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“Intrinsic control of interlayer exciton generation in Van der Waals materials via Janus layers”. Torun E, Paleari F, Milošević, MV, Wirtz L, Sevik C, Nano letters 23, 3159 (2023). http://doi.org/10.1021/ACS.NANOLETT.2C04724
Abstract: We demonstrate the possibility of engineering the optical properties of transition metal dichalcogenide heterobilayers when one of the constitutive layers has a Janus structure. We investigate different MoS2@Janus layer combinations using first-principles methods including excitons and exciton-phonon coupling. The direction of the intrinsic electric field from the Janus layer modifies the electronic band alignments and, consequently, the energy separation between dark interlayer exciton states and bright in-plane excitons. We find that in-plane lattice vibrations strongly couple the two states, so that exciton-phonon scattering may be a viable generation mechanism for interlayer excitons upon light absorption. In particular, in the case of MoS2@WSSe, the energy separation of the low-lying interlayer exciton from the in-plane exciton is resonant with the transverse optical phonon modes (40 meV). We thus identify this heterobilayer as a prime candidate for efficient generation of charge-separated electron-hole pairs.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 10.8
DOI: 10.1021/ACS.NANOLETT.2C04724
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“Pattern Formation by Electric-Field Quench in a Mott Crystal”. Gauquelin N, Forte F, Jannis D, Fittipaldi R, Autieri C, Cuono G, Granata V, Lettieri M, Noce C, Miletto-Granozio F, Vecchione A, Verbeeck J, Cuoco M, Nano letters (2023). http://doi.org/10.1021/acs.nanolett.3c00574
Abstract: The control of Mott phase is intertwined with the spatial reorganization of the electronic states. Out-of-equilibrium driving forces typically lead to electronic patterns that are absent at equilibrium, whose nature is however often elusive. Here, we unveil a nanoscale pattern formation in the Ca2 RuO4 Mott insulator. We demonstrate how an applied electric field spatially reconstructs the insulating phase that, uniquely after switching off the electric field, exhibits nanoscale stripe domains. The stripe pattern has regions with inequivalent octahedral distortions that we directly observe through high-resolution scanning transmission electron
microscopy. The nanotexture depends on the orientation of the electric field, it is non-volatile and rewritable. We theoretically simulate the charge and orbital reconstruction induced by a quench dynamics of the applied electric field providing clear-cut mechanisms for the stripe phase formation. Our results open the path for the design of non-volatile electronics based on voltage-controlled nanometric phases.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 10.8
Times cited: 2
DOI: 10.1021/acs.nanolett.3c00574
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“Fractal design of hierarchical PtPd with enhanced exposed surface atoms for highly catalytic activity and stability”. Ying J, Xiao Y, Chen J, Hu Z-Y, Tian G, Van Tendeloo G, Zhang Y, Symes MDD, Janiak C, Yang X-Y, Nano letters 23, 7371 (2023). http://doi.org/10.1021/ACS.NANOLETT.3C01190
Abstract: Hierarchicalassembly of arc-like fractal nanostructures not onlyhas its unique self-similarity feature for stability enhancement butalso possesses the structural advantages of highly exposed surface-activesites for activity enhancement, remaining a great challenge for high-performancemetallic nanocatalyst design. Herein, we report a facile strategyto synthesize a novel arc-like hierarchical fractal structure of PtPdbimetallic nanoparticles (h-PtPd) by using pyridinium-type ionic liquidsas the structure-directing agent. Growth mechanisms of the arc-likenanostructured PtPd nanoparticles have been fully studied, and precisecontrol of the particle sizes and pore sizes has been achieved. Dueto the structural features, such as size control by self-similaritygrowth of subunits, structural stability by nanofusion of subunits,and increased numbers of exposed active atoms by the curved homoepitaxialgrowth, h-PtPd displays outstanding electrocatalytic activity towardoxygen reduction reaction and excellent stability during hydrothermaltreatment and catalytic process.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 10.8
