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“Molecular terms and optical transitions of C60n+/- molecular ions”. Nikolaev AV, Michel KH, AIP conference proceedings
T2 –, 16th International Winterschool on Electronic Properties of Novel, Materials, MAR 02-09, 2002, KIRCHBERG, AUSTRIA , 417 (2002)
Abstract: We have studied the molecular energy terms of the hole configurations (h(u)(+))(m), m=2,3,4,5 of C-60(m+) cations and the electronic configurations (t(1u))(n) n=2,3,4, as well as (t(1u))(n-1)t(1g) of the C-60(n-) anions. The lowest terms (within an energy span of 0.03 eV) for C-60(2+) are three triplets T-3(1g), (3)G(g), T-3(2g) and for C-60(3+) are three quartets T-4(1u), (4)G(u), T-4(2u), which favor Jahn-Teller distortions. For the ground state of C-60(2-) we find a triplet T-3(1g) in agreement with Hund's rules. Our method takes into account intramolecular direct and exchange multipolar Coulomb interactions.
Keywords: P1 Proceeding; Condensed Matter Theory (CMT)
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“Molecular states of two vertically coupled systems of classical charged particles confined by a Coulomb potential”. Munarin FF, Ferreira WP, Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 76, 035336 (2007). http://doi.org/10.1103/PhysRevB.76.035336
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 3
DOI: 10.1103/PhysRevB.76.035336
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“Molecular simulations for carbon dioxide capture in silica slit pores”. Kumar M, Sengupta A, Kummamuru NB, Materials Today: Proceedings , 1 (2023). http://doi.org/10.1016/J.MATPR.2023.04.517
Abstract: In present work, we have performed the Grand Canonical Monte Carlo (GCMC) simulations to quantify CO2 capture inside porous silica at high operating temperatures of 673.15 K and 873.15 K; and over a operating pressure range of 500 kPa – 4000 kPa that are methane steam reforming process parameters. Related chemical potential values at these thermodynamic conditions are obtained from the bulk phase simulations in the Canonical ensemble in conjunction with Widom’s insertion technique, where the CO2 has been accurately represented by TraPPE force field. Present structure of the porous silica is a single slit pore geometry of various heights (H = 20 Å, 31.6 Å, 63.2 Å and 126.5 Å), dimensions in which possible vapour-liquid equilibria for generic square well fluids has been reported in literature. Estimation of the pore-fluid interactions show a higher interaction between silica pore and adsorbed CO2 compared to the reported pore-fluid interactions between homogeneous carbon slit pore and adsorbed CO2; thus resulting in an enhancement of adsorption inside silica pores of H = 20 Å and H = 126.5 Å, which are respectively 3.5 times and 1.5 times higher than that in homogeneous carbon slit pores of same dimensions and at 673.15 K and 500 kPa. Estimated local density plots indicate the presence of structured layers due to more molecular packing, which confirms possible liquid-like and vapour-like phase coexistence of the supercritical bulk phase CO2 under confinement.
Keywords: A3 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.MATPR.2023.04.517
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“Molecular information in static SIMS for the speciation of inorganic compounds”. van Ham R, Adriaens A, van Vaeck L, Gijbels R, Adams F, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 161/163, 245 (2000). http://doi.org/10.1016/S0168-583X(99)00750-8
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 19
DOI: 10.1016/S0168-583X(99)00750-8
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“Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species”. Neyts E, Bogaerts A, Gijbels R, Benedikt J, van den Sanden MCM, Diamond and related materials 13, 1873 (2004). http://doi.org/10.1016/j.diamond.2004.05.011
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.561
Times cited: 53
DOI: 10.1016/j.diamond.2004.05.011
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“Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC”. Neyts E, Bogaerts A, Gijbels R, Benedikt J, van de Sanden MCM, Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms 228, 315 (2005). http://doi.org/10.1016/j.nimb.2004.10.063
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.109
Times cited: 19
DOI: 10.1016/j.nimb.2004.10.063
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“Molecular collapse in monolayer graphene”. Van Pottelberge R, Moldovan D, Milovanović, SP, Peeters FM, 2D materials 6, 045047 (2019). http://doi.org/10.1088/2053-1583/AB3FEB
