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

• apparent exchange current densities of cathodic and anodic partial reactions as a result of the modified oxide defect density. Furthermore, lower defect density makes vacancy coalescence as the first step of breakdown of an oxide, e.g., in pitting corrosion, less likely. Conclusion β-CD shows inhibition

A review of carbon-based and non-carbon-based catalyst supports for the selective catalytic reduction of nitric oxide

• Shahreen Binti Izwan Anthonysamy,
• Syahidah Binti Afandi,
• Mehrnoush Khavarian and
• Abdul Rahman Bin Mohamed

Beilstein J. Nanotechnol. 2018, 9, 740–761, doi:10.3762/bjnano.9.68

• catalytic activity than the Cu0.07/Ti catalyst prepared using the impregnation method. The CuO–TiO2 catalyst possessed more highly dispersed CuO species as well as many oxygen vacancy active sites, which enhanced the NO gas and made it easily attachable during the catalytic reaction. Similar to previous

• desorption peaks can be observed in CeO2/CNT-PT, signifying that the amount of NH3 adsorbed on the surface of CeO2/CNT-PT is greater than on CeO2/CNT-IM and CeO2/CNT-PM [80][81]. Meanwhile, the XPS analysis indicates that there was more oxygen surface vacancy in the CeO2/CNT-PT catalyst, thus, enhancing the

• oxidation process helped oxidised NO to NO2. This was due to the interaction present between the MnOx and CeOx species, resulting in more oxygen vacancy in the MnCe@CNTs-R catalyst. This rapidly enhanced the SCR reaction, making it faster. The NH3-TPD analysis shows that the MnCe@CNTs-R catalyst was not

Sensing behavior of flower-shaped MoS₂ nanoflakes: case study with methanol and xylene

• Maryam Barzegar,
• Masoud Berahman and
• Azam Iraji zad

Beilstein J. Nanotechnol. 2018, 9, 608–615, doi:10.3762/bjnano.9.57

• model. Then, a sulfur atom at the center of the model was removed and fully relaxed to study the sulfur vacancy. After that, the detection of xylene and methanol with these models were studied. Density functional theory in the local-density approximation with a Perdew–Zunger correlation function was

• electro-activity of MoS2 nanosheets. Furthermore, sulfur vacancies contribute significantly to the electronic properties of MoS2 [36][37]. Hence, such sulfur vacancy is desirable for the gas sensing properties of MoS2. To study the application of the flower-shaped MoS2 for gas sensing, the Brunauer–Emmett

• differences, we performed a simulation study on the pristine monolayer and similar surface with sulfur vacancy of MoS2 in the presence of xylene and methanol molecules. Xylene shows almost no interaction with pristine MoS2 while a van der Waals interaction happens in the case of sulfur vacancy, which leads to

L-Lysine-grafted graphene oxide as an effective adsorbent for the removal of methylene blue and metal ions

• Yan Yan,
• Jie Li,
• Fangbei Kong,
• Kuankuan Jia,
• Shiyu He and
• Baorong Wang

Beilstein J. Nanotechnol. 2017, 8, 2680–2688, doi:10.3762/bjnano.8.268

• functionalized graphene materials cannot meet practical needs in treating environmental pollutants because of high cost and low performance. Hence, the adsorption performance of graphene-based materials still needs to be improved and the cost lowered. Some reports showed that oxygen functional groups, vacancy

• -GO may have more vacancy defects and functional groups by the chemical modification, which may lead to an enhanced performance in the adsorption of pollutants. Effect of the pH value on the adsorption of MB and Cu2+ In order to identify the adsorption capability of Lys-GO for MB and metal ions, a

• because more functional groups are available. 2) Strong π–π interactions and vacancy defects are good for enhancing the adsorption capacity of graphene materials. These results indicated that Lys-GO material has great potential application in treating wastewater. Conclusion A novel amino acid–graphene

Laser-assisted fabrication of gold nanoparticle-composed structures embedded in borosilicate glass

