Photocatalytic degradation of methylene blue under visible light by cobalt ferrite nanoparticles/graphene quantum dots

• Vo Chau Ngoc Anh,
• Le Thi Thanh Nhi,
• Le Thi Kim Dung,
• Dang Thi Ngoc Hoa,
• Nguyen Truong Son,
• Nguyen Thi Thao Uyen,
• Nguyen Ngoc Uyen Thu,
• Le Van Thanh Son,
• Le Trung Hieu,
• Tran Ngoc Tuyen and
• Dinh Quang Khieu

Beilstein J. Nanotechnol. 2024, 15, 475–489, doi:10.3762/bjnano.15.43

• the as-synthesized CoFe2O4 and CF/GQDs-200 are, respectively, about 17.2 and 9.2 nm. Since cobalt ferrite possesses an inverse spinel structure (space group ) [13], the ferrite lattice parameter of CF and CF/GQDs-200 is 8.394 Å, agreeing well with the bulk value of 8.377 Å [15]. The suspension of CF

Exploring disorder correlations in superconducting systems: spectroscopic insights and matrix element effects

• Vyacheslav D. Neverov,
• Alexander E. Lukyanov,
• Andrey V. Krasavin,
• Alexei Vagov,
• Boris G. Lvov and
• Mihail D. Croitoru

Beilstein J. Nanotechnol. 2024, 15, 199–206, doi:10.3762/bjnano.15.19

• single-particle states. We emphasize that in our study, all energy quantities are consistently represented in terms of the hopping integral t, while all lengths are standardized/expressed in units of the lattice parameter. Lastly, the quantities of interest are statistically averaged over Ns = 100

Isolation of cubic Si₃P₄ in the form of nanocrystals

• Polina K. Nikiforova,
• Sergei S. Bubenov,
• Vadim B. Platonov,
• Andrey S. Kumskov,
• Nikolay N. Kononov,
• Tatyana A. Kuznetsova and
• Sergey G. Dorofeev

Beilstein J. Nanotechnol. 2023, 14, 971–979, doi:10.3762/bjnano.14.80

• subsequently treated as a cubic one belonging to the space group. The theoretical diffraction pattern for cubic Si3P4 with a lattice parameter of 5.04 Å and bond length of 2.27 Å (superimposed in Figure 2) follows the experimental diffractograms in terms of relative intensities. Three prominent maxima were

• parameters were reasonably close to that of [11] with a lattice parameter of 5.054 Å and bond length of 2.27 Å. The fully symmetric A1 vibration frequency was precisely determined in our calculations, while the others were off by up to ca. 34 cm−1 with respect to the experimental values. This discrepancy was

Silver nanoparticles loaded on lactose/alginate: in situ synthesis, catalytic degradation, and pH-dependent antibacterial activity

• Nguyen Thi Thanh Tu,
• T. Lan-Anh Vo,
• T. Thu-Trang Ho,
• Kim-Phuong T. Dang,
• Van-Dung Le,
• Phan Nhat Minh,
• Chi-Hien Dang,
• Vinh-Thien Tran,
• Van-Su Dang,
• Tran Thi Kim Chi,
• Hieu Vu-Quang,
• Radek Fajgar,
• Thi-Lan-Huong Nguyen,
• Van-Dat Doan and
• Thanh-Danh Nguyen

Beilstein J. Nanotechnol. 2023, 14, 781–792, doi:10.3762/bjnano.14.64

• Scherrer equation, the crystallite sizes of AgNPs in the nanocomposites were estimated to be 17.3 ± 2.7 nm for AgNPs@Lac/Alg-0.3 and 14.8 ± 2.5 nm for AgNPs@Lac/Alg-0.7. The mean lattice parameter and the cell volume of AgNPs in AgNPs@Lac/Alg-0.3 were determined to be 4.09 ± 0.02 Å and 68.5 ± 1.0 Å3

The microstrain-accompanied structural phase transition from h-MoO₃ to α-MoO₃ investigated by in situ X-ray diffraction

• Zeqian Zhang,
• Honglong Shi,
• Boxiang Zhuang,
• Minting Luo and
• Zhenfei Hu

Beilstein J. Nanotechnol. 2023, 14, 692–700, doi:10.3762/bjnano.14.55

• be deformed or damaged. To estimate the CTE of the hexagonal phase h-MoO3, lattice parameters as a function of temperature were obtained from the Rietveld refinement of the in situ XRD patterns, as shown in Figure 4a. When the temperature was raised from 300 to 400 °C, the lattice parameter a and the

• unit cell volume increased roughly linearly with slopes of 769.14 × 10−6 and 0.04558, respectively, while the lattice parameter c decreased linearly with a slope of −72.37 × 10−6. The CTE can be calculated using the formula αx = (1/x)(dx/dT), where x represents the lattice parameters a, b, c, or the