Abstract: Atomic collapse is a phenomenon inherent to relativistic quantum mechanics where electron states dive in the positron continuum for highly charged nuclei. This phenomenon was recently observed in graphene. Here we investigate a novel collapse phenomenon when multiple sub- and supercritical charges of equal strength are put close together as in a molecule. We construct a phase diagram which consists of three distinct regions: (1) subcritical, (2) frustrated atomic collapse, and (3) molecular collapse. We show that the single impurity atomic collapse resonances rearrange themselves to form molecular collapse resonances which exhibit a distinct bonding, anti-bonding and non-bonding character. Here we limit ourselves to systems consisting of two and three charges. We show that by tuning the distance between the charges and their strength a high degree of control over the molecular collapse resonances can be achieved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.937
Times cited: 10
DOI: 10.1088/2053-1583/AB3FEB
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“Molecular beam epitaxy and microstructural study of La2-xSr1+xCu2O6+y thin films”. Verbist K, Milat O, Van Tendeloo G, Arrouy F, Williams EJ, Rossel C, Machler E, Locquet J-P, Physical review : B : condensed matter and materials physics 56, 853 (1997)
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 2
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“Modulated formation of MOF-5 nanoparticles : a SANS analysis”. Nayuk R, Zacher D, Schweins R, Wiktor C, Fischer RA, Van Tendeloo G, Huber K, The journal of physical chemistry: C : nanomaterials and interfaces 116, 6127 (2012). http://doi.org/10.1021/jp3003728
Abstract: MOF-5 nanoparticles were prepared by mixing a solution of [Zn4O(C6H5COO)(6)] with a solution of benzene-1,4-dicarboxylic acid in DMF at ambient conditions. The former species mimics as a secondary building unit (SBU), and the latter acts as linker. Mixing of the two solutions induced the formation of MOF-5 nanoparticles in dilute suspension. The applied conditions were identified as suitable for a closer investigation of the particle formation process by combined light and small angle neutron scattering (SANS). Scattering analysis revealed a significant impact of the molar ratio of the two components in the reaction mixture. Excessive use of the building unit slowed down the process. A similar effect was observed upon addition of 4n-decylbenzoic acid, which is supposed to act as a modulator. The formation mechanism leads to initial intermediates, which turn into cubelike nanoparticles with a diameter of about 60-80 nm. This initial stage is followed by an extended formation period, where nucleation proceeds over hours, leading to an increasing number of nanoparticles with the same final size of 60-80 nm.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.536
Times cited: 24
DOI: 10.1021/jp3003728
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“Modified chitosan coated mesoporous strontium hydroxyapatite nanorods as drug carriers”. Filippousi M, Siafaka PI, Amanatiadou EP, Nanaki SG, Nerantzaki M, Bikiaris DN, Vizirianakis IS, Van Tendeloo G, Journal of materials chemistry B : materials for biology and medicine 3, 5991 (2015). http://doi.org/10.1039/c5tb00827a
Abstract: Mesoporous strontium hydroxyapatite (SrHAp) nanorods (NRs) have been successfully synthesized using a simple and efficient chemical route, i.e. the hydrothermal method. Structural and morphological characterization of the as-synthesized SrHAp NRs have been performed by transmission electron microscopy (TEM) and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). TEM and HAADF-STEM measurements of the NRs reveal the coexistence of longer and shorter particles with the length ranging from 50 nm to 400 nm and a diameter of about 20-40 nm. Electron tomography measurements of the NRs allow us to better visualize the mesopores and their facets. Two model drugs, hydrophobic risperidone and hydrophilic pramipexole, were loaded into the SrHAp NRs. These nanorods were coated using a modified chitosan (CS) with poly(2-hydroxyethyl methacrylate) (PHEMA), in order to encapsulate the drug-loaded SrHAp nanoparticles and reduce the cytotoxicity of the loaded materials. The drug release from neat and encapsulated SrHAp NRs mainly depends on the drug hydrophilicity. Importantly, although neat SrHAp nanorods exhibit some cytotoxicity against Caco-2 cells, the Cs-g-PHEMA-SrHAp drug-loaded nanorods show an acceptable cytocompatibility.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.543
Times cited: 24
DOI: 10.1039/c5tb00827a
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“Modeling Plasma-based CO2and CH4Conversion in Mixtures with N2, O2, and H2O: The Bigger Plasma Chemistry Picture”. Wang W, Snoeckx R, Zhang X, Cha MS, Bogaerts A, The journal of physical chemistry: C : nanomaterials and interfaces 122, 8704 (2018). http://doi.org/10.1021/acs.jpcc.7b10619
