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

• structures of Si- and S-doped phosphorene without spin polarization always show metallic states suggesting the bandgap is insensitive to the in-plane size of the supercell and the dopant content. However, the results are fairly different once the spin polarization is taken into account. The band structures

• for the Si-doped phosphorene with 2 × 2 × 1 supercell and a dopant content of 6.25%. The magnetic moment induced by 3p orbit–spin splitting increases with the in-plane size of the supercell, and the largest magnetic moment can be found in 4 × 4 × 1 and 5 × 5 × 1 supercells. These findings offer an

• supercell size due to decreasing deformation and dopant content. In the following, we discuss the magnetic and electronic properties of the stable doped phosphorenes induced by the deformation and impurity concentration. Band structure without spin polarization Before investigating the magnetic properties

Structural and optical properties of penicillamine-protected gold nanocluster fractions separated by sequential size-selective fractionation

• Xiupei Yang,
• Zhengli Yang,
• Fenglin Tang,
• Jing Xu,
• Maoxue Zhang and
• Martin M. F. Choi

Beilstein J. Nanotechnol. 2019, 10, 955–966, doi:10.3762/bjnano.10.96

• F36%). This is qualitatively consistent with rotational spin relaxation (T2); that is, the larger 3.0 nm average core size AuNCs (Figure 5, spectrum 3) are significantly slower than the smallest 1.2 nm average core size (Figure 5, spectrum 6) [26]. Further expansion of the packing density gradient

• (2p1/2). Each doublet has a peak area ratio of 2:1 and a splitting of ≈1.2 eV that is consistent with the results determined theoretically by the spin–orbit splitting effect. The sulfur binding energy for S 2p3/2 at 162 eV suggests that all the sulfur atoms are bound to gold as a thiolate species [34

Co-doped MnFe₂O₄ nanoparticles: magnetic anisotropy and interparticle interactions

• Bagher Aslibeiki,
• Parviz Kameli,
• Hadi Salamati,
• Giorgio Concas,
• Maria Salvador Fernandez,
• Alessandro Talone,
• Giuseppe Muscas and
• Davide Peddis

Beilstein J. Nanotechnol. 2019, 10, 856–865, doi:10.3762/bjnano.10.86

• radius, magnetic nanoparticles (NPs) organize themselves as a single magnetic domain, where all magnetic moments align in the same direction forming a “super spin” with a magnitude of 103–104 Bohr magnetons [12]. Due to the similarity of such superspins with atomic magnetic moments, even if with

• temperature Tg. Both the Vogel–Fulcher and power-law model fit our data well. Hence, to confirm possible spin glass dynamics, the investigation has been extended to non-equilibrium dynamics, i.e., memory effects. As a reference curve, a conventional ZFC magnetization vs temperature curve has been measured

• general increment of the anisotropy. The Co2+ ions produced a marked magneto-crystalline contribution to the anisotropy in the spinel structure, more than Mn2+ and Mn3+ ions. Indeed, the crystal field does not entirely quench its orbital magnetic moment, allowing for a spin–orbital coupling responsible

Periodic Co/Nb pseudo spin valve for cryogenic memory

• Nikolay Klenov,
• Yury Khaydukov,
• Sergey Bakurskiy,
• Roman Morari,
• Igor Soloviev,
• Vladimir Boian,
• Thomas Keller,
• Mikhail Kupriyanov,
• Anatoli Sidorenko and
• Bernhard Keimer

Beilstein J. Nanotechnol. 2019, 10, 833–839, doi:10.3762/bjnano.10.83

• lead to a significant enhancement of the critical current through the junction. To control the magnetic alignment we propose to use a periodic system whose unit cell is a pseudo spin valve of structure F1/s/F2/s where F1 and F2 are two magnetic layers having different coercive fields. In order to check

• alignment can be controlled with a magnetic field of only several tens of Oersted. Keywords: cryogenic computing; neutron scattering; spin valve; superconducting spintronics; Findings Superconductor digital devices have attracted growing attention due to their unique energy efficiency and performance [1

• magnetic state can be switched between parallel and antiparallel directions of the magnetization vectors of the F layers [7]. The use of a thin superconducting layer (s) as a spacer instead of an N layer may lead to enhancement of the spin-valve effect due to the proximity of the thick superconductor banks

Electronic properties of several two dimensional halides from ab initio calculations