• Nikolay Nedyalkov,
• Mihaela Koleva,
• Nadya Stankova,
• Rosen Nikov,
• Mitsuhiro Terakawa,
• Yasutaka Nakajima,
• Lyubomir Aleksandrov and
• Reni Iordanova

Beilstein J. Nanotechnol. 2017, 8, 2454–2463, doi:10.3762/bjnano.8.244

• types of defects: an unpaired electron in the sp3 orbital of a single silicon atom with an oxygen vacancy, and a hole trapped in an oxygen vacancy. The defects that absorb in the visible spectral range are related to nonbridging oxygen hole centers. Since the glass samples used in this study contain

Fabrication of CeO₂–MO_x (M = Cu, Co, Ni) composite yolk–shell nanospheres with enhanced catalytic properties for CO oxidation

• Ling Liu,
• Jingjing Shi,
• Hongxia Cao,
• Ruiyu Wang and
• Ziwu Liu

Beilstein J. Nanotechnol. 2017, 8, 2425–2437, doi:10.3762/bjnano.8.241

• ], including high surface area, preferential exposure of reactive facets and oxygen vacancy defects. However, pure CeO2 deactivates seriously at an elevated temperature due to the decline of surface area and OSC. In order to maintain the OSC and enhance the catalytic activity and thermal stability of CeO2

• –□vac + 1/2 O2 → [CO–M–O–Ce–O]* → CO2 (g) + M–[O]–Ce–□vac, where M–[O]–Ce denotes a metal species incorporated into CeO2, and □vac denotes an oxygen vacancy [39]. Essentially, the interaction between CeO2 and MOx is due to the lengthening and weakening of the M–O bond by sharing oxygen at the interface

Three-in-one approach towards efficient organic dye-sensitized solar cells: aggregation suppression, panchromatic absorption and resonance energy transfer

• Jayita Patwari,
• Samim Sardar,
• Bo Liu,
• Peter Lemmens and
• Samir Kumar Pal

Beilstein J. Nanotechnol. 2017, 8, 1705–1713, doi:10.3762/bjnano.8.171

• verified by the sequential one-by-one sensitization of the two dyes where the first layer of the dye is supposed to be acting as the main electron-injecting sensitizer and the second dye layer will prefer to form some π-stacking attachment with the first dye layer as it would not get much vacancy on the

Uptake and intracellular accumulation of diamond nanoparticles – a metabolic and cytotoxic study

• Antonín Brož,
• Lucie Bačáková,
• Pavla Štenclová,
• Alexander Kromka and
• Štěpán Potocký

Beilstein J. Nanotechnol. 2017, 8, 1649–1657, doi:10.3762/bjnano.8.165

• characteristics were selected: non-luminescent HPHT NDs of two diameters as described in the previous section (MR-18 and MR-50), HPHT NDs with photoluminescent nitrogen-vacancy (N-V) centers (AR-40), and detonation NDs with hydrogen termination (NR-5, as-received) and with oxygen termination (NA-5, annealed

Spin-chemistry concepts for spintronics scientists

• Konstantin L. Ivanov,
• Alexander Wagenpfahl,
• Carsten Deibel and
• Jörg Matysik

Beilstein J. Nanotechnol. 2017, 8, 1427–1445, doi:10.3762/bjnano.8.143

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

• adsorption energy on the Au(111) surface that is 1.6 eV higher than that of C60 molecules. This increased binding energy arises from the saturation by the Au surface of the bonds around the molecular vacancy defect. We therefore interpret the observed features as adsorbed fullerene-derived molecules with C

• electronic-structure calculations based on DFT, focusing on fullerene molecules with vacancy defects where the missing C atoms result in increased reactivity and stronger binding with the substrate. We consider C59 molecules, resulting from the removal of a single C atom. While high-energy collisions can

• structural isomers (Figure 3), depending on how the fullerene vacancy is healed. In the first isomer, the atoms surrounding the vacancy rearrange to form two rings, one consisting of four atoms, and the other of nine atoms. In the other one, the C atoms around the vacancy assemble into a ring of eight atoms