Abstract: Because of the unique properties of plasma technology, its use in gas conversion applications is gaining significant interest around the globe. Plasma-based CO2 and CH4 conversion has become a major research area. Many investigations have already been performed regarding the single-component gases, that is, CO2 splitting and CH4 reforming, as well as for two-component mixtures, that is, dry reforming of methane
(CO2/CH4), partial oxidation of methane (CH4/O2), artificial photosynthesis (CO2/H2O), CO2 hydrogenation (CO2/H2), and even first steps toward the influence of N2 impurities have been taken, that is, CO2/N2 and CH4/N2. In this Feature Article we briefly discuss the advances made in literature for these different steps from a plasma chemistry modeling point of view. Subsequently, we present a comprehensive plasma chemistry set, combining the knowledge gathered in this field so far and supported with extensive experimental data. This set can be used for chemical kinetics plasma modeling for all possible combinations of CO2, CH4, N2, O2, and H2O to investigate the bigger picture of the underlying plasmachemical pathways for these mixtures in a dielectric barrier discharge plasma. This is extremely valuable
for the optimization of existing plasma-based CO2 conversion and CH4 reforming processes as well as for investigating the influence of N2, O2, and H2O on these processes and even to support plasma-based multireforming processes.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 28
DOI: 10.1021/acs.jpcc.7b10619
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“Modeling of CO2Splitting in a Microwave Plasma: How to Improve the Conversion and Energy Efficiency”. Berthelot A, Bogaerts A, The journal of physical chemistry: C : nanomaterials and interfaces 121, 8236 (2017). http://doi.org/10.1021/acs.jpcc.6b12840
Abstract: Microwave plasmas are one of the most promising techniques for CO2 conversion into value-added chemicals and fuels since they are very energy efficient. Nevertheless, experiments show that this high energy efficiency is only reached at low pressures and significantly drops toward atmospheric pressure, which is a clear limitation for industrial applications. In this paper, we use a zerodimensional reaction kinetics model to simulate a CO2 microwave plasma in a pressure range from 50 mbar to 1 bar, in order to evaluate the reasons for this decrease in energy efficiency at atmospheric pressure. The code includes a detailed description of the vibrational kinetics of CO2, CO, and O2 as well as the energy exchanges between them because the vibrational kinetics is known to be crucial for energy efficient CO2 splitting. First, we use a self-consistent gas temperature calculation in order to assess the key performance indicators for CO2 splitting, i.e., the CO2 conversion and corresponding energy efficiency. Our results indicate that lower pressures and higher power densities lead to more vibrational excitation, which is beneficial for the conversion. We also demonstrate the key role of the gas temperature. The model predicts the highest conversion and energy efficiencies at pressures around 300 mbar, which is in agreement with experiments from the literature. We also show the beneficial aspect of fast gas cooling in the afterglow at high pressure. In a second step, we study in more detail the effects of pressure, gas temperature, and power density on the vibrational distribution function and on the dissociation and recombination mechanisms of CO2, which define the CO2 splitting efficiency. This study allows us to identify the limiting factors of CO2 conversion and to propose potential solutions to improve the process.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 47
DOI: 10.1021/acs.jpcc.6b12840
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“Model-based determination of dielectric function by STEM low-loss EELS”. Zhang L, Turner S, Brosens F, Verbeeck J, Physical review : B : condensed matter and materials physics 81, 035102 (2010). http://doi.org/10.1103/PhysRevB.81.035102
