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

• (CBM) and valence band maximum (VBM) are located at the K point, which is consistent with previous DFT calculations [39]. 1T'-MoS2 is a narrow-bandgap semiconductor with a bandgap of 0.15 eV. Various intermediates, Li2Sx (x = 1–8), of LPSs were observed in Li–S batteries [40]. The optimized atomic

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

• valence bonding or quenching of magnetic moments [73][74][75][76][77]. Since the quantitative estimation of the Kondo effect is beyond the limits of mean-field theories (such as DFT) we can provide a qualitative discussion based on experimental results for the Kondo effect in similar systems. It was shown

A carrier velocity model for electrical detection of gas molecules

• Ali Hosseingholi Pourasl,
• Sharifah Hafizah Syed Ariffin,
• Mohammad Taghi Ahmadi,
• Razali Ismail and
• Niayesh Gharaei

Beilstein J. Nanotechnol. 2019, 10, 644–653, doi:10.3762/bjnano.10.64

• and valence band can be introduced. The matrix element between neighbouring carbon atoms as upper diagonal or lower diagonal of the matrix was assumed to be equal to t, whereas other elements are assumed to be equal to zero [23][24]. In our model, the adsorption of gas molecules on a second atom (we

• are no electrons hopping from the valence band to the conduction band at the energy gap, as there are no energy states at the band gap. In addition to the DOS, we first need to calculate the carrier concentration and then we can calculate the carrier velocity. In order to calculate carrier

• of gas molecules can modulate the AGNR band structure and modify the energy band gap. Based on Figure 5b, the band gap increased after CO adsorption on the AGNR. The conduction band level increased to EC = 0.0952 eV above the Fermi level, and the valence band decreased to EV = −0.0975 eV below the

Hydrophilicity and carbon chain length effects on the gas sensing properties of chemoresistive, self-assembled monolayer carbon nanotube sensors

• Juan Casanova-Cháfer,
• Carla Bittencourt and
• Eduard Llobet

Beilstein J. Nanotechnol. 2019, 10, 565–577, doi:10.3762/bjnano.10.58

• it quite reactive with the sensor surface. Oxygen acts as an electron acceptor due to its lone pairs of valence electrons and can be adsorbed on the sensor surface, p-doping CNTs [39]. To correctly identify the response towards target species (i.e., nitrogen dioxide and ethanol), the oxygen

Mo-doped boron nitride monolayer as a promising single-atom electrocatalyst for CO₂ conversion

• Qianyi Cui,
• Gangqiang Qin,
• Weihua Wang,
• Lixiang Sun,
• Aijun Du and
• Qiao Sun

Beilstein J. Nanotechnol. 2019, 10, 540–548, doi:10.3762/bjnano.10.55

• of gases on BN nanomaterials [35][45][47]. The transition metal atoms were produced by density functional semi-core pseudopotential (DSPP), and the valence electronic structure is shown in Supporting Information File 1, Table S7, in which the core electrons are replaced by a single effective

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

• excellent antioxidant properties, ideal for applications such as water-gas shift catalysis [40], combustion catalysis [41], oxygen ion conductors, and solid-oxide fuel cells [42]. Due to the valence and oxygen defect properties of cerium(IV) oxide, nanoparticles of this material are also used as efficient

A porous 3D-RGO@MWCNT hybrid material as Li–S battery cathode

• Yongguang Zhang,
• Jun Ren,
• Yan Zhao,
• Taizhe Tan,
• Fuxing Yin and
• Yichao Wang

Beilstein J. Nanotechnol. 2019, 10, 514–521, doi:10.3762/bjnano.10.52

• (SmartLab, Rigaku Corporation) with Cu Ka radiation. X-ray photoelectron spectroscopy (XPS, Shimadzy Axis Ultra) was applied to investigate the chemical valence states and compositions of the sample. Scanning electron microscopy (SEM, Hitachi S4800) and high-resolution transmission electron microscopy

Reduced graphene oxide supported C₃N₄ nanoflakes and quantum dots as metal-free catalysts for visible light assisted CO₂ reduction