High photocatalytic activity of Fe₂O₃/TiO₂ nanocomposites prepared by photodeposition for degradation of 2,4-dichlorophenoxyacetic acid

• Shu Chin Lee,
• Hendrik O. Lintang and
• Leny Yuliati

Beilstein J. Nanotechnol. 2017, 8, 915–926, doi:10.3762/bjnano.8.93

• Figure 6. TiO2 exhibited three emission peaks at 407, 466 and 562 nm. The emission at 407 nm could be caused by the radiative recombination of self-trapped excitons, while peaks at 466 and 562 nm were attributed to the charge transfer of an oxygen vacancy trapped electron. The obtained results agreed

Graphene functionalised by laser-ablated V₂O₅ for a highly sensitive NH₃ sensor

• Margus Kodu,
• Artjom Berholts,
• Tauno Kahro,
• Mati Kook,
• Peeter Ritslaid,
• Helina Seemen,
• Tea Avarmaa,
• Harry Alles and
• Raivo Jaaniso

Beilstein J. Nanotechnol. 2017, 8, 571–578, doi:10.3762/bjnano.8.61

• observed as the result of the reaction of NH3 with two V2O5 adsorption sites, one with a surface OH group, forming positively charged NH4+, and the other with oxygen vacancy, forming species denoted as “coordinated NH3”. At the same time, the intensity of the V5+=O related band in the infrared reflectance

Diffusion and surface alloying of gradient nanostructured metals

• Zhenbo Wang and
• Ke Lu

Beilstein J. Nanotechnol. 2017, 8, 547–560, doi:10.3762/bjnano.8.59

• compared to conventional GBs has been demonstrated by the transformation of partial to complete GB wetting in Sn–Pb alloys during continuous strain by Straumal et al. [25]. However, this notion was confused by two works in the SPD Cu and Cu–Pb alloy [26][27], in which various defects such as vacancy

• GNS layers are associated with a higher stored energy and/or with a higher density of defects compared to the GBs in conventional CG counterparts. According to the vacancy mechanism of GB diffusion [43][44], they may facilitate diffusion by decreasing the vacancy formation energy. For example, the

Laser irradiation in water for the novel, scalable synthesis of black TiO_x photocatalyst for environmental remediation

• Massimo Zimbone,
• Giuseppe Cacciato,
• Mohamed Boutinguiza,
• Vittorio Privitera and
• Maria Grazia Grimaldi

Beilstein J. Nanotechnol. 2017, 8, 196–202, doi:10.3762/bjnano.8.21

• Figure 5. The measured absorbance is higher than 90% in the range from 0.35 to 5 eV (from 3.5 to 0.25 µm in wavelength). The high absorption and black coloration is ascribed to reduced oxidation states of Ti (electrons in the Ti 3d states) and to the presence of H in association with an oxygen vacancy

Annealing-induced recovery of indents in thin Au(Fe) bilayer films

• Anna Kosinova,
• Ruth Schwaiger,
• Leonid Klinger and
• Eugen Rabkin

Beilstein J. Nanotechnol. 2016, 7, 2088–2099, doi:10.3762/bjnano.7.199

• dislocation loops is non-conservative, it generates a flux of excess vacancies. The vacancies can reach the film-substrate interface and the nearby grain boundary, which both can serve as vacancy sinks. The annihilation of vacancies at the film-substrate interface leads to the slight decrease of the film

• region (see Figure 6) confirms that the film-substrate interface is indeed a potent sink and source of vacancies; the vacancies that originated at the interface are consumed by the expanding hole. Some fraction of the vacancy flux generated by annihilating dislocation loops may lead to the nucleation of

Zigzag phosphorene nanoribbons: one-dimensional resonant channels in two-dimensional atomic crystals

• Carlos. J. Páez,
• Dario. A. Bahamon,
• Ana L. C. Pereira and
• Peter. A. Schulz

Beilstein J. Nanotechnol. 2016, 7, 1983–1990, doi:10.3762/bjnano.7.189

• chosen here is a device with a vacancy located at the upper edge of the left contact near the central segment (quantum well), the exact position is marked by the arrow in Figure 7d. What can be observed from the transmission probabilities in Figure 7a–c is that the resonances of the well at the contact