Abstract: Dielectric properties of materials are crucial in describing the electromagnetic response of materials. As devices are becoming considerably smaller than the optical wavelength, the conventional measuring methods based on optical response are limited by their spatial resolution. Electron energy loss spectroscopy performed in a scanning transmission electron microscope is a good alternative to obtain the dielectric properties with excellent spatial resolution. Due to the overlap of diffraction discs in scanning transmission electron microscopy, it is difficult to apply conventional experimental settings to suppress retardation losses. In this contribution, a relativistic dielectric model for the loss function is presented which is used in a model based optimization scheme to estimate the complex dielectric function of a material. The method is applied to experiments on bulk diamond and SrTiO3 and shows a good agreement with optical reference data when retardation effects are included. Application of this technique to nanoparticles is possible but several theoretical assumptions made in the model of the loss function are violated and interpretation becomes problematic.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Theory of quantum systems and complex systems
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PhysRevB.81.035102
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“Mo2C as a high capacity anode material: a first-principles study”. Çakir D, Sevik C, Gulseren O, Peeters FM, Journal of materials chemistry A : materials for energy and sustainability 4, 6029 (2016). http://doi.org/10.1039/C6TA01918H
Abstract: The adsorption and diffusion of Li, Na, K and Ca atoms on a Mo2C monolayer are systematically investigated by using first principles methods. We found that the considered metal atoms are strongly bound to the Mo2C monolayer. However, the adsorption energies of these alkali and earth alkali elements decrease as the coverage increases due to the enhanced repulsion between the metal ions. We predict a significant charge transfer from the ad-atoms to the Mo2C monolayer, which indicates clearly the cationic state of the metal atoms. The metallic character of both pristine and doped Mo2C ensures a good electronic conduction that is essential for an optimal anode material. Low migration energy barriers are predicted as small as 43 meV for Li, 19 meV for Na and 15 meV for K, which result in the very fast diffusion of these atoms on Mo2C. For Mo2C, we found a storage capacity larger than 400 mA h g(-1) by the inclusion of multilayer adsorption. Mo2C expands slightly upon deposition of Li and Na even at high concentrations, which ensures the good cyclic stability of the atomic layer. The calculated average voltage of 0.68 V for Li and 0.30 V for Na ions makes Mo2C attractive for low charging voltage applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 8.867
Times cited: 202
DOI: 10.1039/C6TA01918H
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“Mn2FeWO6 : a new Ni3TeO6-type polar and magnetic oxide”. Li MR, Croft M, Stephens PW, Ye M, Vanderbilt D, Retuerto M, Deng Z, Grams CP, Hemberger J, Hadermann J, Li WM, Jin CQ, Saouma FO, Jang JI, Akamatsu H, Gopalan V, Walker D, Greenblatt M;, Advanced materials 27, 2177 (2015). http://doi.org/10.1002/adma.201405244
Abstract: Mn22+Fe2+W6+O6, a new polar magnetic phase, adopts the corundum-derived Ni3TeO6-type structure with large spontaneous polarization (P-S) of 67.8 mu C cm-2, complex antiferromagnetic order below approximate to 75 K, and field-induced first-order transition to a ferrimagnetic phase below approximate to 30 K. First-principles calculations predict a ferrimagnetic (udu) ground state, optimal switching path along the c-axis, and transition to a lower energy udu-udd magnetic double cell.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19.791
Times cited: 32
DOI: 10.1002/adma.201405244
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“MnFe0.5Ru0.5O3 : an above-room-temperature antiferromagnetic semiconductor”. Tan X, McCabe EE, Orlandi F, Manuel P, Batuk M, Hadermann J, Deng Z, Jin C, Nowik I, Herber R, Segre CU, Liu S, Croft M, Kang C-J, Lapidus S, Frank CE, Padmanabhan H, Gopalan V, Wu M, Li M-R, Kotliar G, Walker D, Greenblatt M, Journal of materials chemistry C : materials for optical and electronic devices 7, 509 (2019). http://doi.org/10.1039/C8TC05059G
Abstract: A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is discussed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.256
Times cited: 1
DOI: 10.1039/C8TC05059G
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“Mixed pairing symmetries and flux-induced spin current in mesoscopic superconducting loops with spin correlations”. Zha G-Q, Covaci L, Peeters FM, Zhou S-P, Physical review : B : condensed matter and materials physics 91, 214504 (2015). http://doi.org/10.1103/PhysRevB.91.214504
