Unravelling the interfacial interaction in mesoporous SiO₂@nickel phyllosilicate/TiO₂ core–shell nanostructures for photocatalytic activity

• Bridget K. Mutuma,
• Xiluva Mathebula,
• Isaac Nongwe,
• Bonakele P. Mtolo,
• Boitumelo J. Matsoso,
• Rudolph Erasmus,
• Zikhona Tetana and
• Neil J. Coville

Beilstein J. Nanotechnol. 2020, 11, 1834–1846, doi:10.3762/bjnano.11.165

• factor that affects the photocatalytic activity of TiO2, is its adsorption capacity for dye molecules. The adsorption capacity of TiO2 can be readily improved by modifying its surface charge density or by increasing its surface area and pore volume [5][20][21]. Further, SiO2 is a good adsorptive material

Nanocasting synthesis of BiFeO₃ nanoparticles with enhanced visible-light photocatalytic activity

• Thomas Cadenbach,
• Maria J. Benitez,
• A. Lucia Morales,
• Cesar Costa Vera,
• Luis Lascano,
• Francisco Quiroz,
• Alexis Debut and
• Karla Vizuete

Beilstein J. Nanotechnol. 2020, 11, 1822–1833, doi:10.3762/bjnano.11.164

• catalyst surfaces are negatively charged, which leads to a repulsion of the negatively charged carboxylate functional groups of the dye molecule [51][54][59]. In addition, due to electrostatic interactions, RhB dimers are formed, which affects the charge density throughout the molecule and possibly leads

PTCDA adsorption on CaF₂ thin films

• Philipp Rahe

Beilstein J. Nanotechnol. 2020, 11, 1615–1622, doi:10.3762/bjnano.11.144

• when reducing the tip–sample distance for improving the STM contrast. The substructure enclosed by the double lobes is reminiscent of the LUMO charge density distribution [10], yet, at negative sample bias. Possible reasons include a non-negligible electronic coupling across the ultrathin film

Walking energy harvesting and self-powered tracking system based on triboelectric nanogenerators

• Mingliang Yao,
• Guangzhong Xie,
• Qichen Gong and
• Yuanjie Su

Beilstein J. Nanotechnol. 2020, 11, 1590–1595, doi:10.3762/bjnano.11.141

• area with the undulated electrode but also promotes the triboelectric charge density on the friction surface. The prepared u-TENGs are flexible, rugged, light, and small devices, as revealed in Figure 1c. It is worth noting that the application of the undulated electrode structure in this work is

• the theoretical analysis of the TENG [53], where σ is the surface triboelectric charge density, d is the interlayer distance, ε0 is the vacuum permittivity, and εr is the relative permittivity of the PTFE layer. The standstill deformation gives rise to the saturated output voltage in the inelastic

Controlling the electronic and physical coupling on dielectric thin films

• Philipp Hurdax,
• Michael Hollerer,
• Larissa Egger,
• Georg Koller,
• Xiaosheng Yang,
• Anja Haags,
• Serguei Soubatch,
• Frank Stefan Tautz,
• Mathias Richter,
• Alexander Gottwald,
• Peter Puschnig,
• Martin Sterrer and
• Michael G. Ramsey

Beilstein J. Nanotechnol. 2020, 11, 1492–1503, doi:10.3762/bjnano.11.132

• work function upon adsorption of the molecules (ΔΦ = Φmol − ΦMgO, where Φmol is the final work function after adsorption of the molecules) is very well described by electrostatics with a simple capacitor model given by where σ is the average charge density in the molecular film, εr is the dielectric

• monolayer and thus the charge density (σ) on the surface. For the capacitor model to be predictive and quantitative for ultrathin decoupling layers, a realistic value for their dielectric constant (εr) is required. This can be estimated from a molecular dosing series, such as in Figure 5. Figure 6b shows

• /σ) in Figure 6b, according to: In order to determine the charge density, the knowledge of the density of charged molecules in the monolayer is required. In the case of pentacene, this could be reliably measured with STM, as 5A monolayers with all molecules charged could be produced. The LEED image

Superconductor–insulator transition in capacitively coupled superconducting nanowires

