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“Tailoring the functional properties of polyurethane foam with dispersions of carbon nanofiber for power generator applications”. Sathiyamoorthy S, Girijakumari G, Kannan P, Venugopal K, Thiruvottriyur Shanmugam S, Veluswamy P, De Wael K, Ikeda H, Applied surface science 449, 507 (2018). http://doi.org/10.1016/J.APSUSC.2018.01.088
Abstract: To produce effective thermoelectric nanocomposites, carbon nanofibers (CNF) incorporated polyurethane (PU) foams with nanocomposites are prepared via in-situ polymerization method to create a synergy that would produce a high thermopower. The formation mechanism of foams, the reaction kinetics, and the physical properties such as density and water absorption studied before and after CNF incorporation. The microscopy images showed a uniform dispersion of CNF in the PU matrix of the prepared foams. Spectroscopic studies such as X-ray photoelectron and laser Raman spectroscopy suggested the existence of a tight intermolecular binding interaction between the carbon nanofibers and the PU matrix in the prepared composite foams. It found that the thermopower is directly dependent on the concentration of carbon nanofiber since, with rising concentration of 1%3%, the coefficient values increased from 1.2 μV/K to 11.9 μV/K respectively, a value higher than that of earlier report. This unique nanocomposite offers a new opportunity to recycle waste heat in portable/wearable electronics and other applications, which will broaden the development of low weight and mechanical flexibility.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 3.387
Times cited: 4
DOI: 10.1016/J.APSUSC.2018.01.088
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“Intracellular fate of hydrophobic nanocrystal self-assemblies in tumor cells”. Nicolas-Boluda A, Yang Z, Dobryden I, Carn F, Winckelmans N, Pechoux C, Bonville P, Bals S, Claesson PM, Gazeau F, Pileni MP, Advanced Functional Materials 30, 2004274 (2020). http://doi.org/10.1002/ADFM.202004274
Abstract: Control of interactions between nanomaterials and cells remains a biomedical challenge. A strategy is proposed to modulate the intralysosomal distribution of nanoparticles through the design of 3D suprastructures built by hydrophilic nanocrystals (NCs) coated with alkyl chains. The intracellular fate of two water-dispersible architectures of self-assembled hydrophobic magnetic NCs: hollow deformable shells (colloidosomes) or solid fcc particles (supraballs) is compared. These two self-assemblies display increased cellular uptake by tumor cells compared to dispersions of the water-soluble NC building blocks. Moreover, the self-assembly structures increase the NCs density in lysosomes and close to the lysosome membrane. Importantly, the structural organization of NCs in colloidosomes and supraballs are maintained in lysosomes up to 8 days after internalization, whereas initially dispersed hydrophilic NCs are randomly aggregated. Supraballs and colloidosomes are differently sensed by cells due to their different architectures and mechanical properties. Flexible and soft colloidosomes deform and spread along the biological membranes. In contrast, the more rigid supraballs remain spherical. By subjecting the internalized suprastructures to a magnetic field, they both align and form long chains. Overall, it is highlighted that the mechanical and topological properties of the self-assemblies direct their intracellular fate allowing the control intralysosomal density, ordering, and localization of NCs.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19
Times cited: 11
DOI: 10.1002/ADFM.202004274
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“Direct visualization of boron dopant distribution and coordination in individual chemical vapor deposition nanocrystalline B-doped diamond grains”. Lu Y-G, Turner S, Verbeeck J, Janssens SD, Wagner P, Haenen K, Van Tendeloo G, Applied physics letters 101, 041907 (2012). http://doi.org/10.1063/1.4738885
Abstract: The boron dopant distribution in individual heavily boron-doped nanocrystalline diamond film grains, with sizes ranging from 100 to 350nm in diameter, has been studied using a combination of high resolution annular dark field scanning transmission electron microscopy and spatially resolved electron energy-loss spectroscopy. Using these tools, the boron distribution and local boron coordination have been determined. Quantification results reveal embedding of B dopants in the diamond lattice, and a preferential enrichment of boron at defective areas and twin boundaries. Coordination mapping reveals a distinct difference in coordination of the B dopants in “pristine” diamond areas and in defective regions. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4738885]
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 59
DOI: 10.1063/1.4738885
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“Flat GaN epitaxial layers grown on Si(111) by metalorganic vapor phase epitaxy using step-graded AlGaN intermediate layers”. Cheng K, Leys M, Degroote S, van Daele B, Boeykens S, Derluyn J, Germain M, Van Tendeloo G, Engelen J, Borghs G, Journal of electronic materials 35, 592 (2006). http://doi.org/10.1007/s11664-006-0105-1
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.579