Abstract: We numerically investigate the mixed pairing symmetries inmesoscopic superconducting loops in the presence of spin correlations by solving the Bogoliubov-de Gennes equations self-consistently. The spatial variations of the superconducting order parameters and the spontaneous magnetization are determined by the band structure. When the threaded magnetic flux turns on, the charge and spin currents both emerge and depict periodic evolution. In the case of a mesoscopic loop with dominant triplet p(x) +/- ip(y)-wave symmetry, a slight change of the chemical potential may lead to novel flux-dependent evolution patterns of the ground-state energy and the magnetization. The spin-polarized currents show pronounced quantum oscillations with fractional periods due to the appearance of energy jumps in flux, accompanied with a steplike feature of the enhanced spin current. Particularly, at some appropriate flux, the peaks of the zero-energy local density of states clearly indicate the occurrence of the odd-frequency pairing. In the case of a superconducting loop with dominant singlet d(x2-y2)-wave symmetry, the spatial profiles of the zero-energy local density of states and the magnetization show spin-dependent features on different sample diagonals. Moreover, the evolution of the flux-induced spin current always exhibits an hc/e periodicity.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 15
DOI: 10.1103/PhysRevB.91.214504
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“Mixed (Sr1-xCax)33Bi24Al48O141 fullerenoids: the defect structure analysed by (S)TEM techniques”. Lebedev OI, Bals S, Van Tendeloo G, Snoeck GE, Retoux R, Boudin S, Hervieu M, International journal of materials research 97, 978 (2006). http://doi.org/10.3139/146.101328
Abstract: (Sr1-xCax)(33)Bi-24,partial derivative Al48O141+3 partial derivative/2 fullerenoid solid solutions have been synthesized and the effect of partial substitution of Sr by Ca has been characterized by (scanning) transmission electron microscopy, applying different imaging methods. Most of the defects commonly observed in face centered cubic compounds, have also been observed in (Sr1-xCax)(33)Bi24-partial derivative Al48O141+3 partial derivative/2. Based on purely geometrical and topological models, structural presentations for the coherent twin boundaries and stacking faults have been constructed on the basis of complex spherical “Al84O210” units. The results are compared to defects observed in the crystallite fullerite C-60.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.681
Times cited: 1
DOI: 10.3139/146.101328
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“Mitigated oxygen loss in lithium-rich manganese-based cathode enabled by strong Zr-O affinity”. Wang G, Xie C, Wang H, Li Q, Xia F, Zeng W, Peng H, Van Tendeloo G, Tan G, Tian J, Wu J, Advanced functional materials , 2313672 (2024). http://doi.org/10.1002/ADFM.202313672
Abstract: Oxygen loss is a serious problem of lithium-rich layered oxide (LLO) cathodes, as the high capacity of LLO relies on reversible oxygen redox. Oxygen release can occur at the surface leading to the formation of spinel or rock salt structures. Also, the lattice oxygen will usually become unstable after long cycling, which remains a major roadblock in the application of LLO. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in LLO due to the high affinity between Zr and O. A simple sol-gel method is used to dope Zr4+ into the LLOs to adjust the local electronic structure and inhibit the diffusion of oxygen anions to the surface during cycling. Compared with untreated LLOs, LLO-Zr cathodes exhibit a higher cycling stability, with 94% capacity retention after 100 cycles at 0.4 C, up to 223 mAh g-1 at 1 C, and 88% capacity retention after 300 cycles. Theoretical calculations show that due to the strong Zr-O covalent bonding, the formation energy of oxygen vacancies has effectively increased and the loss of lattice oxygen under high voltage can be suppressed. This study provides a simple method for developing high-capacity and cyclability Li-rich cathode materials for lithium-ion batteries. Oxygen release can occur at the cathode surface leading to the formation of spinel or rock salt structures. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in lithium-rich layered oxides (LLO) due to the high affinity between Zr and O. LLO-Zr exhibit higher cycling stability, with 88% capacity retention after 300 cycles at 1 C. image
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19
DOI: 10.1002/ADFM.202313672
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“Misfit phase (BiSe)1.10NbSe2 as the origin of superconductivity in niobium-doped bismuth selenide”. Kamminga ME, Batuk M, Hadermann J, Clarke SJ, Communications Materials 1, 82 (2020). http://doi.org/10.1038/s43246-020-00085-z