DOI: 10.1021/ACS.NANOLETT.3C01190
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“Tuning the Growth of Chiral Gold Nanoparticles Through Rational Design of a Chiral Molecular Inducer”. Van Gordon K, Baúlde S, Mychinko M, Heyvaert W, Obelleiro-Liz M, Criado A, Bals S, Liz-Marzán LM, Mosquera J, Nano Letters (2023). http://doi.org/10.1021/acs.nanolett.3c02800
Abstract: The bottom-up production of chiral gold nanomaterials holds great potential for the advancement of biosensing and nano-optics, among other applications. Reproducible preparations of colloidal nanomaterials with chiral morphology have been reported, using cosurfactants or chiral inducers such as thiolated amino acids. However, the underlying growth mechanisms for these nanomaterials remain insufficiently understood. We introduce herein a purposely devised chiral inducer, a cysteine modified with a hydrophobic chain, as a versatile chiral inducer. The amphiphilic and chiral features of this molecule provide control over the chiral morphology and the chiroptical signature of the obtained nanoparticles by simply varying the concentration of chiral inducer. These results are supported by circular dichroism and electromagnetic modeling as well as electron tomography to analyze structural evolution at the facet scale. Our observations suggest complex roles for the factors involved in chiral synthesis: the chemical nature of the chiral inducers and the influence of cosurfactants.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Impact Factor: 10.8
DOI: 10.1021/acs.nanolett.3c02800
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“Intra-zero-energy Landau level crossings in bilayer graphene at high electric fields”. Xiang F, Gupta A, Chaves A, Krix ZE, Watanabe K, Taniguchi T, Fuhrer MS, Peeters FM, Neilson D, Milošević, MV, Hamilton AR, Nano letters 23, 9683 (2023). http://doi.org/10.1021/ACS.NANOLETT.3C01456
Abstract: The highly tunable band structure of the zero-energy Landau level (zLL) of bilayer graphene makes it an ideal platform for engineering novel quantum states. However, the zero-energy Landau level at high electric fields has remained largely unexplored. Here we present magnetotransport measurements of bilayer graphene in high transverse electric fields. We observe previously undetected Landau level crossings at filling factors nu = -2, 1, and 3 at high electric fields. These crossings provide constraints for theoretical models of the zero-energy Landau level and show that the orbital, valley, and spin character of the quantum Hall states at high electric fields is very different from low electric fields. At high E, new transitions between states at nu = -2 with different orbital and spin polarization can be controlled by the gate bias, while the transitions between nu = 0 -> 1 and nu = 2 -> 3 show anomalous behavior.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 10.8
Times cited: 1
DOI: 10.1021/ACS.NANOLETT.3C01456
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“Capillary Condensation of Water in Graphene Nanocapillaries”. Faraji F, Neyts EC, Milošević, MV, Peeters FM, Nano Letters 24, 5625 (2024). http://doi.org/10.1021/acs.nanolett.4c01088
Abstract: Recent experiments have revealed that the macroscopic Kelvin equation remains surprisingly accurate even for nanoscale capillaries. This phenomenon was so far explained by the oscillatory behavior of the solid−liquid interfacial free energy. We here demonstrate thermodynamic and capillarity inconsistencies with this explanation. After revising the Kelvin equation, we ascribe its validity at nanoscale confinement to the effect of disjoining pressure.
To substantiate our hypothesis, we employed molecular dynamics simulations to evaluate interfacial heat transfer and wetting properties. Our assessments unveil a breakdown in a previously established proportionality between the work of adhesion and the Kapitza conductance at capillary heights below 1.3 nm, where the dominance of the work of adhesion shifts primarily from energy to entropy. Alternatively, the peak density of the initial water layer can effectively probe the work of adhesion. Unlike under bulk conditions, high confinement renders the work of adhesion entropically unfavorable.