• Md Rakibuddin and
• Haekyoung Kim

Beilstein J. Nanotechnol. 2019, 10, 448–458, doi:10.3762/bjnano.10.44

• conduction band (CB) and valence band (VB) edge positions, exhibit efficient charge separation, have a large surface area, and it must be cost effective. Considering the above factors, nontoxic metal-free catalysts, such as graphitic carbon nitride (g-C3N4) and reduced graphene oxide (rGO) have received wide

• by X-ray photoelectron spectroscopy (XPS) analysis, which is carried out to study the surface composition and the interactions and valence states of the elements present in the hybrid materials. The full XPS survey spectrum of the GCN-5 hybrid material reveals the presence of C, N and O, while no

• NFs and QDs are also calculated from UV–visible diffuse reflectance spectra (Supporting Information File 1, Figure S5), which are found to be 2.06, 2.15, 2.20, 2.22, 2.32 and 2.41 eV for the GCN-5, GCN-20, GCN-10, CN-5, CN-20 and CN-10 samples, respectively. The conduction and valence band potential

Integration of LaMnO_3+δ films on platinized silicon substrates for resistive switching applications by PI-MOCVD

• Raquel Rodriguez-Lamas,
• Dolors Pla,
• Odette Chaix-Pluchery,
• Benjamin Meunier,
• Fabrice Wilhelm,
• Andrei Rogalev,
• Laetitia Rapenne,
• Xavier Mescot,
• Quentin Rafhay,
• Hervé Roussel,
• Michel Boudard,
• Carmen Jiménez and
• Mónica Burriel

Beilstein J. Nanotechnol. 2019, 10, 389–398, doi:10.3762/bjnano.10.38

• -based devices fabricated using optimized growth strategies. Keywords: manganite; metal organic chemical vapour deposition (MOCVD); resistive switching; thin film; valence-change memory; Introduction Resistive switching (RS) denotes the phenomena occurring in capacitor-like heterostructures (metal

• films is expected to be compensated by a mixed valence state of the manganese cation (Mn3+/Mn4+). Particularly, RS in LMO has been reported to be larger for oxygen vacancy-rich films [6][7]. Depending on the oxygen content (δ), the LMO structure changes from orthorhombic to rhombohedral at high δ [8

• metallization memory chips, ions from the electrode (such as Cu or Ag) [18][19] migrate to the other electrode generating a filament across the memristive material. Another example is the case of valence-change memories, in which the nature of the contact varies depending on the difference between the work

Sub-wavelength waveguide properties of 1D and surface-functionalized SnO₂ nanostructures of various morphologies

• Venkataramana Bonu,
• Binaya Kumar Sahu,
• Arindam Das,
• Sankarakumar Amirthapandian,
• Sandip Dhara and
• Harish C. Barshilia

Beilstein J. Nanotechnol. 2019, 10, 379–388, doi:10.3762/bjnano.10.37

• 2.6 eV are assigned to band edge transitions. Earlier, it was shown from DFT calculations using an all-electron Gaussian approximation that formation of an acceptor state close to 1 eV above the valence band occurs due to the stable oxygen vacancies [31]. Thus, the above mentioned studies point out

• belt-shaped NWs. Visible luminescence in SnO2 NWs was observed and attributed to the transitions between shallow donor states to an acceptor level, which is nearly ≈1 eV above the valence band. FESEM images of the (a) square-shaped NWs grown at 950 °C, (b) cylindrical- shaped NWs grown at 1000 °C

Intuitive human interface to a scanning tunnelling microscope: observation of parity oscillations for a single atomic chain

• Sumit Tewari,
• Jacob Bakermans,
• Christian Wagner,
• Federica Galli and
• Jan M. van Ruitenbeek

Beilstein J. Nanotechnol. 2019, 10, 337–348, doi:10.3762/bjnano.10.33

• valence electrons in metals [34]. It is possible to image the atomic configuration by functionalizing the STM tip by adsorbates (for example CO molecules [35] or other foreign adsorbates [36]) at the tip apex, and by quantum point contact microscopy [37]. To keep the surface clean we did not introduce

A Ni(OH)₂ nanopetals network for high-performance supercapacitors synthesized by immersing Ni nanofoam in water