Thermal transport in kinked nanowires through simulation

• Alexander N. Robillard,
• Graham W. Gibson and
• Ralf Meyer

Beilstein J. Nanotechnol. 2023, 14, 586–602, doi:10.3762/bjnano.14.49

• equilibrium temperature for a lengthy period, and the effective lattice parameter at simulation temperature was calculated by examining the system dimensions. This was used as the lattice parameter for the kinked wires. The kinked wires then also underwent a lengthy equilibration process to allow them to

Structural studies and selected physical investigations of LiCoO₂ obtained by combustion synthesis

• Monika Michalska,
• Paweł Ławniczak,
• Tomasz Strachowski,
• Adam Ostrowski and
• Waldemar Bednarski

Beilstein J. Nanotechnol. 2022, 13, 1473–1482, doi:10.3762/bjnano.13.121

• the grain boundaries, and the green line shows fit data for the grain interior (crystalline part of the sample). Lattice parameter, cell volume, average crystallite size (XRD), and specific surface area of LiCoO2 powders. DC conductivity of the LiCoO2 samples measured at 293 K. The values present only

Self-assembly of C₆₀ on a ZnTPP/Fe(001)–p(1 × 1)O substrate: observation of a quasi-freestanding C₆₀ monolayer

• Guglielmo Albani,
• Michele Capra,
• Alessandro Lodesani,
• Alberto Calloni,
• Gianlorenzo Bussetti,
• Marco Finazzi,
• Franco Ciccacci,
• Alberto Brambilla,
• Lamberto Duò and
• Andrea Picone

Beilstein J. Nanotechnol. 2022, 13, 857–864, doi:10.3762/bjnano.13.76

•  2b shows a blowup of one fullerene domain, where individual C60 molecules are visible inside a hexagonal lattice with a lattice parameter of about 1 nm, a value very similar to that measured in C60 films stabilized on either metallic [51] or oxide [25] substrates. Figure 2c shows the fast Fourier

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

• ) and Pb(110) Figure 1 shows STM images of CO molecules adsorbed on Pb(111). With a lattice parameter of aPb = 4.95 Å, the height of monoatomic steps of the Pb(111) surface is expected to be hPb = = 2.85 Å. Experimentally, a pristine Pb(111) sample (Figure 1a) shows, after sputtering and annealing

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

• the space group of P213 (no. 198) of the 64-atom unit cell with an exceptionally large lattice parameter of 11.9702 Å according to X-ray diffraction using the Rietveld method [47]. The unit cell of π-SnSe is presented in Figure 1. There are 64 atoms (Sn = 32, Se = 32) in the primitive unit cell of the

• optimized lattice parameter of 12.108 Å obtained from the PBEsol functional matches well with the experimentally reported lattice parameter (11.9702 Å), as PBE GGA gives a slightly higher value of 12.284 Å [47]. Electronic properties After optimizing the lattice structure of π-SnSe and obtaining the lattice

• parameter close to the experimental value, we investigated the electronic structure of π-SnSe. The density of states (DOS) plot for the π-SnSe calculated by the meta GGA-mBJ is presented in Figure 3. The upper valence band is majorly contributed by the p states of Se and Sn atoms with a small share of Sn s

Influence of electrospray deposition on C₆₀ molecular assemblies

• Antoine Hinaut,
• Sebastian Scherb,
• Sara Freund,
• Zhao Liu,
• Thilo Glatzel and
• Ernst Meyer

Beilstein J. Nanotechnol. 2021, 12, 552–558, doi:10.3762/bjnano.12.45

• nanometers in size are observed, suggesting a limited influence of the HV-ESD method. The C60 molecules cover step edges and form monolayer islands, similar to TE. High-resolution imaging of the islands, shown in Figure 2c, confirms the hexagonal lattice arrangement of C60 with a lattice parameter close to 1

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

• temperature and density functional theory (DFT) calculations. The results suggest that this particular reconstruction of KBr occurs on Ir(111), due to a specific correlation of the lattice parameter. When deposited on a single layer of graphene on the same substrate, the topography of the KBr islands returns

Structural and optical characteristics determined by the sputtering deposition conditions of oxide thin films

• Petronela Prepelita,
• Florin Garoi and
• Valentin Craciun

Beilstein J. Nanotechnol. 2021, 12, 354–365, doi:10.3762/bjnano.12.29

• films are presented in Table 1. One of the films with the highest quality in terms of structure was the one deposited at a thickness of 300 nm. This is consistent with the value of the lattice parameter c = 5.2090 Å, indicating a good oxygenation. The 300 nm thick ZnO film proved to be improved in

The role of gold atom concentration in the formation of Cu–Au nanoparticles from the gas phase