• Mohamed Barhoumi,
• Ali Abboud,
• Lamjed Debbichi,
• Moncef Said,
• Torbjörn Björkman,
• Dario Rocca and
• Sébastien Lebègue

Beilstein J. Nanotechnol. 2019, 10, 823–832, doi:10.3762/bjnano.10.82

• monolayers CrOF, GaOF, InOF and LaOF are shown in Figure 5. From the DOS, it can be seen that the CrOF monolayer has a finite spin polarisation, and its magnetic moments are ordered ferromagnetically. Also, it is seen that the fluorine atoms contribute to the valence bands for all fluorides monolayers, while

• , we have investigated their electronic structure, and demonstrated their dynamical stability by computing their phonon spectra (see Supporting Information File 1). We have found that their electronic bandgap energies range between 3.0 and 7.5 eV and that CrOF is found to have a spin polarisation

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

• Li–S batteries. Simulation Details The same simulation method and models of [26] were used in the present work. All spin-polarized DFT calculations were performed with the Vienna ab initio simulation package (VASP) [42] plane-wave simulations. Electron–ion interaction and electron exchange

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

• tuning of spin states is possible by chemically substituting the central atom. Consequently, detailed investigations of the molecular interactions between TMPPs and metal surfaces has received extensive experimental [3][4][5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23] and

• . Consequently, the spin-down states are occupied and the system has a non-zero magnetic moment. This effect is reversed for the deep orbital at −3.7 eV, which is localized (i.e., no coupling to energy bands of Ag) in the “i” states, while there is a clear interaction with the metallic substrate at the bridge

• d-orbitals (−0.5 eV for MnPP and −1.1 eV for VPP). The contributions to HOMO (and HOMO−1) are also relatively disperse and spin-dependent, as indicated in Supporting Information File 1, Table S4. The 3d orbitals of metal and the carbon atom orbitals play an important role here. For MnPP we found

Ultrathin hydrophobic films based on the metal organic framework UiO-66-COOH(Zr)

• Miguel A. Andrés,
• Clemence Sicard,
• Christian Serre,
• Olivier Roubeau and
• Ignacio Gascón

Beilstein J. Nanotechnol. 2019, 10, 654–665, doi:10.3762/bjnano.10.65

• homogeneity [11]. Therefore, several strategies have been used for the deposition of MOF films [12], including direct growth [13][14], electrochemical deposition [15], inkjet-printing [16], dip-coating [17], layer-by-layer [18][19][20], Langmuir–Blodgett [21][22], chemical vapor deposition [23], spin-coating

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

• the intermediate and transient regime coexist with slower non-equilibrium fluctuations in the occupation of states for opposite spin orientation. The interdot Rabi oscillation induces charge oscillations across the system and a phase difference between the transient source and drain currents. We point

• ]. The formation of very slow Rabi-like spin-flip transitions promoted by the interplay of tunneling and spin orbit interactions in a system of double quantum dots has been studied by Khomitsky et al. [14]. In earlier publications we have shown how a Rabi oscillation can be detected in the transport of

• oscillations of the transport current in time still reveal Rabi oscillations, but in a complex many-level system other oscillations can be present. In particular we find that for a weak Rabi splitting the even weaker Zeeman spin splitting caused by a small external magnetic field plays a role in the transport

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

• for experimental researchers in search of low cost and efficient SACs for CO2 reduction. Computational Methods All of the calculations were carried out by means of spin-polarized DFT with the DMol3 code [54][55]. The exchange and correlation potentials were calculated using the Perdew, Burke, and

Advanced scanning probe lithography using anatase-to-rutile transition to create localized TiO₂ nanorods

• Julian Kalb,
• Vanessa Knittel and
• Lukas Schmidt-Mende

Beilstein J. Nanotechnol. 2019, 10, 412–418, doi:10.3762/bjnano.10.40

• ) 950 A2 was used as an electron resist and spin-coated at 3000 rpm for 90 s with a ramp of 1000 rpm/s. Subsequently, the resist was dried at 120 °C on a hotplate and prebaked at 170 °C in an oven for 30 min. The 30 nm thick resist layer was covered with an 8–10 nm thick aluminium film, which was

Biocompatible organic–inorganic hybrid materials based on nucleobases and titanium developed by molecular layer deposition

