Detecting stable adsorbates of (1S)-camphor on Cu(111) with Bayesian optimization

• Jari Järvi,
• Patrick Rinke and
• Milica Todorović

Beilstein J. Nanotechnol. 2020, 11, 1577–1589, doi:10.3762/bjnano.11.140

• adsorption on the electronic structure. The Mulliken analysis of partial charges in the relaxed structures (Figure 7a and Table 2), in comparison to the charge distribution of an isolated camphor molecule, shows electron transfer from the adsorbed camphor molecule to the Cu substrate. The electron transfer

• molecule centers there, and the methyl groups point sideways. The DOS of class Ox structures feature hybridization of the electronic states and the electron transfer from the molecule to the substrate is significantly larger than in class Hy structures, with the largest contribution per atom from O. This

• indicates chemisorption of camphor via O to the Cu substrate. Conversely, in class Hy structures we observed the characteristics of physisorption. Class Hy structures have systematically lower adsorption energies, energy barriers, and electron transfer to the substrate, and their DOS resembles the HOMO and

Antimicrobial metal-based nanoparticles: a review on their synthesis, types and antimicrobial action

• Matías Guerrero Correa,
• Fernanda B. Martínez,
• Cristian Patiño Vidal,
• Camilo Streitt,
• Juan Escrig and
• Carol Lopez de Dicastillo

Beilstein J. Nanotechnol. 2020, 11, 1450–1469, doi:10.3762/bjnano.11.129

• in microorganism-catalyzing metabolic reactions and are a fundamental part of cellular structures. Proteomic analysis has revealed deregulation in proteins involved in nitrogen metabolism, electron transfer, and substance transport in the presence of CuO NPs [164]. Silver ions released from Ag NPs

Structure and electrochemical performance of electrospun-ordered porous carbon/graphene composite nanofibers

• Yi Wang,
• Yanhua Song,
• Chengwei Ye and
• Lan Xu

Beilstein J. Nanotechnol. 2020, 11, 1280–1290, doi:10.3762/bjnano.11.112

• surface area of CGCNFs, thereby significantly increasing their specific capacitance. In addition, the ordering of CGCNFs within the electrode improved the electron transfer efficiency, resulting in a higher specific capacitance. Keywords: carbon/graphene composite nanofibers; carbonization

• manner in the electrolyte, improving the electron transfer efficiency while reducing the charge transfer resistance. (ii) By applying a pore-forming agent to OPCGCNF the electrode specific surface area increases and acquires many mesopores, which significantly facilitates the transport of electrons. In

Nickel nanoparticles supported on a covalent triazine framework as electrocatalyst for oxygen evolution reaction and oxygen reduction reactions

• Secil Öztürk,
• Yu-Xuan Xiao,
• Dennis Dietrich,
• Beatriz Giesen,
• Juri Barthel,
• Jie Ying,
• Xiao-Yu Yang and
• Christoph Janiak

Beilstein J. Nanotechnol. 2020, 11, 770–781, doi:10.3762/bjnano.11.62

• the oxygen reduction reaction (ORR) are two crucial processes, which require improvements through the design of efficient catalysts. Both OER and ORR suffer from slow kinetics of the four-electron transfer process [2][3]. Thus, highly efficient electrocatalysts with enhanced performance need to be

Effect of Ag loading position on the photocatalytic performance of TiO₂ nanocolumn arrays

• Jinghan Xu,
• Yanqi Liu and
• Yan Zhao

Beilstein J. Nanotechnol. 2020, 11, 717–728, doi:10.3762/bjnano.11.59

• affords specimens with different electron transfer characteristics than those of rutile and anatase TiO2, and the as-prepared films fit the template well. When Ag particles are combined with TiO2, the photocatalytic performance of the film can be significantly enhanced by hot electron injection [24

Synthesis and enhanced photocatalytic performance of 0D/2D CuO/tourmaline composite photocatalysts