Times cited: 102
DOI: 10.1007/s11664-006-0105-1
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“Nonvolatile resistive switching in Pt/LaAlO3/SrTiO3 heterostructures”. Wu S, Luo X, Turner S, Peng H, Lin W, Ding J, David A, Wang B, Van Tendeloo G, Wang J, Wu T;, Physical review X 3, 041027 (2013). http://doi.org/10.1103/PhysRevX.3.041027
Abstract: Resistive switching heterojunctions, which are promising for nonvolatile memory applications, usually share a capacitorlike metal-oxide-metal configuration. Here, we report on the nonvolatile resistive switching in Pt/LaAlO3/SrTiO3 heterostructures, where the conducting layer near the LaAlO3/SrTiO3 interface serves as the unconventional bottom electrode although both oxides are band insulators. Interestingly, the switching between low-resistance and high-resistance states is accompanied by reversible transitions between tunneling and Ohmic characteristics in the current transport perpendicular to the planes of the heterojunctions. We propose that the observed resistive switching is likely caused by the electric-field-induced drift of charged oxygen vacancies across the LaAlO3/SrTiO3 interface and the creation of defect-induced gap states within the ultrathin LaAlO3 layer. These metal-oxide-oxide heterojunctions with atomically smooth interfaces and defect-controlled transport provide a platform for the development of nonvolatile oxide nanoelectronics that integrate logic and memory devices.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 12.789
Times cited: 77
DOI: 10.1103/PhysRevX.3.041027
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“One-step synthesis of shelled PbS nanoparticles in a layered double hydroxide matrix”. Lukashin AV, Eliseev AA, Zhuravleva NG, Vertegel AA, Tretyakov YD, Lebedev OI, Van Tendeloo G, Mendeleev communications , 174 (2004). http://doi.org/10.1070/MC2004v014n04ABEH001973
Abstract: The one-step preparation of capped PbS nanoparticles in an inorganic matrix via UV-induced decomposition of lead thiosulfate complexes intercalated into a hydrotalcite-type layered double hydroxide is reported.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.741
Times cited: 9
DOI: 10.1070/MC2004v014n04ABEH001973
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“Study of the packing of double-walled carbon nanotubes into bundles by transmission electron microscopy and electron diffraction”. Colomer J-F, Henrard L, Van Tendeloo G, Lucas A, Lambin P, Journal of materials chemistry 14, 603 (2004). http://doi.org/10.1039/b311551h
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 27
DOI: 10.1039/b311551h
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“The study of carbon nanotubules produced by catalytic method”. Ivanov V, Nagy JB, Lambin P, Lucas A, Zhang XB, Zhang XF, Bernaerts D, Van Tendeloo G, Amelinckx S, van Landuyt J, Chemical physics letters 223, 329 (1994). http://doi.org/10.1016/0009-2614(94)00467-6
Abstract: Catalytic methods for the production of carbon nanotubules have been developed based on the decomposition of acetylene on well-dispersed metal particles strongly adsorbed on a support. Cobalt on silica was found to be the best catalyst-support combination for the production of graphitic tubules. The method for the catalyst preparation and the reaction conditions were optimized. Straight and coiled carbon tubules were obtained with inner and outer diameter of 3-7 and 15-20 nm, respectively, and up to 30 mum in length. These nanotubules were not coated by amorphous carbon. Traces of amorphous carbon could be removed by hydrogen. High resolution electron microscopy images and electron diffraction patterns of the straight nanotubules were similar to those obtained by the arc-discharge method. Coiled nanotubules were revealed by TEM to be regular polygonized helices where the bends are caused by pairs of pentagon-heptagon carbon rings among the hexagonal network.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.897
Times cited: 405
DOI: 10.1016/0009-2614(94)00467-6
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“Enhanced 77K vortex-pinning in YBa2Cu3O7−x films with Ba2YTaO6 and mixed Ba2YTaO6 + Ba2YNbO6 nano-columnar inclusions with irreversibility field to 11T”. Rizzo F, Augieri A, Angrisani Armenio A, Galluzzi V, Mancini A, Pinto V, Rufoloni A, Vannozzi A, Bianchetti M, Kursumovic A, MacManus-Driscoll JL, Meledin A, Van Tendeloo G, Celentano G, APL materials 4, 061101 (2016). http://doi.org/10.1063/1.4953436
Abstract: Pulsed laser deposited thin YBa2Cu3O7−x (YBCO) films with pinning additions of 5at.% Ba2YTaO6 (BYTO) were compared to films with 2.5at.% Ba2YTaO6 + 2.5at.% Ba2YNbO6 (BYNTO) additions. Excellent magnetic flux-pinning at 77 K was obtained with remarkably high irreversibility fields greater than 10T (YBCO-BYTO) and 11T (YBCO-BYNTO), representing the highest ever achieved values in YBCO films.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.335
Times cited: 19
DOI: 10.1063/1.4953436
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“Origin of the performances degradation of two-dimensional-based metal-oxide-semiconductor field effect transistors in the sub-10 nm regime: A first-principles study”. Lu AKA, Pourtois G, Agarwal T, Afzalian A, Radu IP, Houssa M, Applied physics letters 108, 043504 (2016). http://doi.org/10.1063/1.4940685