Keywords: A1 Journal Article; CMT
Impact Factor: 10.8
DOI: 10.1021/acs.nanolett.4c01088
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“Unconventional superconducting diode effects via antisymmetry and antisymmetry breaking”. Li C, Lyu Y-Y, Yue W-C, Huang P, Li H, Li T, Wang C-G, Yuan Z, Dong Y, Ma X, Tu X, Tao T, Dong S, He L, Jia X, Sun G, Kang L, Wang H, Peeters FM, Milošević, MV, Wu P, Wang Y-L, Nano letters 24, 4108 (2024). http://doi.org/10.1021/ACS.NANOLETT.3C05008
Abstract: Symmetry breaking plays a pivotal role in unlocking intriguing properties and functionalities in material systems. For example, the breaking of spatial and temporal symmetries leads to a fascinating phenomenon: the superconducting diode effect. However, generating and precisely controlling the superconducting diode effect pose significant challenges. Here, we take a novel route with the deliberate manipulation of magnetic charge potentials to realize unconventional superconducting flux-quantum diode effects. We achieve this through suitably tailored nanoengineered arrays of nanobar magnets on top of a superconducting thin film. We demonstrate the vital roles of inversion antisymmetry and its breaking in evoking unconventional superconducting effects, namely a magnetically symmetric diode effect and an odd-parity magnetotransport effect. These effects are nonvolatilely controllable through in situ magnetization switching of the nanobar magnets. Our findings promote the use of antisymmetry (breaking) for initiating unconventional superconducting properties, paving the way for exciting prospects and innovative functionalities in superconducting electronics.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 10.8
DOI: 10.1021/ACS.NANOLETT.3C05008
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“Cation exchange mediated elimination of the Fe-antisites in the hydrothermal synthesis of LiFePO4”. Paolella A, Bertoni G, Hovington P, Feng Z, Flacau R, Prato M, Colombo M, Marras S, Manna L, Turner S, Van Tendeloo G, Guerfi A, Demopoulos GP, Zaghib K;, Nano energy 16, 256 (2015). http://doi.org/10.1016/j.nanoen.2015.06.005
Abstract: In this work we elucidate the elimination of mechanism Fe-antisite defects in lithium iron phosphate (LiFePO4) during the hydrothermal synthesis. Compelling evidence of this effect is provided by combining Neutron Powder Diffraction (NPD), High Resolution (Scanning) Transmission Electron Microscopy (HR-(S)TEM), Electron Energy Loss Spectroscopy (EELS), X-Ray Photoelectron Spectroscopy (XPS) and calculations. We found: i) the first intermediate vivianite inevitably creates Fe-antisite defects in LiFePO4; ii) the removal of these antisite defects by cation exchange is assisted by a nanometer-thick amorphous layer, rich in Li, that enwraps the LiFePO4 crystals.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.343
Times cited: 27
DOI: 10.1016/j.nanoen.2015.06.005
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“One particle@one cell : highly monodispersed PtPd bimetallic nanoparticles for enhanced oxygen reduction reaction”. Ying J, Yang X-Y, Hu Z-Y, Mu S-C, Janiak C, Geng W, Pan M, Ke X, Van Tendeloo G, Su B-L, Nano energy 8, 214 (2014). http://doi.org/10.1016/j.nanoen.2014.06.010
Abstract: Highly monodispersed platinum-based nanoalloys are the best-known catalysts for the oxygen reduction reaction. Although certainly promising, the durability and stability are among the main requirements for commercializing fuel cell electrocatalysts in practical applications. Herein, we synthesize highly stable, durable and catalytic active monodispersed PtPd nano-particles encapsulated in a unique one particle@one cell structure by adjusting the viscosity of solvents using mesocellular foam. PtPd nanoparticles in mesocellular carbon foam exhibit an excellent electrocatalytic activity (over 4 times mass and specific activities than the commercial Pt/C catalyst). Most importantly, this nanocatalyst shows no obvious change of structure and only a 29.5% loss in electrochemically active surface area after 5000 potential sweeps between 0.6 and 1.1 V versus reversible hydrogen electrode cycles. (C) 2014 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.343
Times cited: 40
DOI: 10.1016/j.nanoen.2014.06.010
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“Blue-edge slow photons promoting visible-light hydrogen production on gradient ternary 3DOM TiO 2 -Au-CdS photonic crystals”. Zhao H, Hu Z, Liu J, Li Y, Wu M, Van Tendeloo G, Su B-L, Nano energy 47, 266 (2018). http://doi.org/10.1016/j.nanoen.2018.02.052