• Changqiang Yu,
• Min Wen,
• Zhen Tong,
• Shuhua Li,
• Yanhong Yin,
• Xianbin Liu,
• Yesheng Li,
• Tongxiang Liang,
• Ziping Wu and
• Dionysios D. Dionysiou

Beilstein J. Nanotechnol. 2020, 11, 407–416, doi:10.3762/bjnano.11.31

• with reference to pristine CuO (3.24 ns) (Table 1). This result indicated that an additional nonradiative decay pathway may be opened through the electron transfer from CuO to tourmaline [35]. The above analyses confirmed the role of tourmaline in suppressing the recombination of photoinduced charge

Nonequilibrium Kondo effect in a graphene-coupled quantum dot in the presence of a magnetic field

• Levente Máthé and
• Ioan Grosu

Beilstein J. Nanotechnol. 2020, 11, 225–239, doi:10.3762/bjnano.11.17

• potential. This electron transfer determines a finite relaxation time τσ, that can be calculated using second-order perturbation theory [12][13]. It can be intuitively introduced by substituting δ in the self-energies Σiσ(ω) with [31][34]. By considering a small value for e.g., = δ ≈ 10−7 [31], the

Mobility of charge carriers in self-assembled monolayers

• Zhihua Fu,
• Tatjana Ladnorg,
• Hartmut Gliemann,
• Alexander Welle,
• Asif Bashir,
• Michael Rohwerder,
• Qiang Zhang,
• Björn Schüpbach,
• Andreas Terfort and
• Christof Wöll

Beilstein J. Nanotechnol. 2019, 10, 2449–2458, doi:10.3762/bjnano.10.235

• stability resulting from the formation of a strong S–Au bond grafting the thiolates to the substrate. In selected cases, very high structural quality has been reported, with ordered domains in the size range of several 100 nm [11]. Previous research into the electron transfer within SAMs focused on the

Polyvinylpyrrolidone as additive for perovskite solar cells with water and isopropanol as solvents

• Chen Du,
• Shuo Wang,
• Xu Miao,
• Wenhai Sun,
• Yu Zhu,
• Chengyan Wang and
• Ruixin Ma

Beilstein J. Nanotechnol. 2019, 10, 2374–2382, doi:10.3762/bjnano.10.228

• cm2. All samples were measured in air (25 °C). Results and Discussion Figure 1 illustrates how the PSCs were prepared. The PSCs of this study comprises a SnO2 electron transfer layer (ETL), a MAPbI3 coating, a Spiro-OMeTAD HTL as well as a gold electrode. In a first step, the perovskite layer was

• -Fermi level in the contacted perovskite and electron transfer material, but also by the defect-induced recombination in the electron transport channels [33]. It is clear that perovskite solar cells using a PVP-containing aqueous lead nitrate precursor solution will lead to an increase in Voc. The Voc of

Mannosylated brush copolymers based on poly(ethylene glycol) and poly(ε-caprolactone) as multivalent lectin-binding nanomaterials

• Stefania Ordanini,
• Wanda Celentano,
• Anna Bernardi and
• Francesco Cellesi

Beilstein J. Nanotechnol. 2019, 10, 2192–2206, doi:10.3762/bjnano.10.212

• functionality can influence the macromolecule bioactivity [8]. Controlled radical polymerization (CRP) techniques, such as atom transfer radical polymerization (ATRP), reversible addition fragmentation chain transfer (RAFT) polymerization, single-electron transfer living radical polymerization (SET-LRP) and

Improved adsorption and degradation performance by S-doping of (001)-TiO₂

• Xiao-Yu Sun,
• Xian Zhang,
• Xiao Sun,
• Ni-Xian Qian,
• Min Wang and
• Yong-Qing Ma

Beilstein J. Nanotechnol. 2019, 10, 2116–2127, doi:10.3762/bjnano.10.206

• the differently exposed crystal faces have different atomic and electronic structures and surface energy. This results in differences in the adsorption capacity regarding pollutant molecules and in the electron transfer properties of TiO2 [8][9]. It is widely believed that the exposed (001) face has a

