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“Luminescence of oxyfluoride glasses co-doped with Ag nanoclusters and Yb3+ ions”. Tikhomirov VK, Vosch T, Fron E, Rodríguez VD, Velázquez JJ, Kirilenko D, Van Tendeloo G, Hofkens J, Van der Auweraer M, Moshchalkov VV, RSC advances 2, 1496 (2012). http://doi.org/10.1039/c1ra01026c
Abstract: Bulk oxyfluoride glasses co-doped with Ag nanoclusters and Yb3+ ions have been prepared by a melt quenching technique. When excited in the absorption band of the Ag nanoclusters between 300 to 500 nm, these glasses emit a broad band characteristic of the Ag nanoclusters between 400 to 750 nm as well as an emission band between 900 to 1100 nm, originating from Yb3+ ions. The intensity ratio of the Yb3+/Ag emission bands increases with the Ag doping level at a fixed concentration of Yb3+, indicating the presence of energy transfer mechanism from the Ag nanoclusters to the Yb3+ ions. Comparison of time-resolved decay kinetics of the luminescence in the respectively Ag nanocluster-Yb3+ co-doped and single Ag nanocluster doped glasses, hints towards an energy transfer from the red and infrared emitting Ag nanoclusters to the Yb3+ ions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.108
Times cited: 46
DOI: 10.1039/c1ra01026c
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“Magnetopolaron effect on shallow donors in GaAs”. Cheng J-P, McCombe BD, Shi JM, Peeters FM, Devreese JT, Physical review : B : condensed matter and materials physics 48, 7910 (1993)
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.736
Times cited: 46
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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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“The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge”. De Bie C, van Dijk J, Bogaerts A, The journal of physical chemistry: C : nanomaterials and interfaces 119, 22331 (2015). http://doi.org/10.1021/acs.jpcc.5b06515
Abstract: A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 46
DOI: 10.1021/acs.jpcc.5b06515
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“Pinning and depinning of a classic quasi-one-dimensional Wigner crystal in the presence of a constriction”. Piacente G, Peeters FM, Physical review : B : condensed matter and materials physics 72, 205208 (2005). http://doi.org/10.1103/PhysRevB.72.205208
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 46
DOI: 10.1103/PhysRevB.72.205208
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“Single layer vs bilayer graphene : a comparative study of the effects of oxygen plasma treatment on their electronic and optical properties”. Nourbakhsh A, Cantoro M, Klekachev AV, Pourtois G, Vosch T, Hofkens J, van der Veen MH, Heyns MM, de Gendt S, Sels BF, The journal of physical chemistry: C : nanomaterials and interfaces 115, 16619 (2011). http://doi.org/10.1021/jp203010z
Abstract: This contribution presents the effects of a mild O2 plasma treatment on the structural, optical, and electrical properties of single-layer (SLG) and bilayer graphene (BLG). Unexpectedly, we observe only photoluminescence in the SLG parts of a graphene flake composed of regions of various thickness upon O2 plasma treatment, whereas the BLG and few-layer graphene (FLG) parts remain optically unchanged. Confirmed with X-ray photoelectron spectroscopy (XPS) that O2 plasma induces epoxide and hydroxyl-like groups in graphene, density functional theory (DFT) calculations are carried out on representative epoxidized and hydroxylated SLG and BLG models to predict density of states (DOS) and band structures. Sufficiently oxidized SLG shows a bandgap and thus loss of semimetallic behavior, while oxidized BLG maintains its semimetallic behavior even at high oxygen density in agreement with the results of the photoluminescence spectroscopy (PL) experiments. DFT calculations confirm that the Fermi velocity in epoxidized BLG is remarkably comparable with that of pristine SLG, pointing to a similarity of electronic band structure. The similarity is also experimentally demonstrated by the electrical characterization of a plasma-treated BLG-FET. As expected from the electronegative oxygen adatoms in the graphene, epoxidized BLG presents conductive features typical of hole doping. Moreover, the electrical characteristics suggest band structures closely related to that of epoxidized graphene while deviating from that of hydroxylated graphene. Finally, upon O2 plasma treatment of BLG, the four-component 2D peak around 2700 cm1 in the Raman spectrum evolves into a single Lorentzian line, very like the 2D peak of pristine SLG. Summarizing, the data in this contribution recommend that a controlled O2 plasma treatment, which is compatible with CMOS process flow in contrast to wet chemical oxidation methods, provides an efficient and valuable technique to exploit the transport properties of the bottom layer of BLG.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 46