• defined to the left by a barrier due to the vacancy, couple to some of the states of the original well given by the central segment. Those couplings are identified by the split peaks clearly seen in Figure 7b. If the barriers defining the central segment (well) are widened, Figure 7a, the splitting

• diminishes. Figure 7c depicts the same device without the vacancy as a guide for identifying the couplings. The character of the one-dimensionally confined states in the presence of a vacancy is illustrated in the LDOS in Figure 7d and Figure 7e for the resonances corresponding to arrows 1 and 2 in Figure 7b

Active and fast charge-state switching of single NV centres in diamond by in-plane Al-Schottky junctions

• Christoph Schreyvogel,
• Vladimir Polyakov,
• Sina Burk,
• Helmut Fedder,
• Andrej Denisenko,
• Felipe Fávaro de Oliveira,
• Ralf Wunderlich,
• Jan Meijer,
• Verena Zuerbig,
• Jörg Wrachtrup and
• Christoph E. Nebel

Beilstein J. Nanotechnol. 2016, 7, 1727–1735, doi:10.3762/bjnano.7.165

• state and hence of the optical and electronic properties of single and near-surface nitrogen-vacancy centres (NV centres) in diamond. This active manipulation is achieved by using a two-dimensional Schottky-diode structure from diamond, i.e., by using aluminium as Schottky contact on a hydrogen

• for quantum communication and cryptography. Keywords: active charge state control; diamond; fast charge state switching; NV centre; two-dimensional Schottky diode; Introduction The nitrogen-vacancy centre (NV centre) in diamond is known to exist in at least three different charge states (NV−, NV0

Scanning probe microscopy studies on the adsorption of selected molecular dyes on titania

• Jakub S. Prauzner-Bechcicki,
• Lukasz Zajac,
• Piotr Olszowski,
• Res Jöhr,
• Antoine Hinaut,
• Thilo Glatzel,
• Bartosz Such,
• Ernst Meyer and
• Marek Szymonski

Beilstein J. Nanotechnol. 2016, 7, 1642–1653, doi:10.3762/bjnano.7.156

• electronic states of molecules in the planar conformation. If molecules in the planar configuration are positioned on an oxygen vacancy, the HOMO resonance shifts outward from the Fermi level by about −0.4 V with respect to that of the molecule sitting on non-defected area [59]. The HOMO−1 state of the same

• molecule is hardly affected by the presence of the defect. As soon as molecules in the non-planar configuration are moved onto an oxygen vacancy, the LUMO state is only slightly shifted with respect to its position for molecules located away from oxygen vacancies. The authors also discussed the possible

Three-gradient regular solution model for simple liquids wetting complex surface topologies

• Sabine Akerboom,
• Marleen Kamperman and
• Frans A. M. Leermakers

Beilstein J. Nanotechnol. 2016, 7, 1377–1396, doi:10.3762/bjnano.7.129

• -field approximation is now applied along lattice layers. The angular brackets in the last term indicate that in the interaction term “curvature” information is included, which is needed to evaluate the number of liquid–vacancy contacts in the presence of density gradients. In continuous language, we

• water. All these differences with respect to our experimental system are accepted as we search only for scenarios. For ease of reference we may call the liquid-rich phase “water” and the vacancy-rich phase “vapour”. Droplet on an unstructured solid Still using the one-gradient approach, it is possible

Photocurrent generation in carbon nanotube/cubic-phase HfO₂ nanoparticle hybrid nanocomposites

• Protima Rauwel,
• Augustinas Galeckas,
• Martin Salumaa,
• Frédérique Ducroquet and
• Erwan Rauwel

Beilstein J. Nanotechnol. 2016, 7, 1075–1085, doi:10.3762/bjnano.7.101

• respect that theoretical calculations of the electronic properties of oxygen vacancies in monoclinic HfO2 [45] predict single- and double-ionized vacancy states at 4.7 eV and 4.9 eV above the valence band, which appear very close to the experimentally observed absorption thresholds in Figure 2b. The