Abstract: The slow photon effect, a structural effect of photonic crystal photocatalyst, is very efficient in the enhancement of photocatalytic reactions. However, slow photons in powdered photonic crystal photocatalyst have rarely been discussed because they are usually randomly oriented when the photocatalytic reaction happens in solution under constant stirring. In this work, for the first time we design a gradient ternary TiO2-Au-CdS photonic crystal based on three-dimensionally ordered macroporous (3DOM) TiO2 as skeleton, Au as electron transfer medium and CdS as active material for photocatalytic H2 production under visible-light. As a result, this gradient ternary photocatalyst is favorable to simultaneously enhance light absorption, extend the light responsive region and reduce the recombination rate of the charge carriers. In particular, we found that slow photons at blue-edge exhibit much higher photocatalytic activity than that at red-edge. The photonic crystal photocatalyst with a macropore size of 250 nm exhibits the highest visible-light H2 production rate of 3.50 mmolh⁻¹g⁻¹ due to the slow photon energy at the blue-edge to significantly enhance the incident photons utilization. This work verifies that slow photons at the blue-edge can largely enhance light harvesting and sheds a light on designing the powdered photonic crystal photocatalyst to promote the photocatalytic H2 production via slow photon effect.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.343
Times cited: 33
DOI: 10.1016/j.nanoen.2018.02.052
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“Hierarchical CdS/m-TiO 2 /G ternary photocatalyst for highly active visible light-induced hydrogen production from water splitting with high stability”. Lu Y, Cheng X, Tian G, Zhao H, He L, Hu J, Wu S-M, Dong Y, Chang G-G, Lenaerts S, Siffert S, Van Tendeloo G, Li Z-F, Xu L-L, Yang X-Y, Su B-L, Nano energy 47, 8 (2018). http://doi.org/10.1016/j.nanoen.2018.02.021
Abstract: Hierarchical semiconductors are the most important photocatalysts, especially for visible light-induced hydrogen production from water splitting. We demonstrate herein a hierarchical electrostatic assembly approach to hierarchical CdS/m-TiO2/G ternary photocatalyst, which exhibits high photoactivity and excellent photostability (more than twice the activity of pure CdS while 82% of initial photoactivity remained after 15 recycles during 80 h irradiation). The ternary nanojunction effect of the photocatalyst has been investigated from orbitals hybrid, bonding energy to atom-stress distortion and nano-interface fusion. And a coherent separation mechanism of charge carriers in the ternary system has been proposed at an atomic/nanoscale. This work offers a promising way to inhibit the photocorrosion of CdS and, more importantly, provide new insights for the design of ternary nanostructured photocatalysts with an ideal heterojunction.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 12.343
Times cited: 58
DOI: 10.1016/j.nanoen.2018.02.021
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“High performance piezotronic spin transistors using molybdenum disulfide nanoribbon”. Yan XF, Chen Q, Li LL, Guo HZ, Peng JZ, Peeters FM, Nano Energy 75, 104953 (2020). http://doi.org/10.1016/J.NANOEN.2020.104953
Abstract: Two-dimensional (2D) materials are promising candidates for atomic-scale piezotronics and piezophototronics. Quantum edge states show fascinating fundamental physics such as nontrivial topological behavior and hold promising practical applications for low-power electronic devices. Here, using the tight-binding approach and quantum transport simulations, we investigate the piezotronic effect on the spin polarization of edge states in a zigzag-terminated monolayer MoS2 nanoribbon. We find that the strain-induced piezoelectric potential induces a phase transition of edge states from metal to semiconductor. However, in the presence of exchange field, edge states become semi-metallic with significant spin splitting and polarization that can be tuned by external strain. We show that quantum transport conductance exhibits a 100% spin polarization over a wide range of strain magnitudes. This effect is used in a propose prototype of piezotronic spin transistor. Our results provide a fundamental understanding of the piezotronic effect on edge states in zigzag monolayer MoS2 nanoribbons and are relevant for designing high-performance piezotronic spin devices.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 17.6
Times cited: 20
DOI: 10.1016/J.NANOEN.2020.104953
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“Enhanced piezoresponse and surface electric potential of hybrid biodegradable polyhydroxybutyrate scaffolds functionalized with reduced graphene oxide for tissue engineering”. Chernozem R V, Romanyuk KN, Grubova I, Chernozem P V, Surmeneva MA, Mukhortova YR, Wilhelm M, Ludwig T, Mathur S, Kholkin AL, Neyts E, Parakhonskiy B, Skirtach AG, Surmenev RA, Nano Energy 89, 106473 (2021). http://doi.org/10.1016/J.NANOEN.2021.106473