Abstract: Topological superconductivity is of great contemporary interest and has been proposed in doped Bi<sub>2</sub>Se<sub>3</sub>, in which electron-donating atoms such as Cu, Sr or Nb have been intercalated into the Bi<sub>2</sub>Se<sub>3</sub>structure. For Nb<sub><italic>x</italic></sub>Bi<sub>2</sub>Se<sub>3</sub>, with<italic>T</italic><sub>c</sub> ~ 3 K, it is assumed in the literature that Nb is inserted in the van der Waals gap. However, in this work an alternative origin for the superconductivity in Nb-doped Bi<sub>2</sub>Se<sub>3</sub>is established. In contrast to previous reports, it is deduced that Nb intercalation in Bi<sub>2</sub>Se<sub>3</sub>does not take place. Instead, the superconducting behaviour in samples of nominal composition Nb<sub><italic>x</italic></sub>Bi<sub>2</sub>Se<sub>3</sub>results from the (BiSe)<sub>1.10</sub>NbSe<sub>2</sub>misfit phase that is present in the sample as an impurity phase for small<italic>x</italic>(0.01 ≤ <italic>x</italic> ≤ 0.10) and as a main phase for large<italic>x</italic>(<italic>x</italic> = 0.50). The structure of this misfit phase is studied in detail using a combination of X-ray diffraction and transmission electron microscopy techniques.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.1038/s43246-020-00085-z
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“Misfit accommodation of epitaxial La1-xAxMnO3 (A=Ca, Sr) thin films”. Lebedev OI, Van Tendeloo G, Amelinckx S, International journal of inorganic materials 3, 1331 (2001). http://doi.org/10.1016/S1466-6049(01)00155-6
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 2
DOI: 10.1016/S1466-6049(01)00155-6
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“Microwave-assisted synthesis of mesoporous titania with increased crystallinity, specific surface area, and photocatalytic activity”. Meire M, Verbruggen SW, Lenaerts S, Lommens P, Van Der Voort P, Van Driessche I, Journal of materials science 51, 9822 (2016). http://doi.org/10.1007/S10853-016-0215-Y
Abstract: Mesoporous titanium dioxide is a material finding its use in a wide range of applications. For many of these, it is important to achieve a high degree of crystallinity in the material. It is generally accepted that the use of the soft templating approach to synthesize mesoporous titania, results in a compromise between crystallinity and specific surface area due to thermal instability of the used templates. In this paper, we explore how the use of microwave irradiation can influence the crystallinity, specific surface area, and the electronic properties of mesoporous titania. Therefore, we combined microwave radiation with an evaporation-induced self-assembly (EISA) synthesis. We show that additional microwave treatment at carefully chosen synthesis steps can enhance the crystallinity with 20 % without causing significant loss of surface area (>360 m2/g). Surface photovoltage measurements were used to investigate the electronic properties. The photocatalytic activity of the samples was evaluated in aqueous media by following the degradation of an industrial dye, methylene blue, and the herbicide isoproturon under UV irradiation and in gaseous media looking at the degradation of acetaldehyde, a common indoor pollutant under UVA irradiation. In all cases, the microwave treatment results in more active materials.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 2.599
Times cited: 8
DOI: 10.1007/S10853-016-0215-Y
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“Microwave-assisted bromination of double-walled carbon nanotubes”. Colomer J-F, Marega R, Traboulsi H, Meneghetti M, Van Tendeloo G, Bonifazi D, Chemistry of materials 21, 4747 (2009). http://doi.org/10.1021/cm902029m
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 46
DOI: 10.1021/cm902029m
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“Microwave emission from a crystal of molecular magnets: the role of a resonant cavity”. Benedict MG, Földi P, Peeters FM, Physical review : B : condensed matter and materials physics 72, 214430 (2005). http://doi.org/10.1103/PhysRevB.72.214430
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 16
DOI: 10.1103/PhysRevB.72.214430
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“Microstructure of artificial [100] 45 degrees twist grain boundaries in YBa2Cu3O7-delta”. Verbist K, Tafuri F, Granozio FM, Di Chiara S, Van Tendeloo G, Electron Microscopy 1998, Vol 2: Materials Science 1 , 593 (1998)
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
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“Microstructure of adiabatic shear bands in Ti6Al4V”. Peirs J, Tirry W, Amin-Ahmadi B, Coghe F, Verleysen P, Rabet L, Schryvers D, Degrieck J, Materials characterization 75, 79 (2013). http://doi.org/10.1016/j.matchar.2012.10.009