Abstract: The impact of the scaling of the channel length on the performances of metal-oxide-semiconductor field effect transistors, based on two-dimensional (2D) channel materials, is theoretically investigated, using density functional theory combined with the non-equilibrium Green's function method. It is found that the scaling of the channel length below 10nm leads to strong device performance degradations. Our simulations reveal that this degradation is essentially due to the tunneling current flowing between the source and the drain in these aggressively scaled devices. It is shown that this electron tunneling process is modulated by the effective mass of the 2D channel material, and sets the limit of the scaling in future transistor designs. (C) 2016 AIP Publishing LLC.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 4
DOI: 10.1063/1.4940685
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“Thermal characterization of polycrystalline diamond thin film heat spreaders grown on GaN HEMTs”. Zhou Y, Ramaneti R, Anaya J, Korneychuk S, Derluyn J, Sun H, Pomeroy J, Verbeeck J, Haenen K, Kuball M, Applied physics letters 111, 041901 (2017). http://doi.org/10.1063/1.4995407
Abstract: Polycrystalline diamond (PCD) was grown onto high-k dielectric passivated AlGaN/GaN-on-Si high electron mobility transistor (HEMT) structures, with film thicknesses ranging from 155 to 1000 nm. Transient thermoreflectance results were combined with device thermal simulations to investigate the heat spreading benefit of the diamond layer. The observed thermal conductivity (k(Dia)) of PCD films is one-to-two orders of magnitude lower than that of bulk PCD and exhibits a strong layer thickness dependence, which is attributed to the grain size evolution. The films exhibit a weak temperature dependence of k(Dia) in the measured 25-225 degrees C range. Device simulation using the experimental jDia and thermal boundary resistance values predicts at best a 15% reduction in peak temperature when the source-drain opening of a passivated AlGaN/GaN-on-Si HEMT is overgrown with PCD. Published by AIP Publishing.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 78
DOI: 10.1063/1.4995407
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“The role of the electrode surface in Na-Air batteries : insights in electrochemical product formation and chemical growth of NaO2”. Lutz L, Corte DAD, Chen Y, Batuk D, Johnson LR, Abakumov A, Yate L, Azaceta E, Bruce PG, Tarascon J-M, Grimaud A, Advanced energy materials 8, 1701581 (2018). http://doi.org/10.1002/AENM.201701581
Abstract: The Na-air battery, because of its high energy density and low charging overpotential, is a promising candidate for low-cost energy storage, hence leading to intensive research. However, to achieve such a battery, the role of the positive electrode material in the discharge process must be understood. This issue is herein addressed by exploring the electrochemical reduction of oxygen, as well as the chemical formation and precipitation of NaO2 using different electrodes. Whereas a minor influence of the electrode surface is demonstrated on the electrochemical formation of NaO2, a strong dependence of the subsequent chemical precipitation of NaO2 is identified. In the origin, this effect stems from the surface energy and O-2/O-2(-) affinity of the electrode. The strong interaction of Au with O-2/O-2(-) increases the nucleation rate and leads to an altered growth process when compared to C surfaces. Consequently, thin (3 mu m) flakes of NaO2 are found on Au, whereas on C large cubes (10 mu m) of NaO2 are formed. This has significant impact on the cell performance and leads to four times higher capacity when C electrodes with low surface energy and O-2/O-2(-) affinity are used. It is hoped that these findings will enable the design of new positive electrode materials with optimized surfaces.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.721
Times cited: 13
DOI: 10.1002/AENM.201701581
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“Alkali metal intercalation in MXene/graphene heterostructures : a new platform for ion battery applications”. Demiroglu I, Peeters FM, Gulseren O, Cakir D, Sevik C, The journal of physical chemistry letters 10, 727 (2019). http://doi.org/10.1021/ACS.JPCLETT.8B03056
Abstract: The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)(2), Ti2CO2, and V2CO2 are systematically investigated by using first-principles methods. We found that alkali metal intercalation is energetically favorable and thermally stable for Ti2CO2/graphene and V2CO2/graphene heterostructures but not for Sc2C(OH)(2). Diffusion kinetics calculations showed the advantage of MXene/graphene heterostructures over sole MXene systems as the energy barriers are halved for the considered alkali metals. Low energy barriers are found for Na and K ions, which are promising for fast charge/discharge rates. Calculated voltage profiles reveal that estimated high capacities can be fully achieved for Na ion in V2CO2/graphene and Ti2CO2/graphene heterostructures. Our results indicate that Ti2CO2/graphene and V2CO2/graphene electrode materials are very promising for Na ion battery applications. The former could be exploited for low voltage applications while the latter will be more appropriate for higher voltages.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 9.353