Abstract: Piezoelectricity is considered to be one of the key functionalities in biomaterials to boost bone tissue regeneration, however, integrating biocompatibility, biodegradability and 3D structure with pronounced piezoresponse remains a material challenge. Herein, novel hybrid biocompatible 3D scaffolds based on biodegradable poly(3-hydroxybutyrate) (PHB) and reduced graphene oxide (rGO) flakes have been developed. Nanoscale insights revealed a more homogenous distribution and superior surface potential values of PHB fibers (33 +/- 29 mV) with increasing rGO content up to 1.0 wt% (314 +/- 31 mV). The maximum effective piezoresponse was detected at 0.7 wt% rGO content, demonstrating 2.5 and 1.7 times higher out-of-plane and in-plane values, respectively, than that for pure PHB fibers. The rGO addition led to enhanced zigzag chain formation between paired lamellae in PHB fibers. In contrast, a further increase in rGO content reduced the alpha-crystal size and prevented zigzag chain conformation. A corresponding model explaining structural and molecular changes caused by rGO addition in electrospun PHB fibers is proposed. In addition, finite element analysis revealed a negligible vertical piezoresponse compared to lateral piezoresponse in uniaxially oriented PHB fibers based on alpha-phase (P2(1)2(1)2(1) space group). Thus, the present study demonstrates promising results for the development of biodegradable hybrid 3D scaffolds with an enhanced piezoresponse for various tissue engineering applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 12.343
DOI: 10.1016/J.NANOEN.2021.106473
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“Fabrication, microstructure, and enhanced thermionic electron emission properties of vertically aligned nitrogen-doped nanocrystalline diamond nanorods”. Sankaran KJ, Deshmukh S, Korneychuk S, Yeh C-J, Thomas JP, Drijkoningen S, Pobedinskas P, Van Bael MK, Verbeeck J, Leou K-C, Leung K-T, Roy SS, Lin I-N, Haenen K, MRS communications 8, 1311 (2018). http://doi.org/10.1557/MRC.2018.158
Abstract: Vertically aligned nitrogen-doped nanocrystalline diamond nanorods are fabricated from nitrogen-doped nanocrystalline diamond films using reactive ion etching in oxygen plasma. These nanorods show enhanced thermionic electron emission (TEE) characteristics, viz.. a high current density of 12.0 mA/cm(2) and a work function value of 4.5 eV with an applied voltage of 3 Vat 923 K. The enhanced TEE characteristics of these nanorods are ascribed to the induction of nanographitic phases at the grain boundaries and the field penetration effect through the local field enhancement from nanorods owing to a high aspect ratio and an excellent field enhancement factor.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.01
Times cited: 1
DOI: 10.1557/MRC.2018.158
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“First-Principles Investigation of the Stability of the Oxygen Framework of Li-Rich Battery Cathodes”. Bercx M, Slap L, Partoens B, Lamoen D, MRS advances 4, 813 (2019). http://doi.org/10.1557/adv.2019.135
Abstract: Lithium-rich layered oxides such as Li<sub>2</sub>MnO<sub>3</sub>have shown great potential as cathodes in Li-ion batteries, mainly because of their large capacities. However, these materials still suffer from structural degradation as the battery is cycled, reducing the average voltage and capacity of the cell. The voltage fade is believed to be related to the migration of transition metals into the lithium layer, linked to the formation of O-O dimers with a short bond length, which in turn is driven by the presence of oxygen holes due to the participation of oxygen in the redox process. We investigate the formation of O-O dimers for partially charged O1-Li<sub>2</sub>MnO<sub>3</sub>using a first-principles density functional theory approach by calculating the reaction energy and kinetic barriers for dimer formation. Next, we perform similar calculations for partially charged O1-Li<sub>2</sub>IrO<sub>3</sub>, a Li-rich material for which the voltage fade was not observed during cycling. When we compare the stability of the oxygen framework, we conclude that the formation of O-O dimers is both thermodynamically and kinetically viable for O1-Li<sub>0.5</sub>MnO<sub>3</sub>. For O1-Li<sub>0.5</sub>IrO<sub>3</sub>, we observe that the oxygen lattice is much more stable, either returning to its original state when perturbed, or resulting in a structure with an O-O dimer that is much higher in energy. This can be explained by the mixed redox process for Li<sub>2</sub>IrO<sub>3</sub>, which is also shown from the calculated magnetic moments. The lack of O-O dimer formation in O1-Li<sub>0.5</sub>IrO<sub>3</sub>provides valuable insight as to why Li<sub>2</sub>IrO<sub>3</sub>does not demonstrate a voltage fade as the battery is cycled, which can be used to design Li-rich battery cathodes with an improved cycling performance.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Times cited: 3
