Effects of focused electron beam irradiation parameters on direct nanostructure formation on Ag surfaces

• Jānis Sniķeris,
• Vjačeslavs Gerbreders,
• Andrejs Bulanovs and
• Ēriks Sļedevskis

Beilstein J. Nanotechnol. 2022, 13, 1004–1010, doi:10.3762/bjnano.13.87

• the irradiation process. If the electric field, which causes the movement of metal ions, was centred around the focus of the EB where the negative charge density is the highest, moving the focus above the surface would have increased the electric field component in a positive direction along the z

Theoretical investigations of oxygen vacancy effects in nickel-doped zirconia from ab initio XANES spectroscopy at the oxygen K-edge

• Dick Hartmann Douma,
• Lodvert Tchibota Poaty,
• Alessio Lamperti,
• Stéphane Kenmoe,
• Abdulrafiu Tunde Raji,
• Alberto Debernardi and
• Bernard M’Passi-Mabiala

Beilstein J. Nanotechnol. 2022, 13, 975–985, doi:10.3762/bjnano.13.85

• 2 × 2 × 2 Monkhorst–Pack grid, while convergence thresholds of 10−8 Ry and 10−3 Ry/Bohr have been adopted for the total energy and atomic forces, respectively. The plane wave basis set used to represent the Kohn–Sham (KS) orbitals has a kinetic energy of 50 Ry with 500 Ry as the charge density. The

• is calculated as follows: First, the charge density is obtained through a self-consistent DFT calculation with 1s core hole on the absorbing oxygen atom, and the cross section is then calculated for a given polarization direction using the Lanczos method and the continued fraction [45]. This approach

• does not require an explicit calculation of empty states and is very fast since only the charge density is needed [34]. Our supercell of size 2 × 2 × 2 (96 atoms) is sufficiently large to avoid the interaction between periodic images of the absorbing atom. In fact, a smaller supercell size of 72 atoms

Modeling a multiple-chain emeraldine gas sensor for NH₃ and NO₂ detection

• Hana Sustkova and
• Jan Voves

Beilstein J. Nanotechnol. 2022, 13, 721–729, doi:10.3762/bjnano.13.64

• molecular properties of polyaniline have been studied by quantum mechanical means in [4][8]. The band structure was calculated by Reis et al. [9], together with transmittance, electrical current flow, and charge density. For these calculations, density functional theory (DFT, [10]) based on the generalized

The effect of metal surface nanomorphology on the output performance of a TENG

• Yiru Wang,
• Xin Zhao,
• Yang Liu and
• Wenjun Zhou

Beilstein J. Nanotechnol. 2022, 13, 298–312, doi:10.3762/bjnano.13.25

• Normal University, Neijiang 641100, China 10.3762/bjnano.13.25 Abstract In this work, the effect of charge density and nanomorphology of a metal tip on the output performance of a triboelectric nanogenerator (TENG) is studied. The basic working principle of the TENG is charge transfer after separation

• concentration, and temperature during the electrodeposition of copper. The samples were characterized using XRD and SEM. The output performance of the TENG is closely related to the size, charge density distribution, and shape of the metal nanoparticles. Keywords: charge density; green energy; metal

• charge density [35][36][37], (2) reduction of the impact of the external environment on TENGs [38][39], (3) enhancement of the surface charge density, including active charge pumping and intercalation of a charge trap layer [40][41], and (4) increase of the number of TENG units [42][43]. In order to

Plasma modes in capacitively coupled superconducting nanowires

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

Beilstein J. Nanotechnol. 2022, 13, 292–297, doi:10.3762/bjnano.13.24

• relation and are linked to the charge density and the phase operators and as Physically, represents the magnetic flux operator, while the operator is proportional to that for the total charge that has passed through the point x of the i-th wire up to the same time moment t, that is, As we already

Engineered titania nanomaterials in advanced clinical applications

• Padmavati Sahare,
• Paulina Govea Alvarez,
• Juan Manual Sanchez Yanez,
• Gabriel Luna-Bárcenas,
• Samik Chakraborty,
• Sujay Paul and
• Miriam Estevez

Beilstein J. Nanotechnol. 2022, 13, 201–218, doi:10.3762/bjnano.13.15

• found that nps smaller than 100 nm produce more ROS due to their higher surface area [29]. Properties of nps such as surface charge density and zeta potential are influential in determining their reactivity, agglomeration properties, interaction with cells, stability in complex media, and adsorption of

Topographic signatures and manipulations of Fe atoms, CO molecules and NaCl islands on superconducting Pb(111)