Plasticity-mediated collapse and recrystallization in hollow copper nanowires: a molecular dynamics simulation

• Amlan Dutta,
• Arup Kumar Raychaudhuri and
• Tanusri Saha-Dasgupta

Beilstein J. Nanotechnol. 2016, 7, 228–235, doi:10.3762/bjnano.7.21

• , thereby discarding the proposed mechanism of a slow diffusive route of vacancy migration. On the other hand, the collapse is found to proceed through creation of disordered atoms and plastic slips. Upon collapse, the hollow nanowire becomes partially amorphous, which heals through the recrystallization of

• in the present study, e.g., stacking fault energy, vacancy formation energy, elastic constants and melting point. The hollow wire is first optimized to a minimum-energy structure and then exposed to a constant temperature maintained by means of the Nosé–Hoover thermostat [20][21]. The simulation cell

• (shown as red atoms in Figure 1). This firmly establishes that instead of the conventional notion of slow and diffusive mode of collapse by vacancy migration, the collapse happens through a plasticity mediated mechanism involving the rapid drift of disordered atoms and creation of stacking faults on

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

• ’ intensity ratio can be used experimentally to get information about the nature of defects in graphene [42]. The ID/ID’ ratio is found to be maximal (about 13) for defects associated with sp3 hybridization. It decreases for vacancy-like defects (about 7), and reaches a minimum for boundary-like defects

A facile method for the preparation of bifunctional Mn:ZnS/ZnS/Fe₃O₄ magnetic and fluorescent nanocrystals

• Houcine Labiadh,
• Tahar Ben Chaabane,
• Romain Sibille,
• Lavinia Balan and
• Raphaël Schneider

Beilstein J. Nanotechnol. 2015, 6, 1743–1751, doi:10.3762/bjnano.6.178

• dominant one at approximately 584 nm (visible, orange wavelength region). The first emission is associated with transitions involving vacancy states of the ZnS host material [24][30], while the second one originates from the Mn2+ dopant, which is excited via energy transfer of the ZnS host followed by the

Possibilities and limitations of advanced transmission electron microscopy for carbon-based nanomaterials

• Xiaoxing Ke,
• Carla Bittencourt and
• Gustaaf Van Tendeloo

Beilstein J. Nanotechnol. 2015, 6, 1541–1557, doi:10.3762/bjnano.6.158

• al. commented that extended holes (rather than a knock-on vacancy) grow over a wide range from 20 to 100 keV, or even below 20 keV. A mechanism of beam-induced etching with residual water or oxygen in the system is therefore suggested [40]. The strong anisotropic tubular structure of CNTs leads to an

• analyzing most carbon-based nanostructures. Great care must be taken in investigating extensive defects such as a graphene edge, where a lower voltage may not necessarily mean the better solution, as beam-induced etching will occur [40]. Following the knock-out of carbon atoms, vacancy formation and the

Enhanced fullerene–Au(111) coupling in (2√3 × 2√3)R30° superstructures with intermolecular interactions

• Michael Paßens,
• Rainer Waser and
• Silvia Karthäuser

Beilstein J. Nanotechnol. 2015, 6, 1421–1431, doi:10.3762/bjnano.6.147

• of importance for the activation of a Au vacancy forming process and thus, one criterion for the selection of the respective superstructure. However, here it is depicted that a vacancy–adatom pair can be formed even at room temperature. This latter process results in C60 molecules that appear

• interactions, likely mediated by Au adatoms. Thus, vacancy–adatom pairs forming at room temperature directly affect the resulting C60 superstructure. Differential conductivity spectra reveal a lifting of the degeneracy of the LUMO and LUMO+1 orbitals in the uniform (2√3 x 2√3)R30° superstructure and in

• addition, hybrid fullerene–Au(111) surface states suggest partly covalent interactions. Keywords: adatom–vacancy mechanism; differential conductance; fullerene; Ising model; scanning tunnelling microscopy; Introduction Monolayers of close-packed fullerenes on metal surfaces belong to one of the most