Biomolecule-assisted synthesis of carbon nitride and sulfur-doped carbon nitride heterojunction nanosheets: An efficient heterojunction photocatalyst for photoelectrochemical applications

• Hua Bing Tao,
• Hong Bin Yang,
• Jiazang Chen,
• Jianwei Miao and
• Bin Liu

Beilstein J. Nanotechnol. 2014, 5, 770–777, doi:10.3762/bjnano.5.89

• diffraction (XRD) patterns were obtained on a Bruker D2 diffractometer (Bruker AXS, λ = 0.15418 nm). The chemical states and percentage of sulfur were measured by using X-ray photoelectron spectroscopy (XPS) on a VG Escalab 220i XL and the binding energies were calibrated by using the C 1s peak at 285.0 eV

Carbon dioxide hydrogenation to aromatic hydrocarbons by using an iron/iron oxide nanocatalyst

• Hongwang Wang,
• Jim Hodgson,
• Tej B. Shrestha,
• Prem S. Thapa,
• David Moore,
• Xiaorong Wu,
• Myles Ikenberry,
• Deryl L. Troyer,
• Donghai Wang,
• Keith L. Hohn and
• Stefan H. Bossmann

Beilstein J. Nanotechnol. 2014, 5, 760–769, doi:10.3762/bjnano.5.88

• carried out under vacuum (p < 5·10−9 Torr) and heated to 120 °C to remove any adsorbed molecules on the surface. The XPS binding energies were measured with a precision of 0.025 eV. The analyzer pass energy was set to 17.9 eV, the contact time was 50 ms, and the area scanned was 4 mm2. Conclusion We have

Resonance of graphene nanoribbons doped with nitrogen and boron: a molecular dynamics study

• Ye Wei,
• Haifei Zhan,
• Kang Xia,
• Wendong Zhang,
• Shengbo Sang and
• Yuantong Gu

Beilstein J. Nanotechnol. 2014, 5, 717–725, doi:10.3762/bjnano.5.84

• empirical bond order (REBO) potential [24] was employed, which gives a good representation for the binding energies and elastic properties of carbon nanotubes and graphene [25]. In general, the REBO potential is given as where, EREBO represents the short-distance C–C interaction, ELJ depicts a longer

CoPc and CoPcF₁₆ on gold: Site-specific charge-transfer processes

• Fotini Petraki,
• Heiko Peisert,
• Johannes Uihlein,
• Umut Aygül and
• Thomas Chassé

Beilstein J. Nanotechnol. 2014, 5, 524–531, doi:10.3762/bjnano.5.61

• , more bulk-like films. In addition, the shape of the spectrum changes for coverage in the monolayer range. In general, the shape of the Co 2p spectrum is determined by satellite features at higher binding energies arising from multiplet splitting due to the interaction of unpaired electrons in the

• the first few organic layers and can be understood by polarization screening [26]. Thus, a small shift (0.3–0.4 eV) toward lower binding energies might be expected for all core levels at the interface compared to the bulk value. The question therefore arises why an energetic shift of F 1s to lower

• binding energies at the interface to Au is hardly observable. Bidirectional charge transfer In order to understand the polarization and charge-transfer processes for the CoPcF16 macrocycle at the interface to poly-Au in more detail, we analyzed the energetic shifts of all core level lines of F 1s, N 1s

One-step synthesis of high quality kesterite Cu₂ZnSnS₄ nanocrystals – a hydrothermal approach

• Vincent Tiing Tiong,
• John Bell and
• Hongxia Wang

Beilstein J. Nanotechnol. 2014, 5, 438–446, doi:10.3762/bjnano.5.51

• ). The peaks of Sn 3d show binding energies at 486.35 and at 494.77 eV respectively, which is in good agreement with the value of Sn(IV). The S 2p peaks are located at 161.76 and 162.92 eV, which are consistent with the binding energy of sulfur in sulfide state of CZTS. These results are in agreement

Interaction of iron phthalocyanine with the graphene/Ni(111) system

• Lorenzo Massimi,
• Simone Lisi,
• Daniela Pacilè,
• Carlo Mariani and
• Maria Grazia Betti

Beilstein J. Nanotechnol. 2014, 5, 308–312, doi:10.3762/bjnano.5.34

• very close to the Fermi level. Furthermore, the Gr-π band is shifted by 2.5 eV towards higher binding energies as compared to Gr/Ir, and no linear dispersion is observed at the K point, which is in agreement with previous results [11]. Carbon atoms adsorb on two different sites on Ni(111), on top of Ni

3D-nanoarchitectured Pd/Ni catalysts prepared by atomic layer deposition for the electrooxidation of formic acid