Times cited: 88
DOI: 10.1021/ACS.JPCLETT.8B03056
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“An improved electrochemical aptasensor for chloramphenicol detection based on aptamer incorporated gelatine”. Hamidi-Asl E, Dardenne F, Blust R, De Wael K, Sensors 15, 7605 (2015). http://doi.org/10.3390/S150407605
Abstract: Because of the biocompatible properties of gelatine and the good affinity of aptamers for their targets, the combination of aptamer and gelatine type B is reported as promising for the development of biosensing devices. Here, an aptamer for chloramphenicol (CAP) is mixed with different types of gelatine and dropped on the surface of disposable gold screen printed electrodes. The signal of the CAP reduction is investigated using differential pulse voltammetry. The diagnostic performance of the sensor is described and a detection limit of 1.83 x 10(-10) M is found. The selectivity and the stability of the aptasensor are studied and compared to those of other CAP sensors described in literature.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 2.677
Times cited: 21
DOI: 10.3390/S150407605
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“Effect of hydrostatic pressure on lone pair activity and phonon transport in Bi₂O₂S”. Yedukondalu N, Pandey T, Roshan SCR, ACS applied energy materials 6, 2401 (2023). http://doi.org/10.1021/ACSAEM.2C03725
Abstract: Dibismuth dioxychalcogenides, Bi2O2Ch (Ch = S, Se, Te), are a promising class of materials for next-generation electronics and thermoelectrics due to their ultrahigh carrier mobility and excellent air stability. An interesting member of this family is Bi2O2S, which has a stereochemically active 6s2 lone pair of Bi3+ cations, heterogeneous bonding, and a high mass contrast between its constituent elements. In the present study, we have used first-principles calculations in combination with Boltzmann transport theory to systematically investigate the effect of hydrostatic pressure on lattice dynamics and phonon transport properties of Bi2O2S. We found that the ambient Pnmn phase has a low average lattice thermal conductivity (kappa l) of 1.71 W/(m K) at 300 K. We also predicted that Bi2O2S undergoes a structural phase transition from a low-symmetry (Pnmn) to a high-symmetry (I4/mmm) structure at around 4 GPa due to centering of Bi3+ cations with pressure. Upon compression, the lone pair activity of Bi3+ cations is suppressed, which increases kappa l by almost 3 times to 4.92 W/ (m K) at 5 GPa for the I4/mmm phase. The computed phonon lifetimes and Gru''neisen parameters show that anharmonicity decreases with increasing pressure due to further suppression of the lone pair activity and strengthening of intra-and intermolecular interactions, leading to an average room-temperature kappa l of 12.82 W/(m K) at 20 GPa. Overall, this study provides a comprehensive understanding of the effect of hydrostatic pressure on the stereochemical activity of the lone pair of Bi3+ cations and its implications on the phonon transport properties of Bi2O2S.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 6.4
DOI: 10.1021/ACSAEM.2C03725
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“Atmospheric trace element concentrations in Jerusalem, Israel”. Malenky B, Van Grieken R, Van 't dack L, Luria M, Atmospheric environment 17, 819 (1983). http://doi.org/10.1016/0004-6981(83)90432-8
Abstract: Trace elements found in aerosols were monitored in Jerusalem during the 1979 winter season utilizing an X-ray fluoresence technique. Most of the particulate mass was associated with the natural soil elements, such as Ca, Fe, K and Ti. Only a small fraction of the mass was comprised of elements clearly emitted from human sources, e.g. Pb, Br, V, Ni and Zn. An excellent correspondence was found between the enrichment factors observed in this study and those postulated for other parts of the world. However, the concentration of Ca and Sr in the Jerusalem suspended dust is substantially higher when compared with world averages of urban aerosols.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0004-6981(83)90432-8
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“Laser microprobe mass spectrometry of platinum in dog kidney after cisplatin adminstration”. Verbueken AH, Van Grieken RE, Paulus GJ, Verpooten GA, de Broe ME, Biomedical mass spectrometry 11, 159 (1984). http://doi.org/10.1002/BMS.1200110404
Abstract: By means of laser microprobe mass analysis (LAMMA) platinum was detected in the renal proximal tubular cells of a dog that had been intravenously adminstered the antitumor drug cisplatin (5 mg per kg body weight). No definite subcellular localization of the heavy metal was obtained. Sample prparation and analytical features are examined to increase spatial resolution of analysis while maintaining sufficient detection efficiency. The LAMMA method is destructive, but the amount and type of evaporated material can readily be determined when using LAMMA in combination with transmission electron microscopy. Instrumental optimization and standardization of mass signals is possible by using platinum-loaded, ion chelating resin beads embedded and sectioned with the tissue.