• Alex Latyshev,
• Andrew G. Semenov and
• Andrei D. Zaikin

Beilstein J. Nanotechnol. 2020, 11, 1402–1408, doi:10.3762/bjnano.11.124

• expressed in terms of the dual operators and [14] which obey the canonical commutation relation and are related to the charge density and the local phase operators, and respectively, by means of the following equations Physically, represents the magnetic flux operator, while the operator is

Structural and electronic properties of SnO₂ doped with non-metal elements

• Jianyuan Yu,
• Yingeng Wang,
• Yan Huang,
• Xiuwen Wang,
• Jing Guo,
• Jingkai Yang and
• Hongli Zhao

Beilstein J. Nanotechnol. 2020, 11, 1321–1328, doi:10.3762/bjnano.11.116

• oxygen vacancies, and thus, increase the charge density of the Sn sites. The replacement of O with N can simultaneously decrease the release of CO2. While there are reports on experiments regarding the doping of SnO2 with non-metal elements, the mechanism of the effect of non-metal element doping on the

• , (b) SnO2/C, (c) SnO2/F, (d) SnO2/N, (e) SnO2/S, (f) SnO2. Differential charge density of SnO2 with O atom substituted by non-metal element. The reflection spectrum of SnO2 of O atom replaced by non-metal atom. Geometric optimization results of SnO2 with O substituted by a non-metal element. Bond

Multilayer capsules made of weak polyelectrolytes: a review on the preparation, functionalization and applications in drug delivery

• Varsha Sharma and
• Anandhakumar Sundaramurthy

Beilstein J. Nanotechnol. 2020, 11, 508–532, doi:10.3762/bjnano.11.41

• force [13] using confocal laser scanning microscopy (CLSM), atomic force microscopy (AFM), and reflection interference contrast microscopy (RICM). Fabrication conditions such as the type of polymer (e.g., thicker layers are formed by PEs having lower charge density) [14], concentration of the polymer

DFT calculations of the structure and stability of copper clusters on MoS₂

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2020, 11, 391–406, doi:10.3762/bjnano.11.30

• computed Bader charges of 11.0 to 11.1 electrons. There are no significant changes in the computed Bader charges of Mo and S atoms in the monolayer, which are ca. 4.9 and 6.5 electrons, respectively. Analysis of the charge density difference after Cun adsorption, confirms the observations made from the

• Bader analysis. Charge density is localised mainly at the adsorbed Cu atoms, with less charge density at those Cu atoms that are not bound to the surface. Some charge density is also observed in the surface S atoms interacting with Cu atoms, as well as those Mo atoms that are bound to the interacting S

• atoms. Figure S5A–G of Supporting Information File 1 shows the charge density difference of the most favourable Cun adsorption configurations. Similarly, the bond lengths between Mo and S atoms in the monolayer do not vary significantly from those in the bare MoS2 monolayer after adsorption of Cu atoms

Interactions at the cell membrane and pathways of internalization of nano-sized materials for nanomedicine

• Valentina Francia,
• Daphne Montizaan and
• Anna Salvati

Beilstein J. Nanotechnol. 2020, 11, 338–353, doi:10.3762/bjnano.11.25

• particles [125][137][138]. However, there are other examples showing exactly the opposite [139]. It has also been reported that uptake increases with charge density (either positive or negative) [140]. Regarding the pathway of internalization, some studies suggested that positively charged nanomaterials are

Antimony deposition onto Au(111) and insertion of Mg

• Lingxing Zan,
• Da Xing,
• Abdelaziz Ali Abd-El-Latif and
• Helmut Baltruschat

Beilstein J. Nanotechnol. 2019, 10, 2541–2552, doi:10.3762/bjnano.10.245

• processes are kinetically slow because of the large ionic radius and high charge density of Mg2+ compared with Li+. In this work, we prepared very thin films of Sb by electrodeposition on a Au(111) substrate. Monolayer and multilayer deposition (up to 20 monolayers) were characterized by cyclic voltammetry

• reduction of oxygenous Sb(III) species from bulk solution. The total charge density of peaks C1 and C2 (≈320 µC cm−2) suggests that the coverage of a monolayer is around 0.44 by assuming a one to one ratio of Sb to Au atoms for a hypothetical monolayer (and a 3e− process), which is close to the reported