• Carl Drechsel,
• Philipp D’Astolfo,
• Jung-Ching Liu,
• Thilo Glatzel,
• Rémy Pawlak and
• Ernst Meyer

Beilstein J. Nanotechnol. 2022, 13, 1–9, doi:10.3762/bjnano.13.1

• . Importantly, STM images on both substrates revealed local maxima between individual CO molecules constituting the chains like on Pb(110). These observations were suggested to be related to a charge density perturbation resulting from substrate-mediated attractive interaction between CO molecules. Note also

Biocompatibility and cytotoxicity in vitro of surface-functionalized drug-loaded spinel ferrite nanoparticles

• Sadaf Mushtaq,
• Khuram Shahzad,
• Tariq Saeed,
• Anwar Ul-Hamid,
• Bilal Haider Abbasi,
• Nafees Ahmad,
• Waqas Khalid,
• Muhammad Atif,
• Zulqurnain Ali and
• Rashda Abbasi

Beilstein J. Nanotechnol. 2021, 12, 1339–1364, doi:10.3762/bjnano.12.99

• drug molecules and NPs were acid labile in nature, resulting in the detachment of the drug from NPs under acidic conditions (pH. 5.5) [32]. The drug release became slower and sustained after that. Acidic conditions change the surface charge density which causes deionization of amide bonds, resulting in

A review on slip boundary conditions at the nanoscale: recent development and applications

• Ruifei Wang,
• Jin Chai,
• Bobo Luo,
• Xiong Liu,
• Jianting Zhang,
• Min Wu,
• Mingdan Wei and
• Zhuanyue Ma

Beilstein J. Nanotechnol. 2021, 12, 1237–1251, doi:10.3762/bjnano.12.91

• density on the distribution of the electrostatic potential within the EDL, many previous studies have investigated how the surface charge density can affect the solvent hydrodynamic slippage on solid surfaces. It was demonstrated by many researches that when the surface charge density increases, the slip

• length correspondingly decreases [23][46]. Joly et al. proposed an approximate model to describe the relationship between the slip length and surface charge density. They validated the model by using a MD simulation with an ionized solution system represented by models of ideal solvents and ions [46

• ]. Furthermore, Rezaei et al. performed MD simulations to study the electro-osmotic flow of an aqueous NaCl solution on a charged silicon surface [23], and similar conclusions as the ones proposed by Joly et al. were drawn in terms of the relationship between slip length and surface charge density. On the other

First-principles study of the structural, optoelectronic and thermophysical properties of the π-SnSe for thermoelectric applications

• Muhammad Atif Sattar,
• Najwa Al Bouzieh,
• Maamar Benkraouda and
• Noureddine Amrane

Beilstein J. Nanotechnol. 2021, 12, 1101–1114, doi:10.3762/bjnano.12.82

• conductivity, which might occur through a few properties, such as a complex crystal lattice [14], large molecular mass [23], and charge density wave distortions [24]. In recent years, numerous thermoelectric alloys have shown an outstanding thermoelectric efficiency with ZT values greater than two by

Uniform arrays of gold nanoelectrodes with tuneable recess depth

• Elena O. Gordeeva,
• Ilya V. Roslyakov,
• Alexey P. Leontiev,
• Alexey A. Klimenko and
• Kirill S. Napolskii

Beilstein J. Nanotechnol. 2021, 12, 957–964, doi:10.3762/bjnano.12.72

• IV). The charge density, which passes before the metal nanowires reach the AAO surface (qexp), is strongly affected by Ed (Figure 2b). An increase in overpotential leads to a decrease in the average filling the AAO template with metal. According to Faraday’s law, the electric charge density required

• with electrical contact, Cu was re-deposited on the surface of the Au segments (Figure 3a). The experiment was carried out at Ed = −0.1 V and limited by the electrical charge density, which is equal to the corresponding value in the case of electrodeposition of the first Cu segment. SEM images of the

• constant voltage of 40 V. The temperature of the electrolyte was kept constant at 20 °C. The anodizing duration was controlled coulometrically using a thickness-to-charge density ratio of 500 nm·cm2·C−1 [39]. At the first stage, a sacrificial oxide layer with a thickness of 10 µm was formed and then

Prediction of Co and Ru nanocluster morphology on 2D MoS₂ from interaction energies