TiO₂/GO-coated functional separator to suppress polysulfide migration in lithium–sulfur batteries

• Ning Liu,
• Lu Wang,
• Taizhe Tan,
• Yan Zhao and
• Yongguang Zhang

Beilstein J. Nanotechnol. 2019, 10, 1726–1736, doi:10.3762/bjnano.10.168

• . The excellent adhesion between TiO2 nanoparticles and GO sheets resulted in enhanced conductivity, which is highly desirable for an efficient electron transfer process. The Li/S battery with a TiO2/GO-coated separator exhibited a high initial discharge capacity of 1102.8 mAh g−1 and a 100th cycle

• and GO sheets exhibit excellent adhesion, which ensures efficient electron transfer from the GO sheet to nanoporous TiO2. The use of TiO2/GO composites as an interlayer can greatly suppress the migration of polysulfides due to their physical and chemical interactions with dissolved polysulfides

Kelvin probe force microscopy work function characterization of transition metal oxide crystals under ongoing reduction and oxidation

• Dominik Wrana,
• Karol Cieślik,
• Wojciech Belza,
• Christian Rodenbücher,
• Krzysztof Szot and
• Franciszek Krok

Beilstein J. Nanotechnol. 2019, 10, 1596–1607, doi:10.3762/bjnano.10.155

• superior for many cases in both fundamental research and applications, such as the identification of adsorption geometries of molecules on oxide surfaces [7], probing energetics of electron transfer within single molecules [8] and operation of prototypical electronic devices, such as perovskite solar cells

Materials nanoarchitectonics at two-dimensional liquid interfaces

• Katsuhiko Ariga,
• Michio Matsumoto,
• Taizo Mori and
• Lok Kumar Shrestha

Beilstein J. Nanotechnol. 2019, 10, 1559–1587, doi:10.3762/bjnano.10.153

• structural characteristics of those without intercalator compounds were preserved in the presence of naphthalene. In addition, intercalation of the polycyclic molecules significantly modified the spectral emissions of the fullerene assemblies probably due to effects of molecular packing on the electron

• transfer within the assembled structures. Acharya, Shrestha, and co-workers decorated one-dimensional C60 nanorods with zero-dimensional Ag nanoparticles that were used as substrates for surface-enhanced Raman scattering (SERS) to detect model targets such as rhodamine 6G with high sensitivity [246]. This

High-temperature resistive gas sensors based on ZnO/SiC nanocomposites

• Vadim B. Platonov,
• Marina N. Rumyantseva,
• Alexander S. Frolov,
• Alexey D. Yapryntsev and
• Alexander M. Gaskov

Beilstein J. Nanotechnol. 2019, 10, 1537–1547, doi:10.3762/bjnano.10.151

• interpreted in the context of the assumption of the formation of an n–n heterojunction at the ZnO/SiC interface, resulting in electron transfer from SiC to ZnO. The increase in the concentration of electrons in the near-surface layer of ZnO leads to an increase in the concentration of chemisorbed oxygen on

Synthesis of P- and N-doped carbon catalysts for the oxygen reduction reaction via controlled phosphoric acid treatment of folic acid

• Rieko Kobayashi,
• Takafumi Ishii,
• Yasuo Imashiro and
• Jun-ichi Ozaki

Beilstein J. Nanotechnol. 2019, 10, 1497–1510, doi:10.3762/bjnano.10.148

• ]. Strelko et al. used theoretical methods to establish an interesting relationship between the bandgap energy of a given catalyst and its ability to promote reactions involving electron transfer [21]. Moreover, P-doping of graphitic layers was revealed to have an effect similar to that of N-doping and hence

• of P2 and P3 species, i.e., by the contents of P atoms directly bonded to one or two carbon atoms as shown in Figure 9. Previously, the enhanced ORR activity of PN-doped carbon materials was ascribed to an increase of asymmetric spin density [24][25][39], electron transfer from N or P to C [36