Nitrogen-vacancy centers in diamond for nanoscale magnetic resonance imaging applications

• Alberto Boretti,
• Lorenzo Rosa,
• Jonathan Blackledge and
• Stefania Castelletto

Beilstein J. Nanotechnol. 2019, 10, 2128–2151, doi:10.3762/bjnano.10.207

• properties with theoretical models. An array of NV sensors under the diamond surface were used in [58] for the spatial mapping of band bending, where the NV sensors probe the electric field associated with the surface distribution of space charge density under different diamond surface termination. The

Improvement of the thermoelectric properties of a MoO₃ monolayer through oxygen vacancies

• Wenwen Zheng,
• Wei Cao,
• Ziyu Wang,
• Huixiong Deng,
• Jing Shi and
• Rui Xiong

Beilstein J. Nanotechnol. 2019, 10, 2031–2038, doi:10.3762/bjnano.10.199

• ratio of the Seebeck coefficient and the electrical conductivity along the x-axis and the y-axis at room temperature. Calculated (a) total electronic density of states (DOS) and projected DOS for (b) Mo and (c) O atoms of the MoO3 monolayer. The insets of (b) and (c) show the total charge density from

Effects of surface charge and boundary slip on time-periodic pressure-driven flow and electrokinetic energy conversion in a nanotube

• Mandula Buren,
• Yongjun Jian,
• Yingchun Zhao,
• Long Chang and
• Quansheng Liu

Beilstein J. Nanotechnol. 2019, 10, 1628–1635, doi:10.3762/bjnano.10.158

• Economics, Hohhot, China 10.3762/bjnano.10.158 Abstract Time-periodic pressure-driven slip flow and electrokinetic energy conversion efficiency in a nanotube are studied analytically. The slip length depends on the surface charge density. Electric potential, velocity and streaming electric field are

• contact with an electrolyte solution, most of them acquire surface electric charge [2] due to ion adsorption and acid–base reactions [3]. The charged surface attracts counterions and repels co-ions in the nearby electrolyte solution, and hence an electric double layer (EDL) with net charge density forms

• independent of the surface charge. However, recent theoretical and experimental results have shown that the surface charge affects the slip length. Joly et al. [18] used molecular dynamics simulations to find the relationship between slip length and surface charge density. The reason is that there exists an

Construction of a 0D/1D composite based on Au nanoparticles/CuBi₂O₄ microrods for efficient visible-light-driven photocatalytic activity

• Weilong Shi,
• Mingyang Li,
• Hongji Ren,
• Feng Guo,
• Xiliu Huang,
• Yu Shi and
• Yubin Tang

Beilstein J. Nanotechnol. 2019, 10, 1360–1367, doi:10.3762/bjnano.10.134

• promote the absorption of visible light and produce hot charge carriers that can increase the charge density of the substrate semiconductor [16][17]. In addition, as an effective electron sink, noble metals can capture photogenerated electrons and leave holes on the surface of semiconductors, which can be

Green fabrication of lanthanide-doped hydroxide-based phosphors: Y(OH)₃:Eu³⁺ nanoparticles for white light generation

• Tugrul Guner,
• Anilcan Kus,
• Mehmet Ozcan,
• Aziz Genc,
• Hasan Sahin and
• Mustafa M. Demir

Beilstein J. Nanotechnol. 2019, 10, 1200–1210, doi:10.3762/bjnano.10.119

• bandgap of 3.83 eV, some midgap states emerge after the interstitial doping of Eu. The energy bandgap of the host at the vicinity of doped region increases to 4.28 eV. The band and orbital decomposed charge density presented in Figure 5b shows that the midgap state is formed by strongly hybridized Eu and

• doping ratio of the particles. (a) Perspective view of the atomic structure of Eu-doped Y(OH)3. (b) (left) The electronic band dispersion of Eu-doped Y(OH)3 (the Fermi level is set to zero) and (right) top and side view of the charge density corresponding to the midgap electronic state. White LED