DOI: 10.1557/adv.2019.135
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“The “Historical Materials BAG&rdquo, : a new facilitated access to synchrotron X-ray diffraction analyses for cultural heritage materials at the European Synchrotron Radiation Facility”. Cotte M, Gonzalez V, Vanmeert F, Monico L, Dejoie C, Burghammer M, Huder L, de Nolf W, Fisher S, Fazlic I, Chauffeton C, Wallez G, Jimenez N, Albert-Tortosa F, Salvado N, Possenti E, Colombo C, Ghirardello M, Comelli D, Avranovich Clerici E, Vivani R, Romani A, Costantino C, Janssens K, Taniguchi Y, McCarthy J, Reichert H, Susini J, Molecules: a journal of synthetic chemistry and natural product chemistry 27, 1997 (2022). http://doi.org/10.3390/MOLECULES27061997
Abstract: The European Synchrotron Radiation Facility (ESRF) has recently commissioned the new Extremely Brilliant Source (EBS). The gain in brightness as well as the continuous development of beamline instruments boosts the beamline performances, in particular in terms of accelerated data acquisition. This has motivated the development of new access modes as an alternative to standard proposals for access to beamtime, in particular via the “block allocation group” (BAG) mode. Here, we present the recently implemented “historical materials BAG”: a community proposal giving to 10 European institutes the opportunity for guaranteed beamtime at two X-ray powder diffraction (XRPD) beamlines-ID13, for 2D high lateral resolution XRPD mapping, and ID22 for high angular resolution XRPD bulk analyses-with a particular focus on applications to cultural heritage. The capabilities offered by these instruments, the specific hardware and software developments to facilitate and speed-up data acquisition and data processing are detailed, and the first results from this new access are illustrated with recent applications to pigments, paintings, ceramics and wood.
Keywords: A1 Journal article; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Impact Factor: 4.6
DOI: 10.3390/MOLECULES27061997
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“Effect of endohedral nickel atoms on the hydrophilicity of carbon nanotubes”. Matnazarova S, Khalilov U, Yusupov M, Molecular simulation 49, 1575 (2023). http://doi.org/10.1080/08927022.2023.2254393
Abstract: Carbon nanotubes (CNTs) have been successfully used in biomedicine, including cancer therapy, due to their unique physico-chemical properties. Because pristine CNTs exhibit hydrophobic behaviour, they can have a cytotoxic effect on cells, which limits their practical use in biomedicine. The toxicity of CNTs can be reduced by adding water-soluble functional radicals to their surface, i.e. by increasing their hydrophilicity. Another possibility for increasing the hydrophilicity of CNTs is probably filling them with endohedral metal atoms, which has not yet been studied. Thus, in this study, we use computer simulations to investigate the combined effect of endohedral nickel atoms and functional groups on the hydrophilicity of CNTs. Our simulation results show that the introduction of endohedral nickel atoms into CNTs increases their binding energy with functional groups. We also find that the addition of functional groups to the surface of CNT, along with filling it with endohedral nickel atoms, leads to an increase in the dipole moment of the CNT as well as its interaction energy with water, thereby increasing the hydrophilicity of the CNT and, consequently, its solubility in water. This, in turn, can lead to a decrease in CNT toxicity.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.1
DOI: 10.1080/08927022.2023.2254393
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“The structure and energetics of B3N2, B2N3, and BN4: symmetry breaking effects in B3N2”. Martin JML, El-Yazal J, François JP, Gijbels R, Molecular physics 85, 527 (1995). http://doi.org/10.1080/00268979500101281
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.72
Times cited: 19
DOI: 10.1080/00268979500101281
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“The structure, energetics, and harmonic vibrations of B3N and BN3”. Martin JML, Slanina Z, François JP, Gijbels R, Molecular physics 82, 155 (1994). http://doi.org/10.1080/00268979400100114