• relationship between the work function of cathode catalysts and their ORR activity demonstrated that the former parameter strongly influences the latter and affects electron transfer in elementary reaction steps. As the Fermi level is the highest-energy electronic level of a given solid, the ORR reaction

Hierarchically structured 3D carbon nanotube electrodes for electrocatalytic applications

• Pei Wang,
• Katarzyna Kulp and
• Michael Bron

Beilstein J. Nanotechnol. 2019, 10, 1475–1487, doi:10.3762/bjnano.10.146

• series resistance to promote electron transfer. CNT–CNT composites have been successfully employed as catalyst supports. Kundu et al. reported that Pt supported on such hierarchical structures showed enhanced surface atomic concentration, indicating an improved Pt dispersion. The oxygen reduction

• . Additionally, the Fe nanoparticles seem to prefer to nucleate on cross junctions between primary CNTs, as observed from Figure S3a, which could be caused by improvement of electron transfer or preferential nucleation sites. The growth of secondary CNTs using the same optimized gas mixture as above and a gas

• transfer resistance with respect to the primary CNTs as determined by electrochemical impedance spectroscopy. Thus, we speculate that the improvement in Pt dispersion is due to a better conductivity within the 3D network and a facilitated electron transfer, which may facilitate Pt nucleation at the CNT

Selective gas detection using Mn₃O₄/WO₃ composites as a sensing layer

• Yongjiao Sun,
• Zhichao Yu,
• Wenda Wang,
• Pengwei Li,
• Gang Li,
• Wendong Zhang,
• Lin Chen,
• Serge Zhuivkov and
• Jie Hu

Beilstein J. Nanotechnol. 2019, 10, 1423–1433, doi:10.3762/bjnano.10.140

• gases (H2S, NH3 or CO), there are more reducing gas molecules that can react with the oxygen species absorbed on the surface of WO3 and more electrons can be released back to the conduction band (Figure 12d). Therefore, the resistance further changes due to the higher electron transfer between the

Warped graphitic layers generated by oxidation of fullerene extraction residue and its oxygen reduction catalytic activity

• Machiko Takigami,
• Rieko Kobayashi,
• Takafumi Ishii,
• Yasuo Imashiro and
• Jun-ichi Ozaki

Beilstein J. Nanotechnol. 2019, 10, 1391–1400, doi:10.3762/bjnano.10.137

• maximum specific ORR activity after 1 h of oxidation time. WGLs were found to lower the heat of adsorption for O2 and to increase the occurrence of heterogeneous electron transfer. Keywords: carbon alloy catalysts; fullerene extraction residue; oxygen reduction reaction (ORR); polymer electrolyte fuel

• the amount of surface functional groups. The details of this technique are described elsewhere [45][46]. Electrochemical techniques Cyclic voltammetry was used to evaluate the heterogeneous electron transfer rate of the carbons in an aqueous solution consisting of 6 × 10−3 mol/L K3[Fe(CN)6] and 1 mol

• between the oxidation peak and the reduction peak was defined as ΔEP, an indicator of the heterogeneous electron transfer rate. When the ΔEP value is close to 57 mV, the system is reversible, meaning that the electron transfer at the interface between the electrode and the electrolyte is very high. On the

Highly ordered mesoporous silica film nanocomposites containing gold nanoparticles for the catalytic reduction of 4-nitrophenol

• Mohamad Azani Jalani,
• Leny Yuliati,
• Siew Ling Lee and
• Hendrik O. Lintang

Beilstein J. Nanotechnol. 2019, 10, 1368–1379, doi:10.3762/bjnano.10.135

• exceeded that of 4-NP (and remains constant throughout the experiment), both films were found to follow pseudo-first order kinetics [41]. This reduction followed the Langmuir–Hinshelwood model, where both reactants (4-NP and BH4−) were adsorbed on the AuNP surface at a fast rate. In the next step, electron