• Loïc Assaud,
• Evans Monyoncho,
• Kristina Pitzschel,
• Anis Allagui,
• Matthieu Petit,
• Margrit Hanbücken,
• Elena A. Baranova and
• Lionel Santinacci

Beilstein J. Nanotechnol. 2014, 5, 162–172, doi:10.3762/bjnano.5.16

• transferring it to the XPS chamber. Note that a contribution coming from SiO2 in the XPS spectrum in the O 1s binding energies region is possible since an interfacial SiO2 layer is formed between Si and NiO (Figure S2, Supporting Information File 1). However, the contribution of Si in the survey spectrum is

Core level binding energies of functionalized and defective graphene

• Toma Susi,
• Markus Kaukonen,
• Paula Havu,
• Mathias P. Ljungberg,
• Paola Ayala and
• Esko I. Kauppinen

Beilstein J. Nanotechnol. 2014, 5, 121–132, doi:10.3762/bjnano.5.12

• calculated core level binding energies for variously functionalized or defected graphene by delta Kohn–Sham total energy differences in the real-space grid-based projector-augmented wave density functional theory code (GPAW). To accurately model extended systems, we applied periodic boundary conditions in

• large unit cells to avoid computational artifacts. In select cases, we compared the results to all-electron calculations using an ab initio molecular simulations (FHI-aims) code. We calculated the carbon and oxygen 1s core level binding energies for oxygen and hydrogen functionalities such as graphane

• . However, for low-dimensional carbon nanomaterials such as graphene or carbon nanotubes, the escape depth exceeds the size of the system, and this makes XPS in practice a convenient bulk characterization tool. In order to interpret the binding energies measured by XPS, a reference to which such energies

Study of mesoporous CdS-quantum-dot-sensitized TiO₂ films by using X-ray photoelectron spectroscopy and AFM

• Mohamed N. Ghazzal,
• Robert Wojcieszak,
• Gijo Raj and
• Eric M. Gaigneaux

Beilstein J. Nanotechnol. 2014, 5, 68–76, doi:10.3762/bjnano.5.6

• to oxidized forms of carbons, which are usually detected (286.2 eV (C–O); 287.8 eV (C=O, O–C–O) and 288.6 eV (COO) [18]. The Cd 3d5/2 and Cd 3d3/2 were found at 411.3 and 404.6 eV respectively for QDs−CdS/TiO2 and were attributed to Cd2+ in CdS [19]. The difference between the binding energies of Cd

Many-body effects in semiconducting single-wall silicon nanotubes

• Wei Wei and
• Timo Jacob

Beilstein J. Nanotechnol. 2014, 5, 19–25, doi:10.3762/bjnano.5.2

• SiNTs from 0.65, 0.28 and 0.05 eV at DFT level to 1.9, 1.22 and 0.79 eV at GW level. The Coulomb electron−hole (e−h) interactions significantly modify optical absorption properties obtained at noninteracting-particle level with the formation of bound excitons with considerable binding energies (of the

• order of 1 eV) assigned: the binding energies of the armchair (4,4), (6,6) and zigzag (10,0) SiNTs are 0.92, 1.1 and 0.6 eV, respectively. Results in this work are useful for understanding the physics and applications in silicon-based nanoscale device components. Keywords: Bethe–Salpeter equation

• screening leads to the formation of excitonic resonances or strongly bound excitons with considerable binding energies. Therefore, many-body effects [18][19][20][21][22][23][24][25][26][27][28][29][30][31] are required to understand this kind of systems sufficiently, especially their single-particle

Preparation of NiS/ZnIn₂S₄ as a superior photocatalyst for hydrogen evolution under visible light irradiation

• Liang Wei,
• Yongjuan Chen,
• Jialin Zhao and
• Zhaohui Li

Beilstein J. Nanotechnol. 2013, 4, 949–955, doi:10.3762/bjnano.4.107

• . All of the binding energies were referred to the C 1s peak at 284.8 eV of the surface adventitious carbon. UV–visible diffraction spectra (UV–vis DRS) of the powders were obtained for the dry pressed disk samples using a UV–visible spectrophotometer (Cary 500 Scan Spectrophotometers, Varian). BaSO4

STM tip-assisted engineering of molecular nanostructures: PTCDA islands on Ge(001):H surfaces

• Amir A. Ahmad Zebari,
• Marek Kolmer and
• Jakub S. Prauzner-Bechcicki

Beilstein J. Nanotechnol. 2013, 4, 927–932, doi:10.3762/bjnano.4.104

• layer is, the less strain it experiences [31]. Consequently, binding energies on the edges of lower lying layers are smaller than binding energies on the edges of higher lying layers. Therefore, molecules attached to the edges of lower lying layers prefer to ascend and attach to more favorable sites on