• Donghui Zheng,
• Man Li,
• Yongyan Li,
• Chunling Qin,
• Yichao Wang and
• Zhifeng Wang

Beilstein J. Nanotechnol. 2019, 10, 281–293, doi:10.3762/bjnano.10.27

• between active materials and electrolyte, for which transition metal oxides/hydroxides with multiple valence are used as electrode materials [8][9]. EDLCs hold a high power density and long cycling stability, but their practical application is limited by the low energy density. In comparison, pseudo

• , Bruker D8) with Cu Kα radiation. Chemical composition and valence state of the products were studied using X-ray photoelectron spectroscopy (XPS, Thermo Fisher Scientific). The surface morphology of the samples was characterized using a scanning electron microscope (SEM, Nova nanoSEM 450) equipped with

Raman study of flash-lamp annealed aqueous Cu₂ZnSnS₄ nanocrystals

• Yevhenii Havryliuk,
• Oleksandr Selyshchev,
• Mykhailo Valakh,
• Alexandra Raevskaya,
• Oleksandr Stroyuk,
• Constance Schmidt,
• Volodymyr Dzhagan and
• Dietrich R. T. Zahn

Beilstein J. Nanotechnol. 2019, 10, 222–227, doi:10.3762/bjnano.10.20

• valence states (Cu+, Zn2+, Sn4+, S2−), Cu(II) was reduced to Cu(I) and Sn(II) was oxidized to Sn(IV) in situ during the NC formation. The concentration of the as-prepared CZTS colloids was around 30 g/L and can be further increased by solvent evaporation or a precipitation/redispersion procedure [21

Amorphous Ni_xCo_yP-supported TiO₂ nanotube arrays as an efficient hydrogen evolution reaction electrocatalyst in acidic solution

• Yong Li,
• Peng Yang,
• Bin Wang and
• Zhongqing Liu

Beilstein J. Nanotechnol. 2019, 10, 62–70, doi:10.3762/bjnano.10.6

• NiCoP, there might be other phases of Ni, Co, or P. To further probe the surface chemical composition and valence states in the NixCoyP/TNAs, we conducted X-ray photoelectron spectroscopy measurements. In Figure 5a, TiO2 shows two peaks, the Ti 2p3/2 peak at 458.3 eV and Ti 2p1/2 at 464.1 eV, along with

Surface plasmon resonance enhancement of photoluminescence intensity and bioimaging application of gold nanorod@CdSe/ZnS quantum dots

• Siyi Hu,
• Yu Ren,
• Yue Wang,
• Jinhua Li,
• Junle Qu,
• Liwei Liu,
• Hanbin Ma and
• Yuguo Tang

Beilstein J. Nanotechnol. 2019, 10, 22–31, doi:10.3762/bjnano.10.3

• and they show excellent quantum confinement for charge carrier and lattice mismatch. In such cases, the energy range of the QDs depends on the relative conduction and valence band offsets for the two materials, and this characteristic can enable many chemical materials or biomolecules to conjugate

• nanomaterials are irradiated with light of a certain wavelength, the valence electrons transition back to the conduction band. Most of the conduction band electrons fall back into the deep electron traps and nonradiative transitions take the form of quenching. Semiconductor QDs with relatively shallow surface

• electron traps and holes can easily capture electrons to the conduction band. At the same time, the transition radiation returns to the valence band, emitting a photon. The PL characteristics are, therefore, better than in materials which have deep traps in the bulk semiconductor material. This finding

Zn/F-doped tin oxide nanoparticles synthesized by laser pyrolysis: structural and optical properties

• Florian Dumitrache,
• Iuliana P. Morjan,
• Elena Dutu,
• Ion Morjan,
• Claudiu Teodor Fleaca,
• Monica Scarisoreanu,
• Alina Ilie,
• Marius Dumitru,
• Cristian Mihailescu,
• Adriana Smarandache and
• Gabriel Prodan

Beilstein J. Nanotechnol. 2019, 10, 9–21, doi:10.3762/bjnano.10.2

• states and VB/CB” (valence band/conduction band) “by adjusting the position of bandgap to obtain an optimized narrow value” [23]. Thus, using a solution-based single-source precursor (Er-doped KSnF3), oxygen-vacancy-rich nanocrystals of co-doped Er and F SnO2 were obtained at low temperature with an