• transfer from the hydride ion to the AuNPs occurred to give the hydrogen atom that later will react with 4-NP. Finally, 4-AP was formed and dissociated from the AuNP surface [42]. The presence of an isobestic point in Figure 9a,c further proved that only one product, 4-AP, was formed [43][44]. Compared to

Multicomponent bionanocomposites based on clay nanoarchitectures for electrochemical devices

• Giulia Lo Dico,
• Bernd Wicklein,
• Lorenzo Lisuzzo,
• Giuseppe Lazzara,
• Pilar Aranda and
• Eduardo Ruiz-Hitzky

Beilstein J. Nanotechnol. 2019, 10, 1303–1315, doi:10.3762/bjnano.10.129

• nanofillers to ensure the mechanical strength and electrical conductivity of the prepared bionanocomposite films and foams [26]. Moreover, MWCNTs are supposed to act as nanowires improving the contact between the active site of the immobilized enzymes and an electrode surface via direct electron transfer [39

• operational stability of EBCs [37][41]. Herein, the performance of the biosensor was evaluated by cyclic voltammetry exploiting the mediated electron transfer (MET) mechanism and the power density of the assembled biofuel cell is examined through polarization curves obtained with linear sweep voltammetry in

• the direct electron transfer (DET) mode. Results and Discussion Preparation of bionanocomposite films and foams The preparation of multicomponent nanoarchitectured materials used as functional nanofiller in the further preparation of bioactive and conducting nanocomposites was carried out by mixing of

Molecular attachment to a microscope tip: inelastic tunneling, Kondo screening, and thermopower

• Rouzhaji Tuerhong,
• Mauro Boero and
• Jean-Pierre Bucher

Beilstein J. Nanotechnol. 2019, 10, 1243–1250, doi:10.3762/bjnano.10.124

• gaps where the tunneling barrier asymmetry at the STM–molecule junction becomes less critical. This asymmetry in the spectrum may suggest that two different vibration-assisted electron-transfer processes apparently compete, one involving a vibration-mediated Kondo effect, and the other, an inelastic

Pure and mixed ordered monolayers of tetracyano-2,6-naphthoquinodimethane and hexathiapentacene on the Ag(100) surface

• Robert Harbers,
• Timo Heepenstrick,
• Dmitrii F. Perepichka and
• Moritz Sokolowski

Beilstein J. Nanotechnol. 2019, 10, 1188–1199, doi:10.3762/bjnano.10.118

• the frontier orbitals of the respective molecules we refer to Supporting Information File 1.) Accordingly, in the gas phase one does not expect spontaneous electron transfer from HTPEN to TNAP. This in contrast to the previously studied situation for the TTT/TNAP mixed structure on the Au(111) surface

• [17]. However, in the case of HTPEN/TNAP on the Ag(100) surface studied here, the electron transfer (or partial charge transfer) could still occur due to the Coulomb interactions of the resulting molecular ions and due to the hybridization of molecular states with those of the metallic Ag surface

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

• electron-donating ability of the LaS layer. Even in the presuming case of the single electron transfer from La2+ to Ta5+, the number of La atoms within the (LaS)1.11TaS2 misfit remains too excessive for the number of Ta atoms. Several options can be suggested for accommodation of excessive electrons within

Scavenging of reactive oxygen species by phenolic compound-modified maghemite nanoparticles

• Małgorzata Świętek,
• Yi-Chin Lu,
• Rafał Konefał,
• Liliana P. Ferreira,
• M. Margarida Cruz,
• Yunn-Hwa Ma and
• Daniel Horák

Beilstein J. Nanotechnol. 2019, 10, 1073–1088, doi:10.3762/bjnano.10.108

• particles. Antioxidant properties of chitosans modified with phenolic compounds The FC assay for colorimetric determination of total phenolic content in samples of natural origin is based on the electron transfer between a phenolic compound and a phosphomolybdic/phosphotungstic complex that emits at a