Keywords: A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1002/BMS.1200110404
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“On the electrostatic control achieved in transistors based on multilayered MoS2 : a first-principles study”. Lu AKA, Pourtois G, Luisier M, Radu IP, Houssa M, Journal of applied physics 121, 044505 (2017). http://doi.org/10.1063/1.4974960
Abstract: In this work, the electrostatic control in metal-oxide-semiconductor field-effect transistors based on MoS2 is studied, with respect to the number of MoS2 layers in the channel and to the equivalent oxide thickness of the gate dielectric, using first-principles calculations combined with a quantum transport formalism. Our simulations show that a compromise exists between the drive current and the electrostatic control on the channel. When increasing the number of MoS2 layers, a degradation of the device performances in terms of subthreshold swing and OFF currents arises due to the screening of the MoS2 layers constituting the transistor channel. Published by AIP Publishing.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1063/1.4974960
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“Role of the carbon support on the oxygen reduction and evolution activities in LaNiO3 composite electrodes in alkaline solution”. Alexander CT, Abakumov AM, Forslund RP, Johnston KP, Stevenson KJ, ACS applied energy materials 1, 1549 (2018). http://doi.org/10.1021/ACSAEM.7B00339
Abstract: Metal-air batteries and fuel cells show a great deal of promise in advancing low-cost, high-energy-density charge storage solutions for sustainable energy applications. To improve the activities and stabilities of electrocatalysts for the critical oxygen reduction and evolution reactions (ORR and OER, respectively), a greater understanding is needed of the catalyst/carbon interactions and carbon stability. Herein, we report how LaNiO3 (LNO) supported on nitrogen-doped carbon nanotubes (N-CNT) made from a high-yield synthesis lowers the overpotential for both the OER and ORR markedly to enable a low bifunctional window of 0.81 V at only a 51 mu g cm(-2) mass loading. Furthermore, the addition of LNO to the N-CNTs improves the galvanostatic stability for the OER by almost 2 orders of magnitude. The nanoscale geometries of the perovskites and the CNTs enhance the number of metal-support and charge transfer interactions and thus the activity. We use rotating ring disk electrodes (RRDEs) combined with Tafel slope analysis and ICP-OES to quantitatively separate current contributions from the OER, carbon oxidation, and even anodic iron leaching from carbon nanotubes.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.1021/ACSAEM.7B00339
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“Contrasting responses of fine root biomass and traits to large-scale nitrogen and phosphorus addition in tropical forests in the Guiana shield”. Lugli LF, Fuchslueger L, Vallicrosa H, Van Langenhove L, Ranits C, Garberi PRF, Verryckt L, Grau O, Brechet L, Peguero G, Llusia J, Ogaya R, Marquez L, Portillo-Estrada M, Ramirez-Rojas I, Courtois E, Stahl C, Sardans J, Penuelas J, Verbruggen E, Janssens I, Oikos: a journal of ecology 2024, e10412 (2024). http://doi.org/10.1111/OIK.10412
Abstract: Fine roots mediate plant nutrient acquisition and growth. Depending on soil nutrient availability, plants can regulate fine root biomass and morphological traits to optimise nutrient acquisition. Little is known, however, about the importance of these parameters influencing forest functioning. In this study, we measured root responses to nutrient additions to gain a mechanistic understanding of plant adaptations to nutrient limitation in two tropical forests in French Guiana, differing twofold in their soil nutrient statuses. We analysed the responses of root biomass, mean root diameter (RD), specific root length (SRL), specific root area (SRA), root tissue density (RTD) and carbon (C), nitrogen (N) and phosphorus (P) concentrations in roots down to 15 cm soil depth after three years of N and P additions. At the lower-fertility site Paracou, no changes in root biomass or morphological traits were detected with either N or P addition, although P concentrations in roots increased with P addition. In the higher fertility site, Nouragues, root biomass and P concentrations in roots increased with P addition, with no changes in morphological traits. In contrast, N addition shifted root traits from acquisitive to more conservative by increasing RTD. A significant interaction between N and P in Nouragues pointed to stronger responses to P addition in the absence of N. Our results suggest that the magnitude and direction of root biomass and trait expression were regulated by soil fertility, corroborated by the response to N or P additions. At low fertility sites, we found lower plasticity in root trait expression compared to more fertile conditions, where N and P additions caused stronger and antagonistic responses. Identifying the exact role of mechanisms affecting root nutrient uptake in Amazon forests growing in different soils will be crucial to foresee if and how rapid global changes can affect their carbon allocation.