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.72
Times cited: 19
DOI: 10.1080/00268979400100114
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“Consistent predictors of microbial community composition across spatial scales in grasslands reveal low context‐dependency”. Radujković, D, Vicca S, van Rooyen M, Wilfahrt P, Brown L, Jentsch A, Reinhart KO, Brown C, De Gruyter J, Jurasinski G, Askarizadeh D, Bartha S, Beck R, Blenkinsopp T, Cahill J, Campetella G, Canullo R, Chelli S, Enrico L, Fraser L, Hao X, Henry HAL, Hohn M, Jouri MH, Koch M, Lawrence Lodge R, Li FY, Lord JM, Milligan P, Minggagud H, Palmer T, Schröder B, Szabó, G, Zhang T, Zimmermann Z, Verbruggen E, Molecular ecology 32, 6924 (2023). http://doi.org/10.1111/MEC.17178
Abstract: Environmental circumstances shaping soil microbial communities have been studied extensively. However, due to disparate study designs, it has been difficult to resolve whether a globally consistent set of predictors exists, or context‐dependency prevails. Here, we used a network of 18 grassland sites (11 of those containing regional plant productivity gradients) to examine (i) if similar abiotic or biotic factors predict both large‐scale (across sites) and regional‐scale (within sites) patterns in bacterial and fungal community composition, and (ii) if microbial community composition differs consistently at two levels of regional plant productivity (low vs. high). Our results revealed that bacteria were associated with particular soil properties (such as base saturation) and both bacteria and fungi were associated with plant community composition across sites and within the majority of sites. Moreover, a discernible microbial community signal emerged, clearly distinguishing high and low‐productivity soils across different grasslands independent of their location in the world. Hence, regional productivity differences may be typified by characteristic soil microbial communities across the grassland biome. These results could encourage future research aiming to predict the general effects of global changes on soil microbial community composition in grasslands and to discriminate fertile from infertile systems using generally applicable microbial indicators.
Keywords: A1 Journal article; Plant and Ecosystems (PLECO) – Ecology in a time of change
Impact Factor: 4.9
DOI: 10.1111/MEC.17178
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“Multiply connected mesoscopic superconductors”. Baelus BJ, Peeters FM, Modern physics letters B
T2 –, 3rd International Conference on Modern Problems in Superconductivity, SEP 09-14, 2002, YALTA, UKRAINE 17, 527 (2003). http://doi.org/10.1142/S021798490300555X
Abstract: Multiply connected mesoscopic: superconductors are considered within the framework of the nonlinear Ginzburg-Landau theory. The two coupled nonlinear equations are solved numerically and we investigated the properties of a superconducting ring, two concentric rings, and an asymmetric ring. We find that (i) for a mesoscopic superconducting ring the flux through the hole is not quantized, (ii) two concentric mesoscopic superconducting rings are magnetically coupled and the interaction energy increases with increasing sample thickness, and (iii) in asymmetric rings, a stationary phase slip state is predicted.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 0.617
DOI: 10.1142/S021798490300555X
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“Inferred phase relations in part of the system Au-Ag-Te: an integrated analytical study of gold ore from the Golden Mile, Kalgoorlie, Australia”. Bindi L, Rossell MD, Van Tendeloo G, Spry PG, Cipriani C, Mineralogy and petrology 83, 283 (2005). http://doi.org/10.1007/s00710-004-0065-1
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.236
Times cited: 15
DOI: 10.1007/s00710-004-0065-1
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“Combined characterization of nanostructures by AEM and STM”. Oleshko V, Gijbels R, Jacob W, Alfimov M, Mikrochimica acta: supplementum 13, 435 (1996)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Obstacles on the road towards atomic resolution tomography”. van Dyck D, Van Aert S, Croitoru MD, Microscoy and microanalysis 11, 238 (2005)
Keywords: A3 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
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“Inclusions in magnetron sputtered YBa2Cu3-x MxO7-d thin films: a study by means of electron microscopy”. Verbist K, Van Tendeloo G, Ye M, Schroeder J, Mehbod M, Deltour R, Microscopy, microanalysis, microstructures 7, 17 (1996). http://doi.org/10.1051/mmm:1996104
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 6