• Leva Momtazi,
• Henrik H. Sønsteby and
• Ola Nilsen

Beilstein J. Nanotechnol. 2019, 10, 399–411, doi:10.3762/bjnano.10.39

• ]. The Ti 2p core level spectra are the same for all three sample types, here exemplified by thymine Ti 2p (Figure 12). The 457.8 eV binding energy of the Ti 2p3/2 peak point towards predominant Ti–O-type bonding. We confirmed this by the 5.8 eV split spin-orbit energy difference. In addition, we

• energies of O–Ti–N-type bonding [28]. Upon water exposure, titanium in the as-deposited films is observed only as TiO2. This is evident from the 458.5 eV binding energy for the 2p3/2 peak, in addition to the 5.7 eV spin-orbit splitting. Furthermore, the characteristic TiO2 XPS satellite peak is observed at

Transport signatures of an Andreev molecule in a quantum dot–superconductor–quantum dot setup

• Zoltán Scherübl,
• András Pályi and
• Szabolcs Csonka

Beilstein J. Nanotechnol. 2019, 10, 363–378, doi:10.3762/bjnano.10.36

• , which can be occupied by 0, 1 or 2 electrons. The first term in the Hamiltonian reads as where εα is the on-site energy of QDα (α = L,R), dασ () annihilates (creates) an electron on QDα with spin σ, and Uα is the on-site Coulomb repulsion energy. Note that the interdot Coulomb repulsion in neglected

• ) Hamiltonian where εSk is the dispersion of conduction electrons in the SC, cSkσ () annihilates (creates) an electron in the SC with momentum k and spin σ, and Δ is the superconducting order parameter. Only one SC lead is present in our setup, hence Δ is chosen to be real. HSC can be diagonalized by a

• Bogoliubov-transformation, where resulting in where is the quasi-particle energy. The Hamiltonian of the normal leads is where α = L,R is the lead index, εαk is the dispersion relation, and cαkσ () annihilates (creates) an electron with momentum k and spin σ in lead Nα. Tunneling between the three leads

Nitrous oxide as an effective AFM tip functionalization: a comparative study

• Taras Chutora,
• Bruno de la Torre,
• Pingo Mutombo,
• Jack Hellerstedt,
• Jaromír Kopeček,
• Pavel Jelínek and
• Martin Švec

Beilstein J. Nanotechnol. 2019, 10, 315–321, doi:10.3762/bjnano.10.30

• states of chemical reactions [15][16][17][18][19] or discriminate the spin state of single molecules [20]. In most of these cases, the functionalized tip is routinely obtained by picking up a single CO molecule from the substrate. Applying an analogous approach, atomically sharp metal apexes can be also

Uniform Sb₂S₃ optical coatings by chemical spray method

• Jako S. Eensalu,
• Atanas Katerski,
• Erki Kärber,
• Ilona Oja Acik,
• Arvo Mere and
• Malle Krunks

Beilstein J. Nanotechnol. 2019, 10, 198–210, doi:10.3762/bjnano.10.18

• chemical bath deposition (CBD) [3][4], spin coating [5], atomic layer deposition (ALD) [6] or chemical spray pyrolysis (CSP) [7] method, has been applied in extremely thin absorber (ETA) solar cells due to its excellent absorption coefficient in the visible light spectrum (1.8 × 105 cm−1 at 450 nm) [1][2

• –Weber island growth of amorphous Sb2S3 (and in some cases leaf-like grains of polycrystalline Sb2S3) have been observed in Sb2S3 layers grown by chemical bath deposition on glass [47][48], In2O3/Sn (ITO) [49], planar TiO2 [16] and TiO2 nanotube arrays [50], by sequential deposition [51] and spin coating

New micro/mesoporous nanocomposite material from low-cost sources for the efficient removal of aromatic and pathogenic pollutants from water

• Emmanuel I. Unuabonah,
• Robert Nöske,
• Jens Weber,
• Christina Günter and
• Andreas Taubert

Beilstein J. Nanotechnol. 2019, 10, 119–131, doi:10.3762/bjnano.10.11

• of 4-nitrophenol. Cross-polarized magic angle spinning nuclear magnetic resonance 27Al (104.1 MHz), 13C (100.5 MHz), and 29Si (79.4 MHz) spectra of the 2Z-HYCA@650 °C nanocomposite were recorded on a Bruker DRX-400 spectrometer with a magic angle spin probe and 4 mm ZrO2 rotor 27Al signals were