Keywords: A1 Journal article; Engineering sciences. Technology; Plant and Ecosystems (PLECO) – Ecology in a time of change
Impact Factor: 3.4
DOI: 10.1111/OIK.10412
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“Transition from single-file to two-dimensional diffusion of interacting particles in a quasi-one-dimensional channel”. Lucena D, Tkachenko DV, Nelissen K, Misko VR, Ferreira WP, Farias GA, Peeters FM, Physical review : E : statistical, nonlinear, and soft matter physics 85, 031147 (2012). http://doi.org/10.1103/PhysRevE.85.031147
Abstract: Diffusive properties of a monodisperse system of interacting particles confined to a quasi-one-dimensional channel are studied using molecular dynamics simulations. We calculate numerically the mean-squared displacement (MSD) and investigate the influence of the width of the channel (or the strength of the confinement potential) on diffusion in finite-size channels of different shapes (i.e., straight and circular). The transition from single-file diffusion to the two-dimensional diffusion regime is investigated. This transition [ regarding the calculation of the scaling exponent (alpha) of the MSD <Delta x(2)(t)> proportional to t(alpha)] as a function of the width of the channel is shown to change depending on the channel's confinement profile. In particular, the transition can be either smooth (i.e., for a parabolic confinement potential) or rather sharp (i.e., for a hard-wall potential), as distinct from infinite channels where this transition is abrupt. This result can be explained by qualitatively different distributions of the particle density for the different confinement potentials.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.366
Times cited: 38
DOI: 10.1103/PhysRevE.85.031147
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“Assessment of sulfur-functionalized MXenes for li-ion battery applications”. Siriwardane EMD, Demiroglu I, Sevik C, Peeters FM, Çakir D, Journal Of Physical Chemistry C 124, 21293 (2020). http://doi.org/10.1021/ACS.JPCC.0C05287
Abstract: The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 3.7
Times cited: 24
DOI: 10.1021/ACS.JPCC.0C05287
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“Plasma-enabled catalyst-free conversion of ethanol to hydrogen gas and carbon dots near room temperature”. Zhou R, Zhou R, Xian Y, Fang Z, Lu X, Bazaka K, Bogaerts A, Ostrikov K(K), Chemical Engineering Journal 382, 122745 (2020). http://doi.org/10.1016/J.CEJ.2019.122745
Abstract: Selective conversion of bio-renewable ethanol under mild conditions especially at room temperature remains a major challenge for sustainable production of hydrogen and valuable carbon-based materials. In this study, adaptive non-thermal plasma is applied to deliver pulsed energy to rapidly and selectively reform ethanol in the absence of a catalyst. Importantly, the carbon atoms in ethanol that would otherwise be released into the environment in the form of CO or CO2 are effectively captured in the form of carbon dots (CDs). Three modes of non-thermal spark plasma discharges, i.e. single spark mode (SSM), multiple spark mode (MSM) and gliding spark mode (GSM), provide additional flexibility in ethanol reforming by controlling the processes of energy transfer and distribution, thereby affecting the flow rate, gas content, and energy consumption in H-2 production. A favourable combination of low temperature (< 40 degrees C), attractive conversion rate (gas flow rate of similar to 120 mL/min), high hydrogen yield (H-2 content > 90%), low energy consumption (similar to 0.96 kWh/m(3) H-2) and the effective generation of photoluminescent CDs (which are applicable for bioimaging or biolabelling) in the MSM indicate that the proposed strategy may offer a new carbon-negative avenue for comprehensive utilization of alcohols and mitigating the increasingly severe energy and environmental issues.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 15.1
Times cited: 20
DOI: 10.1016/J.CEJ.2019.122745
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“Element Specific Monolayer Depth Profiling”. Macke S, Radi A, Hamann-Borrero JE, Verna A, Bluschke M, Brück S, Goering E, Sutarto R, He F, Cristiani G, Wu M, Benckiser E, Habermeier H-U, Logvenov G, Gauquelin N, Botton GA, Kajdos AP, Stemmer S, Sawatzky GA, Haverkort MW, Keimer B, Hinkov V, Advanced Materials 26, 6554 (2014). http://doi.org/10.1002/adma.201402028