• Yuri Ya. Gafner,
• Svetlana L. Gafner,
• Darya A. Ryzkova and
• Andrey V. Nomoev

Beilstein J. Nanotechnol. 2021, 12, 72–81, doi:10.3762/bjnano.12.6

• parameters were determined from 15 particles obtained from HRTEM images. From these measurements, the average lattice parameter of the synthesized Cu3Au nanoparticles was estimated to be 3.74 ± 0.01 Å. The fact that this value lies between the lattice parameters values of pure gold (aAu = 4.078 Å) and pure

• atoms in a nanoscale compact material. A similar effect can be observed in this case. According to Vegard’s law, the lattice parameter of bimetallic alloys varies linearly, depending on the composition, between the lattice parameters of the pure components. In the framework of the experiments shown in

• [3], its validity was also confirmed for the Cu–Au bimetallic nanoalloy case. The sample consisting of 20 ± 1 atom % Cu had an average lattice parameter of 3.99 ± 0.01 Å and, for a sample consisting of 73 ± 3 atom % Cu, the average lattice parameter was 3.74 ± 0.01 Å. For comparison, the lattice

Free and partially encapsulated manganese ferrite nanoparticles in multiwall carbon nanotubes

• Saja Al-Khabouri,
• Salim Al-Harthi,
• Toru Maekawa,
• Mohamed E. Elzain,
• Ashraf Al-Hinai,
• Ahmed D. Al-Rawas,
• Abbsher M. Gismelseed,
• Ali A. Yousif and
• Myo Tay Zar Myint

Beilstein J. Nanotechnol. 2020, 11, 1891–1904, doi:10.3762/bjnano.11.170

• the cubic spinel structure of free MnFe2O4 nanoparticles with a crystallite size of 12 ± 1 nm. The lattice parameter was found to be 0.8488 nm, which is in good agreement with the reported value of 0.8499 nm for bulk MnFe2O4 [14]. A careful analysis of the TEM images indicated that MnFe2O4

• largest-intensity peak of partially encapsulated manganese ferrite (311) is observed at θ = 17.51°, whereas, for the free MnFe2O4 nanoparticles, it is observed at θ = 17.70°. From the refinement, the estimated crystallite size is 10 ± 1 nm and lattice parameter is 0.83992 nm. The lattice parameter is 1

• % smaller than the lattice parameter of the reference pattern (0.84983 nm). The HRTEM image (Figure 5b), representing the manganese ferrite inside the tube, shows lattice fringes with a measured interfringe distance of 0.42 ± 0.01 nm, which is smaller than the reported interfringe distance of 0.49 nm for

Adsorption and self-assembly of porphyrins on ultrathin CoO films on Ir(100)

• Feifei Xiang,
• Tobias Schmitt,
• Marco Raschmann and
• M. Alexander Schneider

Beilstein J. Nanotechnol. 2020, 11, 1516–1524, doi:10.3762/bjnano.11.134

• -hexagonal layer with lattice parameter a2BL CoO = 3.0–3.1 Å [18]. STM images of both films show the positions of the oxygen atoms as bright protrusions [20]. Computational Methods Non-magnetic ab initio calculations were performed using the Vienna Ab-initio Simulation Package (VASP) [32] employing the PBE

3D superconducting hollow nanowires with tailored diameters grown by focused He⁺ beam direct writing

• Rosa Córdoba,
• Alfonso Ibarra,
• Dominique Mailly,
• Isabel Guillamón,
• Hermann Suderow and
• José María De Teresa

Beilstein J. Nanotechnol. 2020, 11, 1198–1206, doi:10.3762/bjnano.11.104

• (Figure 5). We indexed the spots indicated in the fast Fourier transform (Figure 5b) of the image in Figure 5a with the planes (−11−1), (−200) and (−1−11), and the [011] zone axis of the WC1−x fcc structure, with a lattice parameter of a = 0.4272 nm. A lower magnification STEM image of the NW grown at 1.3

Observation of unexpected uniaxial magnetic anisotropy in La_2/3Sr_1/3MnO₃ films by a BaTiO₃ overlayer in an artificial multiferroic bilayer

• John E. Ordóñez,
• Lorena Marín,
• Luis A. Rodríguez,
• Pedro A. Algarabel,
• José A. Pardo,
• Roger Guzmán,
• Luis Morellón,
• César Magén,
• Etienne Snoeck,
• María E. Gómez and
• Manuel R. Ibarra

Beilstein J. Nanotechnol. 2020, 11, 651–661, doi:10.3762/bjnano.11.51

• substrates, while the position of Qz is quite different from that of each substrate, being almost superimposed for LSMO grown on LSAT (see Figure 1b). This behavior corroborates the expected fully strained epitaxial growth (cube-on-cube) of the LSMO film where its in-plane lattice parameter is adapted to

