1253, doi:10.3762/bjnano.9.116

• exciton binding energies [43][44][45] are 0.25 and 0.14 eV for SiAs2 and GeAs2, respectively. Semiconductors with exciton energies in this range of a few hundred millielectronvolts are supposed to play a key role in photovoltaic applications [46]. Conclusion We have presented 2D monolayer compounds of

• . Additionally, the exciton binding energies are quite low and are comparable to quantum dot semiconductors. It might be possible that these semiconductors could be synthesized as quantum dots and studied in further detail. Band gap tuning appears also possible and could be used to tailor the compounds for

Electrostatic force spectroscopy revealing the degree of reduction of individual graphene oxide sheets

• Yue Shen,
• Ying Wang,
• Yuan Zhou,
• Chunxi Hai,
• Jun Hu and
• Yi Zhang

Beilstein J. Nanotechnol. 2018, 9, 1146–1155, doi:10.3762/bjnano.9.106

• corresponding descriptions are shown in Table 1. The deconvoluted peaks A–D in Figure 1a centered at the binding energies of 284.5, 285.5, 286.9, and 288.5 eV, respectively, correspond to C=C/C–C in aromatic rings, C–O (epoxy and alkoxy), C=O, and COOH groups, respectively [20]. After reduction (sample 5), the

Cyclodextrin inhibits zinc corrosion by destabilizing point defect formation in the oxide layer

• Abdulrahman Altin,
• Maciej Krzywiecki,
• Adnan Sarfraz,
• Cigdem Toparli,
• Claudius Laska,
• Philipp Kerger,
• Aleksandar Zeradjanin,
• Karl J. J. Mayrhofer,
• Michael Rohwerder and
• Andreas Erbe

Beilstein J. Nanotechnol. 2018, 9, 936–944, doi:10.3762/bjnano.9.86

• consequently present for the main core levels attributed to ZnO (Zn 3d, Zn 2p) and β-CD (C 1s). A common tendency is a shift of the levels towards the lower binding energies with decreasing depth. A similar trend was observed for the VB levels. From TOA = 70° to 45°, the onset of the VB shifted by ≈0.5 eV

• higher TOA probing deeper into the film, the defect contribution is suppressed by the dominating rest of the photoemission signal, while for low TOA probing surface regions, the defects are dominating. While the variation of binding energies comprises both chemical shift and changes in the local

Effect of annealing treatments on CeO₂ grown on TiN and Si substrates by atomic layer deposition

• Silvia Vangelista,
• Rossella Piagge,
• Satu Ek and
• Alessio Lamperti

Beilstein J. Nanotechnol. 2018, 9, 890–899, doi:10.3762/bjnano.9.83

• binding energies and relative peak areas of only “v” components for convenience. From the area of the different components of the Ce 3d spectrum (Table 2) we estimate the relative concentrations of Ce3+ and Ce4+ [25]. Similarly, considering the O 1s region, three components are identified and, from low to

Facile chemical routes to mesoporous silver substrates for SERS analysis

• Elina A. Tastekova,
• Alexander Y. Polyakov,
• Anastasia E. Goldt,
• Alexander V. Sidorov,
• Alexandra A. Oshmyanskaya,
• Irina V. Sukhorukova,
• Dmitry V. Shtansky,
• Wolgang Grünert and
• Anastasia V. Grigorieva

Beilstein J. Nanotechnol. 2018, 9, 880–889, doi:10.3762/bjnano.9.82

• valence state of the silver at the surface of the mp-Ag (Figure 1f) obtained in 1:10 Ag2O/NaBH4 molar ratio. The binding energies at 368.3(2) eV and 374.2(2) eV are related to Ag 3d5/2 and Ag 3d3/2 binding energies, respectively. According to the NIST database (CAS registry No 7440-22-4) these bands