Abstract: The electronic phase behavior and functionality of interfaces and surfaces in complex materials are strongly correlated to chemical composition profiles, stoichiometry and intermixing. Here a novel analysis scheme for resonant X-ray reflectivity maps is introduced to determine such profiles, which is element specific and non-destructive, and which exhibits atomic-layer resolution and a probing depth of hundreds of nanometers.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT)
Impact Factor: 19.791
Times cited: 34
DOI: 10.1002/adma.201402028
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“Electrostatic force-driven oxide heteroepitaxy for interface control”. Ren Z, Wu M, Chen X, Li W, Li M, Wang F, Tian H, Chen J, Xie Y, Mai J, Li X, Lu X, Lu Y, Zhang H, Van Tendeloo G, Zhang Z, Han G, Advanced materials 30, 1707017 (2018). http://doi.org/10.1002/ADMA.201707017
Abstract: Oxide heterostructure interfaces create a platform to induce intriguing electric and magnetic functionalities for possible future devices. A general approach to control growth and interface structure of oxide heterostructures will offer a great opportunity for understanding and manipulating the functionalities. Here, it is reported that an electrostatic force, originating from a polar ferroelectric surface, can be used to drive oxide heteroepitaxy, giving rise to an atomically sharp and coherent interface by using a low-temperature solution method. These heterostructures adopt a fascinating selective growth, and show a saturation thickness and the reconstructed interface with concentrated charges accumulation. The ferroelectric polarization screening, developing from a solid-liquid interface to the heterostructure interface, is decisive for the specific growth. At the interface, a charge transfer and accumulation take place for electrical compensation. The facile approach presented here can be extremely useful for controlling oxide heteroepitaxy and producing intriguing interface functionality via electrostatic engineering.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19.791
Times cited: 4
DOI: 10.1002/ADMA.201707017
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“Surface enhanced Raman scattering of silver sensitized cobalt nanoparticles in metaldielectric nanocomposites”. Margueritat J, Gonzalo J, Afonso CN, Hörmann U, Van Tendeloo G, Mlayah A, Murray DB, Saviot L, Zhou Y, Hong MH, Luk'yanchuk BS, Nanotechnology 19, 375701 (2008). http://doi.org/10.1088/0957-4484/19/37/375701
Abstract: We report the preparation of a new type of nanocomposite containing cobalt and silver nanoparticles organized in parallel layers with a well controlled separation. This arrangement allows the observation of an enhanced low-frequency Raman signal at the vibration frequency of cobalt nanoparticles excited through the surface plasmons of silver nanoparticles. Numerical simulations of the electric field confirm the emergence of hot spots when the separation between silver and cobalt nanoparticles is small enough.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.44
Times cited: 11
DOI: 10.1088/0957-4484/19/37/375701
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“Electrochemical evidence for neuroglobin activity on NO at physiological concentrations”. Trashin S, De Jong M, Luyckx E, Dewilde S, De Wael K, Journal of biological chemistry 291, 18959 (2016). http://doi.org/10.1074/JBC.M116.730176
Abstract: The true function of neuroglobin (Ngb) and, particularly, human Ngb (NGB) has been under debate since its discovery 15 years ago. It has been expected to play a role in oxygen binding/supply, but a variety of other functions have been put forward, including NO dioxygenase activity. However, in vitro studies that could unravel these potential roles have been hampered by the lack of an Ngb-specific reductase. In this work, we used electrochemical measurements to investigate the role of an intermittent internal disulfide bridge in determining NO oxidation kinetics at physiological NO concentrations. The use of a polarized electrode to efficiently interconvert the ferric (Fe3+) and ferrous (Fe2+) forms of an immobilized NGB showed that the disulfide bridge both defines the kinetics of NO dioxygenase activity and regulates appearance of the free ferrous deoxy-NGB, which is the redox active form of the protein in contrast to oxy-NGB. Our studies further identified a role for the distal histidine, interacting with the hexacoordinated iron atom of the heme, in oxidation kinetics. These findings may be relevant in vivo, for example in blocking apoptosis by reduction of ferric cytochrome c, and gentle tuning of NO concentration in the tissues.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 4.125
Times cited: 11