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

• .) antimony by spray pyrolysis [9] or by sol–gel methods followed by spin-coating and annealing in different environments [10], ii.) manganese by long-time annealing of Mn/SnO2 bilayers in air at 200 °C [11] or by co-precipitation [12], iii.) aluminum, copper or indium all by spray pyrolysis from ethanolic

• solutions [13] and iv.) iron by laser pyrolysis [14][15] or by electron beam evaporation [16]. Cobalt-doped tin oxide has also been reported, and the resulting polycrystalline films were prepared by spin-coating and annealing from chloride ethanolic solutions resulted in lower bandgap values than pure SnO2

• measurements can help in engineering so that Zn/F-doped SnO2 can be considered as a typical transparent conducting oxide (TCO) suitable for solar cell applications. Thin films were prepared from the as-synthesized powders using spin-coating and found to have an apparent density of around 0.8 g/cm3. The

Femtosecond laser-assisted fabrication of chalcopyrite micro-concentrator photovoltaics

• Franziska Ringleb,
• Stefan Andree,
• Berit Heidmann,
• Jörn Bonse,
• Katharina Eylers,
• Owen Ernst,
• Torsten Boeck,
• Martina Schmid and
• Jörg Krüger

Beilstein J. Nanotechnol. 2018, 9, 3025–3038, doi:10.3762/bjnano.9.281

• electrical and high thermal conductivity, the photoresist SU8 was used for this purpose. In order to apply the photoresist, a precursor solution was distributed evenly on the sample via spin coating (Figure 12b). Subsequently, this solution was photochemically converted into SU8 and cured by means of thermal

• . The advantage of the spin-coating approach is that the insulating layer not only covers the molybdenum substrate, but also fills cavities or holes that might form sporadically within the islands and that would lead to power leakage in a lithography-based isolation approach. Characterization of solar

• created, site-controlled via femtosecond-laser treatment, which were subsequently processed to microabsorbers. For further processing to microcells, a pathway was demonstrated, in which an isolation concept based on spin coating was applied. The advantage of this approach is that imperfections can be

Electrostatic force microscopy for the accurate characterization of interphases in nanocomposites

• Diana El Khoury,
• Richard Arinero,
• Jean-Charles Laurentie,
• Mikhaël Bechelany,
• Michel Ramonda and
• Jérôme Castellon

Beilstein J. Nanotechnol. 2018, 9, 2999–3012, doi:10.3762/bjnano.9.279

• nm) were deposited or grown over the whole sample surface. Aluminum oxide (Al2O3) shells were prepared using the atomic layer deposition (ALD) method, polyvinyl acetate (PVAc) shells by spin coating, and silicon dioxide (SiO2) shells by plasma sputtering deposition (PSD). The signature of each

• Al2O3 and PS + 100 nm Al2O3 + PVAc samples are presented in Figure 2a and 2b. The topography height was lower in samples with than in those without the matrix surface layer. Additional nanomechanical measurements indicated that this decrease was due to the non-uniformly thick spin-coated PVAc film [38

• ]. In fact, as our samples were highly rough owing to the sub-micrometer PS spheres, spin-coating could not produce uniformly thin films [37]. However, this did not affect our study because the EFM results were compared at the center of the particles. Concerning the EFM signals, the average values

Ternary nanocomposites of reduced graphene oxide, polyaniline and hexaniobate: hierarchical architecture and high polaron formation

• Claudio H. B. Silva,
• Maria Iliut,
• Christopher Muryn,
• Christian Berger,
• Zachary Coldrick,
• Vera R. L. Constantino,
• Marcia L. A. Temperini and
• Aravind Vijayaraghavan

Beilstein J. Nanotechnol. 2018, 9, 2936–2946, doi:10.3762/bjnano.9.272

• PANI, the emeraldine salt (PANI-ES) contains two species: unpaired spin segments, the polarons (also known as radical cations); and paired spin segments, the bipolarons (also known as dications) [24][25]. The combination of PANI and inorganic materials at the nanoscale has shown interesting results for

Layered calcium phenylphosphonate: a hybrid material for a new generation of nanofillers

• Kateřina Kopecká,
• Ludvík Beneš,
• Klára Melánová,
• Vítězslav Zima,
• Petr Knotek and
• Kateřina Zetková

Beilstein J. Nanotechnol. 2018, 9, 2906–2915, doi:10.3762/bjnano.9.269

• CaPhP_exf prepared by spin coating on the glass support (A) and XRD pattern of free film with exfoliated filler CaPhP_exf_0.5 (B). Acknowledgements This work was supported by the Technology Agency of the Czech Republic (project No. TH02020201).