Colloidal chemistry with patchy silica nanoparticles

• Pierre-Etienne Rouet,
• Cyril Chomette,
• Laurent Adumeau,
• Etienne Duguet and
• Serge Ravaine

Beilstein J. Nanotechnol. 2018, 9, 2989–2998, doi:10.3762/bjnano.9.278

• report a new route to synthesize clusters, or so-called colloidal molecules (CMs), which mimic the symmetry of molecular structures made of one central atom. We couple site-specifically functionalized patchy nanoparticles, i.e., valence-endowed colloidal atoms (CAs), with complementary nanospheres

• nanoparticles; valence; Introduction The molecular world is essentially based on the covalent bonding of atoms displaying valences of 1, 2 (sp), 3 (sp2), 4 (sp3) and, to a lesser extent, 5 (sp3d) and 6 (sp3d2). The molecules of water, ammonia and methane, in which the valence orbitals of the central atom adopt

• , particles with heterogeneously surface regions in specific positions [6][7][8][9][10][11][12]. Bonding between particles occurs through patch–patch interactions so that the positioning of the patches can endow particles with valence. Patchy particles with various patch motifs were produced by taking benefit

Nanostructure-induced performance degradation of WO₃·nH₂O for energy conversion and storage devices

• Zhenyin Hai,
• Mohammad Karbalaei Akbari,
• Zihan Wei,
• Danfeng Cui,
• Chenyang Xue,
• Hongyan Xu,
• Philippe M. Heynderickx,
• Francis Verpoort and
• Serge Zhuiykov

Beilstein J. Nanotechnol. 2018, 9, 2845–2854, doi:10.3762/bjnano.9.265

• injection of electrons as described in the following equation [38]: The transition of W between the valence states of W6+ and W5+ is the basis of both electrochemical energy storage and electrochromic behavior. As shown in Figure 6a, in all cases the cathodic current rises when the potential was scanned to

Graphene-enhanced metal oxide gas sensors at room temperature: a review

• Dongjin Sun,
• Yifan Luo,
• Marc Debliquy and
• Chao Zhang

Beilstein J. Nanotechnol. 2018, 9, 2832–2844, doi:10.3762/bjnano.9.264

• of the p–n heterojunction is shown in Figure 1, Ec and Ev are the energies of conduction band and valence band of the two components, respectively, while the Fermi level energy (Ef) is between these two bands. It can be seen from Figure 1 that the work function of rGO is lower than that of SnO2

• from WO3 and move the Fermi level of WO3 from the conduction band to the valence band. The reactions mentioned above shift the work function of WO3 [91] to be adjacent to graphene, leading to the electrons moving easily at the interfaces of WO3 and graphene. Because of the continuous loss of electrons

Variation of the photoluminescence spectrum of InAs/GaAs heterostructures grown by ion-beam deposition

• Alexander S. Pashchenko,
• Leonid S. Lunin,
• Eleonora M. Danilina and
• Sergei N. Chebotarev

Beilstein J. Nanotechnol. 2018, 9, 2794–2801, doi:10.3762/bjnano.9.261

• that with an increase in Bi content in GaAs, an increase in the intensity of photoluminescence is observed in spite of a decrease in InAs QD density (Figure 4b,c). The effect is due to the fact that Bi incorporation leads to valence-band splitting of GaAs, shifting the energy maximum of heavy holes

• deep into the energy gap. This induces a change in the profiles of the valence and the conduction bands of the InAs/GaAs heterostructure. The InAs/GaAs1−xBix heterointerface forms a type-II misaligned heterojunction [60]. In accordance with the band diagram in Figure 5, the profile of the valence band

Contactless photomagnetoelectric investigations of 2D semiconductors

• Marian Nowak,
• Marcin Jesionek,
• Barbara Solecka,
• Piotr Szperlich,
• Piotr Duka and
• Anna Starczewska