• that of the substrate, and its out-of-plane lattice parameter is deformed accordingly [34][35]. The LSMO reflection for the sample grown on LAO substrate, Figure 1a, exhibits a low-intensity broad spot, which is influenced by the twinned nature of the rhombohedral LAO substrate, evidenced by the

• splitting of the LAO main reflection into three spots. For the BTO layers, its Qx position is the same, within the experimental error, for all samples, and it does not coincide with the LSMO and substrate reflections, indicating that the in-plane lattice parameter of the BTO is not adapted to the substrate

Influence of the epitaxial composition on N-face GaN KOH etch kinetics determined by ICP-OES

• Markus Tautz,
• Maren T. Kuchenbrod,
• Joachim Hertkorn,
• Robert Weinberger,
• Martin Welzel,
• Arno Pfitzner and
• David Díaz Díaz

Beilstein J. Nanotechnol. 2020, 11, 41–50, doi:10.3762/bjnano.11.4

• the optimization of epitaxial growth to achieve the lowest possible dislocation density. Most often, GaN is produced in the LED industry by metal organic chemical vapour deposition (MOCVD) in a heteroepitaxial process on sapphire substrates [4]. The lattice parameter mismatch of ca. 13.8% between GaN

Long-term entrapment and temperature-controlled-release of SF₆ gas in metal–organic frameworks (MOFs)

• Hana Bunzen,
• Andreas Kalytta-Mewes,
• Leo van Wüllen and
• Dirk Volkmer

Beilstein J. Nanotechnol. 2019, 10, 1851–1859, doi:10.3762/bjnano.10.180

• group P4mm (no. 99) for those cells corresponding to “min”, “TS”, and “centre”; cubic space group Pm−3m for the “start/end” configuration). Again, the experimental lattice parameter a = 21.697 Å was retained during all calculations. The two different correction methods were included in all DFT

The impact of crystal size and temperature on the adsorption-induced flexibility of the Zr-based metal–organic framework DUT-98

• Simon Krause,
• Volodymyr Bon,
• Hongchu Du,
• Rafal E. Dunin-Borkowski,
• Ulrich Stoeck,
• Irena Senkovska and
• Stefan Kaskel

Beilstein J. Nanotechnol. 2019, 10, 1737–1744, doi:10.3762/bjnano.10.169

• cluster of 1.5 nm, which is in good agreement with the lattice parameter and the inter-cluster distance of the DUT-98op crystal structure (Supporting Information File 1, Figure S8). The regular arrangement of the clusters indicates a high symmetry that matches the tetragonal symmetry in DUT-98op. In

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

• . In most cases, the cation distribution of stoichiometric bulk Mn-ferrite is demonstrated as where A and B denote tetrahedral and octahedral sites in spinel structure [25]. A higher amount of Mn in B sites has been shown to reduce the lattice parameter to 8.4 Å in 7.5 nm MnFe2O4 nanoparticles [26

• nanoscale, contributing to the effective cation distribution [26][27]. The difference in radius between Mn2+ (0.80 Å) and Mn3+ (0.66 Å) reduces the average lattice parameter. On the other hand, Co2+ randomly substitutes the two cations, but it has an intermediate radius of 0.74 Å, which on average does not

• affect the lattice parameter to a large extent, as experimentally observed in our samples. TEM analysis shows a regular morphology of the NPs. All samples have spherical particles of uniform size distribution as in the examples provided in Figure 2 for C0 and C100 samples. Despite some aggregation, it is

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

• be reliable in other similar studies [58]. The bulk cell parameter for silver has the value of 4.08 Å (experimental value). The theoretical value for the bulk cell parameter obtained by using the BH functional and plane-wave calculations was 4.10 Å [51]. Our tests on total energy versus lattice

• parameter lead to a value close to 4.095 Å. We used a 3 × 3 Monkhorst–Pack grid for the integrals in the Brillouin zone for the transversal direction while the periodicity along the Z-axis was modeled with a single k-point. Our initial tests indicates that the employment of a 4 × 4 grid leads to 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

• straightforward way from the position of the first (00l) reflection indexed as (003), leading here to a value of ≈8.79 Å as expected for a nitrate-containing LDH. The position of the (110) reflection at high angles, near 2θ = 60° for Cu Kα radiation, allows the value of the lattice parameter a to be determined

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

• adsorption effect as: where t = 2.7 eV is the carbon–carbon tight-binding overlap energy. The E0 is described as the on-site energy, t′ is the overlapping energy between the AGNR and gas molecule (AGNR–gas hopping integral parameter), aC–C is the C–C bond length (aC–C = 1.42 Å), b is lattice parameter and