Abstract: Microstructural deformation mechanisms in adiabatic shear bands in Ti6Al4V are studied using traditional TEM and selected area diffraction, and more advanced microstructural characterisation techniques such as energy dispersive X-ray spectroscopy, high angle annular dark field STEM and conical dark field TEM. The shear bands under investigation are induced in Ti6Al4V samples by high strain rate compression of cylindrical and hat-shaped specimens in a split Hopkinson pressure bar setup. Samples from experiments interrupted at different levels of deformation are used to study the evolution of the microstructure in and nearby the shear bands. From the early stages of adiabatic shear band formation, TEM revealed strongly elongated equiaxed grains in the shear band. These band-like grains become narrower towards the centre of the band and start to fraction even further along their elongated direction to finally result in a nano-crystalline region in the core. In fully developed shear bands, twins and a needle-like martensite morphology are observed near the shear band.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.714
Times cited: 56
DOI: 10.1016/j.matchar.2012.10.009
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“Microstructure of a partially crystallised Ti50Ni25Cu25 melt-spun ribbon”. Santamarta R, Schryvers D, Materials transactions 44, 1760 (2003). http://doi.org/10.2320/matertrans.44.1760
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.713
Times cited: 23
DOI: 10.2320/matertrans.44.1760
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“Microstructure and phase composition characterization in a Co38Ni33Al29 ferromagnetic shape memory alloy”. Lu JB, Schryvers D, Materials characterization 118, 9 (2016). http://doi.org/10.1016/j.matchar.2016.04.028
Abstract: Transmission electron microscopy was performed to investigate the microstructures of a secondary phase and its surrounding matrix in a Co38Ni33Al29 ferromagnetic shape memory alloy. The secondary phase shows a γ′ L12 structure exhibiting a dendritic morphology with enclosed B2 austenite regions while the matrix shows the L10 martensitic structure. A secondary phase-austenite-martensite sandwich structure with residual austenite ranging from several hundred nanometers to several micrometers wide is observed at the secondary phase-martensite interface due to the depletion of Co and enrichment of Al in the chemical gradient zone and the effect of the strong martensitic start temperature dependency of the element concentrations. The crystallographic orientation relationship of the secondary phase and the B2 austenite fits the Kurdjumov-Sachs relationship.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 2.714
Times cited: 3
DOI: 10.1016/j.matchar.2016.04.028
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“Microstructure and mechanical properties of Hastelloy X produced by HP-SLM (high power selective laser melting)”. Montero-Sistiaga ML, Pourbabak S, Van Humbeeck J, Schryvers D, Vanmeensel K, Materials &, design 165, 107598 (2019). http://doi.org/10.1016/j.matdes.2019.107598
Abstract: In order to increase the production rate during selective laser melting (SLM), a high power laser with a large beam diameter is used to build fully dense Hastelloy X parts. Compared to SLM with a low power and small diameter beam, the productivity was increased from 6 mm3/s to 16 mm3/s, i.e. 2.6 times faster. Besides the productivity benefit, the influence of the use of a high power laser on the rapid solidification microstructure and concomitant material properties is highlighted. The current paper compares the microstructure and tensile properties of Hastelloy X built with low and high power lasers. The use of a high power laser results in wider and shallower melt pools inducing an enhanced morphological and crystallographic texture along the building direction (BD). In addition, the increased heat input results in coarser sub-grains or high density dislocation walls for samples processed with a high power laser. Additionally, the influence of hot isostatic pressing (HIP) as a post-processing technique was evaluated. After HIP, the tensile fracture strain increased as compared to the strain in the as-built state and helped in obtaining competitive mechanical properties as compared to conventionally processed Hastelloy X parts.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.364
Times cited: 15
DOI: 10.1016/j.matdes.2019.107598
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“Microstructure and Josephson phenomenology in 45°, tilt and twist Yba2Cu3o7-\delta artificial grain boundaries”. Tafuri F, Miletto Granozio F, Carillo F, di Chiara A, Verbist K, Van Tendeloo G, Physical review : B : condensed matter and materials physics 59, 11523 (1999). http://doi.org/10.1103/PhysRevB.59.11523
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 52
DOI: 10.1103/PhysRevB.59.11523
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