DOI: 10.1051/mmm:1996104
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“Evaluation of top, angle, and side cleaned FIB samples for TEM analysis”. Montoya E, Bals S, Rossell MD, Schryvers D, Van Tendeloo G, Microscopy research and technique 70, 1060 (2007). http://doi.org/10.1002/jemt.20514
Abstract: ITEM specimens of a LaAlO3/SrTiO3 multilayer are prepared by FIB with internal lift out. Using a Ga+1 beam of 5 kV, a final cleaning step yielding top, top-angle, side, and bottom-angle cleaning is performed. Different cleaning procedures, which can be easily implemented in a dual beam FIB system, are described and compared; all cleaning types produce thin lamellae, useful for HRTEM and HAADF-STEM work up to atomic resolution. However, the top cleaned lamellae are strongly affected by the curtain effect. Top-angle cleaned specimens show an amorphous layer of around 5 nm at the specimen surfaces, due to damage and redeposition. Furthermore, it is observed that the LaAlO3 layers are preferentially destroyed and transformed into amorphous material, during the thinning process.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.147
Times cited: 36
DOI: 10.1002/jemt.20514
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“Structural investigations of recently discovered high Tc superconductors”. Van Tendeloo G, Krekels T, Amelinckx S, Babu TGN, Greaves C, Hervieu M, Michel C, Raveau B, Microscopy research and technique 30, 102 (1995). http://doi.org/10.1002/jemt.1070300203
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.154
Times cited: 4
DOI: 10.1002/jemt.1070300203
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“Measurement of the mean inner potential of ZnO nanorods by transmission electron holography”. Müller E, Kruse P, Gerthsen D, Schowalter M, Rosenauer A, Lamoen D, Kling R, Microscopy of Semiconducting Materials 107SPRINGER PROCEEDINGS IN PHYSICS, 303 (2005)
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT)
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“Intergrowth of components and ramps in coffin-shaped ZSM-5 zeolite crystals unraveled by focused ion beam-assisted transmission electron microscopy”. Lu J, Roeffaers MBJ, Bartholomeeusen E, Sels BF, Schryvers D, Microscopy and microanalysis 20, 42 (2014). http://doi.org/10.1017/S1431927613013731
Abstract: Scanning electron microscopy, focused ion beam (FIB), and transmission electron microscopy are combined to study the intergrowth of 90 degrees rotational components and of ramps in coffin-shaped ZSM-5 crystals. The 90 degrees rotational boundaries with local zig-zag features between different intergrowth components are observed in the main part of crystal. Also a new kind of displacement boundary is described. At the displacement boundary there is a shift of the unit cells along the boundary without a change in orientation. Based on lamellae prepared with FIB from different positions of the ramps and crystal, the orientation relationships between ramps and the main part of the crystal are studied and the three-dimensional morphology and growth mechanism of the ramp are illustrated.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.891
Times cited: 7
DOI: 10.1017/S1431927613013731
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“Point defect clusters and dislocations in FIB irradiated nanocrystalline aluminum films : an electron tomography and aberration-corrected high-resolution ADF-STEM study”. Idrissi H, Turner S, Mitsuhara M, Wang B, Hata S, Coulombier M, Raskin J-P, Pardoen T, Van Tendeloo G, Schryvers D, Microscopy and microanalysis 17, 983 (2011). http://doi.org/10.1017/S143192761101213X
Abstract: Focused ion beam (FIB) induced damage in nanocrystalline Al thin films has been characterized using advanced transmission electron microscopy techniques. Electron tomography was used to analyze the three-dimensional distribution of point defect clusters induced by FIB milling, as well as their interaction with preexisting dislocations generated by internal stresses in the Al films. The atomic structure of interstitial Frank loops induced by irradiation, as well as the core structure of Frank dislocations, has been resolved with aberration-corrected high-resolution annular dark-field scanning TEM. The combination of both techniques constitutes a powerful tool for the study of the intrinsic structural properties of point defect clusters as well as the interaction of these defects with preexisting or deformation dislocations in irradiated bulk or nanostructured materials.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.891
Times cited: 25
DOI: 10.1017/S143192761101213X
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