Synthesis and characterization of quaternary La(Sr)S–TaS₂ misfit-layered nanotubes

• Marco Serra,
• Erumpukuthickal Ashokkumar Anumol,
• Dalit Stolovas,
• Iddo Pinkas,
• Ernesto Joselevich,
• Reshef Tenne,
• Andrey Enyashin and
• Francis Leonard Deepak

Beilstein J. Nanotechnol. 2019, 10, 1112–1124, doi:10.3762/bjnano.10.111

• to the hexagonal lattice is reduced upon increasing SrLa substitution. An analysis of the charge density distribution in the SrxLa1−xS–TaS2 misfits confirms the fairly ionic nature of the Sr atoms (like that in SrS compounds), while the La atoms establish covalent-like bonding with neighbor S atoms

• [46]. Finally, the compound SrTa2S5 with hexagonal structure, which can be possibly described as SrS–(TaS2)2 MLC, was found to exhibit a transition to a superconductor state at 3.16 K. [47]. A few authors suggested that increasing the charge transfer from the MX unit to the TX2 suppresses the charge

• density wave (CDW) transition, promoting thereby the superconducting state of the MLC [32]. This effect can be refined by controlling the Sr to rare-earth atoms in the MX lattice of the MLC. In the present work, the synthesis and characterization of nanotubes from the series SrxLa1−xS–TaS2 with ascending

Electronic and magnetic properties of doped black phosphorene with concentration dependence

• Ke Wang,
• Hai Wang,
• Min Zhang,
• Yan Liu and
• Wei Zhao

Beilstein J. Nanotechnol. 2019, 10, 993–1001, doi:10.3762/bjnano.10.100

• the large dopant content and deep impurity levels, so that the impurity levels have influences on both the CBM and VBM. Therefore, we cannot infer from observing the band structure whether the impurity atom is the donor or acceptor in the doped phosphorenes. Charge density difference In order to

• denominate donor and acceptor in the doped phosphorenes, the charge density difference Δρ (CDD) is computed as follows [26]: where ρtot, ρvP, and ρd are the electron density of doped phosphorene, black phosphorene with one vacancy, and a dopant atom. The obtained results of Si- and S-doped phosphorenes are

• phosphorene with (e) 2 × 2 × 1, (f) 3 × 3 × 1, (g) 4 × 4 × 1, and (h) 5 × 5 × 1 supercell, respectively. The spin-up and spin-down energy bands are represented by red and blue lines, respectively. Charge density differences (CDDs) of doped phosphorene with different supercell sizes. (a–d) CDDs of Si-doped

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

• 3.99 and 3.67 Å, respectively. The large distance and the small binding strength of S8 on 2H-MoS2 and 1T'-MoS2 monolayers indicate that the interaction mainly originates from van der Waals interactions. To understand the binding between LPSs and the 2HMoS2- and 1T'-MoS2 monolayers, the charge-density

• redistribution becomes less pronounced, and there is almost no charge exchange between Li2S8 and the 2H-MoS2 monolayer, causing only weak adsorption. This agrees with the fact that the binding energy of Li2Sx absorbed on the 2H-MoS2 monolayer decreases as x increases from 1 to 8. The charge-density differences

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

• chosen to be smaller than the standard “Siesta” value of about 200 meV, thereby allowing us to produce orbitals with larger cutoff radii in order to accurately simulate the long-range interactions. The grid used to calculate the integrals and to represent the charge density and potentials was defined by

• mechanism (see Supporting Information File 1, Figure S5, right). The analysis of the quantity displays shapes specific to a covalent bond, i.e., charge accumulation between the atoms in direct interaction. For one of the two spin components of charge density charge accumulation is present, while there is a

Outstanding chain-extension effect and high UV resistance of polybutylene succinate containing amino-acid-modified layered double hydroxides

• Adam A. Marek,
• Vincent Verney,
• Christine Taviot-Gueho,
• Grazia Totaro,
• Laura Sisti,
• Annamaria Celli and
• Fabrice Leroux