• Cara-Lena Nies and
• Michael Nolan

Beilstein J. Nanotechnol. 2021, 12, 704–724, doi:10.3762/bjnano.12.56

• site hollow, which has formed a Ru4S3 cluster has a Bader charge of 7.6 electrons for the atop Ru atom that forms new Ru–S bonds. Further details of the Bader charge analysis are given in section S1.3 of Supporting Information File 1. The changes in charge density are localised around the adatoms and

• the Mo and S atoms in the immediate neighbourhood of the adatoms. Atoms that were found to be near metallic during the Bader analysis are also found to have somewhat less charge density compared to atoms that were oxidised. There is no distinct difference in how Co and Ru affect the charge density

• with adsorption to MoS2. Examples of the charge density differences are shown in Figure S1 and Figure S2 of Supporting Information File 1, with some additional discussion in section S1.4. Analysis of DOS plots shows that the Mo d-orbital or the S p-orbital contributions are largely unaffected by adatom

A review of defect engineering, ion implantation, and nanofabrication using the helium ion microscope

• Frances I. Allen

Beilstein J. Nanotechnol. 2021, 12, 633–664, doi:10.3762/bjnano.12.52

• by localized helium ion irradiation. For example, using a helium ion dose of 5 × 1014 ions/cm2, permanent local tuning of the charge density in an amorphous thin film of the semiconductor indium gallium zinc oxide (film thickness 50 nm) has been demonstrated, thereby enabling activation of the

Simulation of gas sensing with a triboelectric nanogenerator

• Kaiqin Zhao,
• Hua Gan,
• Huan Li,
• Ziyu Liu and
• Zhiyuan Zhu

Beilstein J. Nanotechnol. 2021, 12, 507–516, doi:10.3762/bjnano.12.41

• area. Further, in order to eliminate the inevitable topological change during the actual movement of the TENG, an air gap was established in COMSOL to construct the two-dimensional model of the TENG. Based on the assumption that the surface charge density of the triboelectric nanogenerator is constant

• materials approach or move away from each other, other substances, such as water vapor, carbon dioxide, and other gases, can pass through the gap. We present a simulation with water vapor under ideal conditions, that is, the surface charge density may be changed during the experiment. A simplified two

• triboelectric materials is helpful for distinguishing different gases. It is noted that water or humidity can degrade the surface charge density of the electrification surfaces in an actual experiment. We will carry out further investigations in the future. Conclusion Simulations of three differently shaped

Reconstruction of a 2D layer of KBr on Ir(111) and electromechanical alteration by graphene

• Zhao Liu,
• Antoine Hinaut,
• Stefan Peeters,
• Sebastian Scherb,
• Ernst Meyer,
• Maria Clelia Righi and
• Thilo Glatzel

Beilstein J. Nanotechnol. 2021, 12, 432–439, doi:10.3762/bjnano.12.35

• function of this layer is reduced by −1.7 eV compared to Ir(111) as shown by KPFM and in accordance with charge density calculations. A single layer of graphene between KBr and Ir(111) weakens the strong KBr/Ir interaction and the KBr islands recover to the expected cubic lattice. The work function

• computational suite [54][55]. The plane-wave expansion of the electronic wave function (charge density) was truncated using a 30 Ry (240 Ry) cutoff for the kinetic energy, as the pseudopotentials employed in this work were ultrasoft. We added a Gaussian smearing of 0.002 Rydberg to better describe the

• ][45][46]. To evaluate these charges, Bader identifies the atomic volume as the spatial region delimited zero flux surfaces, that is, the two-dimensional surfaces where the charge density is a minimum perpendicular to the surface. The charge enclosed in the Bader volume can be considered the total

Paper-based triboelectric nanogenerators and their applications: a review

• Jing Han,
• Nuo Xu,
• Yuchen Liang,
• Mei Ding,
• Junyi Zhai,
• Qijun Sun and
• Zhong Lin Wang

Beilstein J. Nanotechnol. 2021, 12, 151–171, doi:10.3762/bjnano.12.12

• phenomenon. However, the results were highly controversial [88][89]. Xu et al. [90] have proposed that the quantification of the surface charge density at different temperature values is a critical method for investigating this phenomenon. This can be readily explored as an effective tool to identify the

• electrode or into a charge-enriched friction layer to improve P-TENG output performances. As the TENG output performance closely depends on the triboelectric polarity of the friction layer, the engineering of friction layers with more charges with an opposite polarity induces a larger triboelectric charge

• density. Since paper is mainly composed of cellulose, which generally shows a tendency of losing electrons (electropositive), it is preferred to pair paper with a friction material that can easily gain electrons (electronegative) according to the triboelectric series [83][99][100]. Figure 4 depicts a

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