• higher laying layers. Due to the applied bias voltage pulses we created new edges on the top-most layer offering convenient adsorption sites with high binding energies. Thus, we expect that an ascending interlayer transport is responsible for the newly grown top-most layer. The presence of the scanning

Preparation of electrochemically active silicon nanotubes in highly ordered arrays

• Tobias Grünzel,
• Young Joo Lee,
• Karsten Kuepper and
• Julien Bachmann

Beilstein J. Nanotechnol. 2013, 4, 655–664, doi:10.3762/bjnano.4.73

• (Figure 6c), which within the range from 51 eV to 59 eV displays an absolute maximum at 55.6 eV. For reference, the binding energies [27] of metallic Li (54.7 eV), LiOH (54.9 eV), Li2CO3 (55.2 eV), and Li2O (55.6 eV) are indicated in Figure 6. Some contribution of Li2CO3 (due to aerobic CO2 capture

Catalytic activity of nanostructured Au: Scale effects versus bimetallic/bifunctional effects in low-temperature CO oxidation on nanoporous Au

• Lu-Cun Wang,
• Yi Zhong,
• Haijun Jin,
• Daniel Widmann,
• Jörg Weissmüller and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2013, 4, 111–128, doi:10.3762/bjnano.4.13

• for excitation. The binding energies of the Au(4f), Ag(3d) and Cu(2p) states were calibrated with respect to the C(1s) peak at 284.6 eV. The Au, Ag and Cu surface concentrations were calculated from the measured intensities of the Au(4f), Ag(3d) and Cu(2p) signals, respectively, by using tabulated

X-ray spectroscopy characterization of self-assembled monolayers of nitrile-substituted oligo(phenylene ethynylene)s with variable chain length

• Hicham Hamoudi,
• Ping Kao,
• Alexei Nefedov,
• David L. Allara and
• Michael Zharnikov

Beilstein J. Nanotechnol. 2012, 3, 12–24, doi:10.3762/bjnano.3.2

• difference in attenuation of this signal in different films. Due to the quite close binding energies of the Au 4f and S 2p emissions, both signals are attenuated similarly, although not absolutely equally, as far as the primary excitation is performed at high photon energy. The S2p/Au4f intensity ratios for

Towards a scalable and accurate quantum approach for describing vibrations of molecule–metal interfaces

• David M. Benoit,
• Bruno Madebene,
• Inga Ulusoy,
• Luis Mancera,
• Yohann Scribano and
• Sergey Chulkov

Beilstein J. Nanotechnol. 2011, 2, 427–447, doi:10.3762/bjnano.2.48

Intermolecular vs molecule–substrate interactions: A combined STM and theoretical study of supramolecular phases on graphene/Ru(0001)

• Michael Roos,
• Benedikt Uhl,
• Daniela Künzel,
• Harry E. Hoster,
• Axel Groß and
• R. Jürgen Behm

Beilstein J. Nanotechnol. 2011, 2, 365–373, doi:10.3762/bjnano.2.42

• of a “hill” site from that of a “valley” position. Table 1 and Table 2 show the differences between these sites for different force fields. Clearly, the calculated binding energies strongly depend on the force field used, as found before in force field calculations addressing 3,3'-BTP adsorption on

• graphite [38]. Nevertheless, although the absolute values may vary with the applied force field, the differences between binding energies at the two sites, reflecting the lateral corrugation of the potential energy of the substrate, are reasonably close, both for 3,3'-BTP and PTCDA. The corrugation of the

Extended X-ray absorption fine structure of bimetallic nanoparticles

• Carolin Antoniak

Beilstein J. Nanotechnol. 2011, 2, 237–251, doi:10.3762/bjnano.2.28

• on state-of-the-art X-ray absorption spectroscopy (XAS) on 3rd generation synchrotron sources such as the ESRF and BESSY II. In general, XAS deals with the excitation of core-level electrons, with their element-specific binding energies, by incident X-rays. After absorption of an X-ray photon, a core

Room temperature synthesis of indium tin oxide nanotubes with high precision wall thickness by electroless deposition

• Mario Boehme,
• Emanuel Ionescu,
• Ganhua Fu and
• Wolfgang Ensinger

Beilstein J. Nanotechnol. 2011, 2, 119–126, doi:10.3762/bjnano.2.14

• peak with its maximum at 533,0 eV is for the In-O(1s). Comparing the binding energies shown in Figure 4a–c with literature values [28][29], the composition of the fabricated nanotubes was consistent with the stoichiometry of the ITO. Conclusion Bilateral open cylindrical ITO-NTs with controllable