Beilstein J. Nanotechnol. 2018, 9, 2741–2749, doi:10.3762/bjnano.9.256

• valence bands); (c) product of mobility and lifetime (left axis) as well as the mobility (right axis) of electrons (black squares) and holes (red triangles) vs electric field (bottom axis) and concentration of electrostatically induced carriers (top axis); (d) difference between electron and hole

Oriented zinc oxide nanorods: A novel saturable absorber for lasers in the near-infrared

• Pavel Loiko,
• Tanujjal Bora,
• Josep Maria Serres,
• Haohai Yu,
• Magdalena Aguiló,
• Francesc Díaz,
• Uwe Griebner,
• Valentin Petrov,
• Xavier Mateos and
• Joydeep Dutta

Beilstein J. Nanotechnol. 2018, 9, 2730–2740, doi:10.3762/bjnano.9.255

• , where M = Co, Mn, Ni or Cu). The energy levels of the intrinsic defects are located between the valence and conduction bands and have different ionization energies ranging from ≈0.05 to 2.8 eV [10]. Various emissions (fluorescence) in the visible (green, yellow and red) originating from the defects in

• were grown hydrothermally (in oxygen-rich conditions) one can expect the presence of zinc vacancies that have a low formation energy under such conditions. The singly charged zinc vacancy (VZn−1) is typically located at 0.8–0.9 eV above the ZnO valence band (VB) [9][33][34]. This defect site can be a

Impact of the anodization time on the photocatalytic activity of TiO₂ nanotubes

• Jesús A. Díaz-Real,
• Geyla C. Dubed-Bandomo,
• Juan Galindo-de-la-Rosa,
• Luis G. Arriaga,
• Janet Ledesma-García and
• Nicolas Alonso-Vante

Beilstein J. Nanotechnol. 2018, 9, 2628–2643, doi:10.3762/bjnano.9.244

• ca. 20% compared to the measurement in N2-saturated electrolyte, revealing the scavenging action of dissolved oxygen. While electrons are generated and collected in the outer circuit, electron vacancies (holes, h+) are left behind in the valence band of the material, which have an elevated oxidation

• , Supporting Information File 1). The data demonstrate good agreement and corroborate the relations between the optical and electrical parameters and ta. Taking into account the information from these experiments, a scheme for the energy band positions of the TNTs can be generated (Figure 8b). Both valence and

• in the absorption edge. The energy levels of conduction and valence band show a similar trend, moving towards more positive potentials (in the electrochemical scale). Since the conduction band was assumed to merge with Efb, the calculations for the valence band value were carried out only in terms of

Enhancement of X-ray emission from nanocolloidal gold suspensions under double-pulse excitation

• Wei-Hung Hsu,
• Frances Camille P. Masim,
• Armandas Balčytis,
• Hsin-Hui Huang,
• Tetsu Yonezawa,
• Aleksandr A. Kuchmizhak,
• Saulius Juodkazis and
• Koji Hatanaka

Beilstein J. Nanotechnol. 2018, 9, 2609–2617, doi:10.3762/bjnano.9.242

• . However, the creation of a solvated electron out of the valence band requires only 6.2 eV, which was used in the estimations [38]. The ENZ state is created when the electron density nENZ ≈ εincr (Equation 1); for water εi = n2 = 1.77, defined by the refractive index n = 1.33 at the excitation wavelength λ

Au–Si plasmonic platforms: synthesis, structure and FDTD simulations

• Anna Gapska,
• Marcin Łapiński,
• Paweł Syty,
• Wojciech Sadowski,
• Józef E. Sienkiewicz and
• Barbara Kościelska

Beilstein J. Nanotechnol. 2018, 9, 2599–2608, doi:10.3762/bjnano.9.241

• the obtained nanostructures and valence states of Au was measured using X-ray photoelectron spectroscopy (XPS) with an Omicron NanoTechnology spectrometer with 128-channel collector. XPS measurements were performed at room temperature under ultra-high vacuum conditions, below 1.1 × 10−8 mbar. The

• between them can be different. In turn, this can be a driving force for the dewetting process [15][22]. XPS was used to determine the valence state of Au films and Au nanostructures. The Au 4f doublet of the 2.8 nm thin film after annealing at 550 °C for 15 min is presented in Figure 8. For comparison the