Charged particle single nanometre manufacturing

• Philip D. Prewett,
• Cornelis W. Hagen,
• Claudia Lenk,
• Steve Lenk,
• Marcus Kaestner,
• Tzvetan Ivanov,
• Ahmad Ahmad,
• Ivo W. Rangelow,
• Xiaoqing Shi,
• Stuart A. Boden,
• Alex P. G. Robinson,
• Dongxu Yang,
• Sangeetha Hari,
• Marijke Scotuzzi and
• Ejaz Huq

Beilstein J. Nanotechnol. 2018, 9, 2855–2882, doi:10.3762/bjnano.9.266

• previously to be suitable for electron beam lithography [38]. Derivatisation of the fullerene renders it soluble in common spin-coating solvents. A number of different fullerene derivatives have been spin-coated and patterned using electron beam lithography [38][39]. An ultrathin-film, ultrahigh-resolution

• : HM-01A using anisole solvent and HM-01C using chlorobenzene. The spin-coatability of the two formulations is shown in Figure 4a. Figure 5 shows 8 nm isolated lines written with a line dose of 0.08 nC·cm−1 in a 10 nm layer of HM-01A negative tone fullerene resist [41]. (Many novel resists require

• physical vapour deposition but HM-01A and HM-01C have the advantage of being spin-coatable.) A comparison of the sensitivity of the HM resists for He+ ion beam lithography at a beam energy of 30 keV and that for electron beam lithography at the same beam energy is shown in Figure 6 [41]. The HM resists are

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

• used without further purification. Before the hydrothermal reaction, the seed solution was first spin-coated on the FTO/glass and annealed at 350 °C for 20 min. To prepare the seed solution, 0.824 g of sodium tungstate dihydrate (Na2WO4·2H2O) was initially dissolved into 10 mL deionized water under

• deionized water to a total volume of 12.5 mL accompanied by another 15 min of stirring. The prepared seed solution was spin-coated onto FTO/glass at 3000 rpm for four times with each step consisting of 40 s spin-coating at room temperature followed by annealing at 350 °C for 20 min. The as-prepared FTO

Near-infrared light harvesting of upconverting NaYF₄:Yb³⁺/Er³⁺-based amorphous silicon solar cells investigated by an optical filter

• Daiming Liu,
• Qingkang Wang and
• Qing Wang

Beilstein J. Nanotechnol. 2018, 9, 2788–2793, doi:10.3762/bjnano.9.260

• mixture containing NaYF4:Yb3+/Er3+ (0.6 wt %) and polymethylmethacrylate (PMMA, 10 wt %) was prepared in trichloroethane. One UC/PMMA layer was spin-coated on the back contact at 900 rpm for 60 s, heated at 120 °C for 1 h and slowly cooled down to room temperature. Finally, white paint was applied as back

Magnetic and luminescent coordination networks based on imidazolium salts and lanthanides for sensitive ratiometric thermometry

• Pierre Farger,
• Cédric Leuvrey,
• Mathieu Gallart,
• Pierre Gilliot,
• Guillaume Rogez,
• João Rocha,
• Duarte Ananias,
• Pierre Rabu and
• Emilie Delahaye

Beilstein J. Nanotechnol. 2018, 9, 2775–2787, doi:10.3762/bjnano.9.259

• 0.5 T dc magnetic field. The magnetic susceptibilities and products χT are presented as functions of the temperature in Figure 3. At 300 K, the value of χT for the compound [Gd(L)(ox)(H2O)] is 7.88 emu·K·mol−1, which agrees well with the theoretical value for spin-only S = 7/2 Gd3+ ions. The χT

• product remains almost constant above 30 K and then decreases down to 6.7 emu·K·mol−1 at 1.8 K. This decrease suggests the occurrence of antiferromagnetic coupling between neighboring gadolinium centers. Since [Gd(L)(ox)(H2O)] is constituted of linear chains of Gd3+ ions with large spin moment, S = 7/2

• , we evaluated the magnetic coupling, J, between neighboring Gd3+ ions by using the Fisher expression for classical spin chains [48][49]: In the above expression, N is the Avogadro number, g is the Landé factor, β is the Bohr magneton, k is the Boltzmann constant, S is the spin moment, J is the