Beilstein J. Nanotechnol. 2019, 10, 684–695, doi:10.3762/bjnano.10.68

• the organic anions (determined using ChemBio 3D ultra 13.0 suite software) leads us to propose a monolayer arrangement for LDH/HIS where the main plane of the molecule is oriented nearly parallel to the hydroxide layer (Figure 2). From the point of charge density, Mg2Al hydroxide layers display an

• (Figure 3). A parallel orientation similar to histidine would require a surface area per unit charge of ≈35 Å2, which is too high compared to the charge density of Mg2Al host layers, thus supporting the perpendicular orientation. Actually, phenylalanine molecules are likely to be oriented in an inclined

Coexisting spin and Rabi oscillations at intermediate time regimes in electron transport through a photon cavity

• Vidar Gudmundsson,
• Hallmann Gestsson,
• Nzar Rauf Abdullah,
• Chi-Shung Tang,
• Andrei Manolescu and
• Valeriu Moldoveanu

Beilstein J. Nanotechnol. 2019, 10, 606–616, doi:10.3762/bjnano.10.61

• video shows oscillations in the charge density between the dots with a combination of the Rabi and the Zeeman frequency. This is in accordance with the left and right transport currents displayed in Figure 5. Moreover, the charge oscillations in the video explain the phase difference between the left

Ceria/polymer nanocontainers for high-performance encapsulation of fluorophores

• Kartheek Katta,
• Dmitry Busko,
• Yuri Avlasevich,
• Katharina Landfester,
• Stanislav Baluschev and
• Rafael Muñoz-Espí

Beilstein J. Nanotechnol. 2019, 10, 522–530, doi:10.3762/bjnano.10.53

• crystallization experiments with specific concentration. The surface charge density was determined at pH 10 to ensure the complete deprotonation of the carboxylic groups. Synthesis of CeO2/polymer hybrid nanocapsules The synthesized polymeric nanocapsules, NC and NC(Ar), were used in the crystallization

•  1 reports the different samples reported in this work with the corresponding particle sizes measured by DLS. The surface charge density of the negatively charged latex nanocapsules was determined by direct polyelectrolyte titration with a roughly 0.001 N solution of poly(diallyldimethyl ammonium

• chloride), detecting the end point with an automatic streaming current detector with a particle-charge detector Mütek PCD-03 in combination with a Metrohm Titrino automatic titrator. The samples were diluted to a solid content of 0.1 wt % for titration and the surface charge density of 1.6 carboxylic

pH-mediated control over the mesostructure of ordered mesoporous materials templated by polyion complex micelles

• Emilie Molina,
• Mélody Mathonnat,
• Jason Richard,
• Patrick Lacroix-Desmazes,
• Martin In,
• Philippe Dieudonné,
• Thomas Cacciaguerra,
• Corine Gérardin and
• Nathalie Marcotte

Beilstein J. Nanotechnol. 2019, 10, 144–156, doi:10.3762/bjnano.10.14

• decrease of the charge density of oligochitosan (pKaOC 6.7) but also the increase of the PAA charge density, leading to an increase of the OC content relative to the DHBC in order to compensate the PAA charge in the PIC nanophase. Let us note that the fact that the amount of OC integrated in the material

• volume. The EO/Si decrease reflects the weaker hydrogen bond interactions between EO and silica species, which are expected due to the pH-dependence of the charge density of silica species [40]. This decreased EO/SiOH interaction with pH is in good accordance with the well-admitted mechanism of formation

• 7.9), the N/AA ratio sharply drops whereas EO/Si further decreases. The low value of N/AA is quite surprising since the charge density of OC decreases strongly above pH 6.5, and then even higher values of N/AA could be expected as a result of the necessary charge compensation in the PIC nanophase. Let

Hydrogen-induced plasticity in nanoporous palladium

• Markus Gößler,
• Eva-Maria Steyskal,
• Markus Stütz,
• Norbert Enzinger and
• Roland Würschum

Beilstein J. Nanotechnol. 2018, 9, 3013–3024, doi:10.3762/bjnano.9.280

• recently [60], is where Δεe denotes the change in elastic strain, α is the specific surface area A/V, K the bulk modulus, Δf the change in surface stress, and Enp the Young’s modulus of the nanoporous structure. Δf can be linked to the change in surface charge density Δq via electrocapillary coupling