DOI: 10.1074/JBC.M116.730176
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“GPU-advanced 3D electromagnetic simulations of superconductors in the Ginzburg-Landau formalism”. Stosic D, Stosic D, Ludermir T, Stosic B, Milošević, MV, Journal of computational physics 322, 183 (2016). http://doi.org/10.1016/J.JCP.2016.06.040
Abstract: Ginzburg-Landau theory is one of the most powerful phenomenological theories in physics, with particular predictive value in superconductivity. The formalism solves coupled nonlinear differential equations for both the electronic and magnetic responsiveness of a given superconductor to external electromagnetic excitations. With order parameter varying on the short scale of the coherence length, and the magnetic field being long-range, the numerical handling of 3D simulations becomes extremely challenging and time-consuming for realistic samples. Here we show precisely how one can employ graphics-processing units (GPUs) for this type of calculations, and obtain physics answers of interest in a reasonable time-frame – with speedup of over 100x compared to best available CPU implementations of the theory on a 2563grid. (C) 2016 Elsevier Inc. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.744
Times cited: 4
DOI: 10.1016/J.JCP.2016.06.040
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“Homojunction of oxygen and titanium vacancies and its interfacial n-p effect”. Wu S-M, Liu X-L, Lian X-L, Tian G, Janiak C, Zhang Y-X, Lu Y, Yu H-Z, Hu J, Wei H, Zhao H, Chang G-G, Van Tendeloo G, Wang L-Y, Yang X-Y, Su B-L, Advanced materials 30, 1802173 (2018). http://doi.org/10.1002/ADMA.201802173
Abstract: The homojunction of oxygen/metal vacancies and its interfacial n-p effect on the physiochemical properties are rarely reported. Interfacial n-p homojunctions of TiO2 are fabricated by directly decorating interfacial p-type titanium-defected TiO2 around n-type oxygen-defected TiO2 nanocrystals in amorphous-anatase homogeneous nanostructures. Experimental measurements and theoretical calculations on the cell lattice parameters show that the homojunction of oxygen and titanium vacancies changes the charge density of TiO2; a strong EPR signal caused by oxygen vacancies and an unreported strong titanium vacancies signal of 2D H-1 TQ-SQ MAS NMR are present. Amorphous-anatase TiO2 shows significant performance regarding the photogeneration current, photocatalysis, and energy storage, owing to interfacial n-type to p-type conductivity with high charge mobility and less structural confinement of amorphous clusters. A new homojunction of oxygen and titanium vacancies concept, characteristics, and mechanism are proposed at an atomic-/nanoscale to clarify the generation of oxygen vacancies and titanium vacancies as well as the interface electron transfer.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19.791
Times cited: 39
DOI: 10.1002/ADMA.201802173
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“Unveiling the electronic structure of pseudotetragonal WO₃, thin films”. Mazzola F, Hassani H, Amoroso D, Chaluvadi SK, Fujii J, Polewczyk V, Rajak P, Koegler M, Ciancio R, Partoens B, Rossi G, Vobornik I, Ghosez P, Orgiani P, The journal of physical chemistry letters 14, 7208 (2023). http://doi.org/10.1021/ACS.JPCLETT.3C01546
Abstract: WO3 isa 5d compound that undergoes severalstructuraltransitions in its bulk form. Its versatility is well-documented,with a wide range of applications, such as flexopiezoelectricity,electrochromism, gating-induced phase transitions, and its abilityto improve the performance of Li-based batteries. The synthesis ofWO(3) thin films holds promise in stabilizing electronicphases for practical applications. However, despite its potential,the electronic structure of this material remains experimentally unexplored.Furthermore, its thermal instability limits its use in certain technologicaldevices. Here, we employ tensile strain to stabilize WO3 thin films, which we call the pseudotetragonal phase, and investigateits electronic structure using a combination of photoelectron spectroscopyand density functional theory calculations. This study reveals theFermiology of the system, notably identifying significant energy splittingsbetween different orbital manifolds arising from atomic distortions.These splittings, along with the system's thermal stability,offer a potential avenue for controlling inter- and intraband scatteringfor electronic applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 5.7
DOI: 10.1021/ACS.JPCLETT.3C01546
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