DOI: 10.1021/jp203010z
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“Solving the structure of Li ion battery materials with precession electron diffraction : application to Li2CoPo4F”. Hadermann J, Abakumov AM, Turner S, Hafideddine Z, Khasanova NR, Antipov EV, Van Tendeloo G, Chemistry of materials 23, 3540 (2011). http://doi.org/10.1021/cm201257b
Abstract: The crystal structure of the Li2CoPO4F high-voltage cathode for Li ion rechargeable batteries has been completely solved from precession electron diffraction (PED) data, including the location of the Li atoms. The crystal structure consists of infinite chains of CoO4F2 octahedra sharing common edges and linked into a 3D framework by PO4 tetrahedra. The chains and phosphate anions together delimit tunnels filled with the Li atoms. This investigation demonstrates that PED can be successfully applied for obtaining structural information on a variety of Li-containing electrode materials even from single micrometer-sized crystallites.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 46
DOI: 10.1021/cm201257b
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“Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane”. Dzhurakhalov AA, Peeters FM, Carbon 49, 3258 (2011). http://doi.org/10.1016/j.carbon.2011.03.052
Abstract: Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES)
Impact Factor: 6.337
Times cited: 46
DOI: 10.1016/j.carbon.2011.03.052
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“Synthesis, crystal structure, and magnetic properties of a novel layered manganese oxide Sr2MnGaO5+\delta”. Abakumov AM, Rozova MG, Pavlyuk BP, Lobanov MV, Antipov EV, Lebedev OI, Van Tendeloo G, Ignatchik OL, Ovtchenkov EA, Koksharov YA, Vasil'ev AN, Journal of solid state chemistry 160, 353 (2001). http://doi.org/10.1006/jssc.2001.9240
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 46
DOI: 10.1006/jssc.2001.9240
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“Synthesis of highly luminescent silica-coated CdSe/CdS nanorods”. Pietra F, van Dijk-Moes RJA, Ke X, Bals S, Van Tendeloo G, de Mello Donega C, Vanmaekelbergh D, Chemistry of materials 25, 3427 (2013). http://doi.org/10.1021/cm401169t
Abstract: CdSe(core)/CdS(shell) nanorods (NRs) have been extensively investigated for their unique optical properties, such as high photoluminescence (PL) quantum efficiency (QE) and polarized light emission. The incorporation of these NRs in silica (SiO2) is of high interest, since this renders them processable in polar solvents while increasing their photochemical stability, which would be beneficial for their application in LEDs and as biolabels. We report the synthesis of highly luminescent silica-coated CdSe/CdS NRs, by using the reverse micelle method. The mechanism for the encapsulation of the NRs in silica is unravelled and shown to be strongly influenced by the NR shape and its asymmetry. This is attributed to both the different morphology and the different crystallographic nature of the facets terminating the opposite tips of the NRs. These results lead to the formation of a novel class of NR architectures, whose symmetry can be controlled by tuning the degree of coverage of the silica shell. Interestingly, the encapsulation of the NRs in silica leads to a remarkable increase in their photostability, while preserving their optical properties.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 46
DOI: 10.1021/cm401169t
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“TEM investigation of the microstructure and defects of CuZr martensite: 1: morphology and twin systems”. Seo JW, Schryvers D, Acta materialia 46, 1165 (1998). http://doi.org/10.1016/S1359-6454(97)00333-9
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.301
Times cited: 46
DOI: 10.1016/S1359-6454(97)00333-9
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“KNd(MoO4)2: a new incommensurate modulated structure in the scheelite family”. Morozov VA, Arakcheeva AV, Chapuis G, Guiblin N, Rossell MD, Van Tendeloo G, Chemistry of materials 18, 4075 (2006). http://doi.org/10.1021/cm0605668
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 46
DOI: 10.1021/cm0605668
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“Thermal rippling behavior of graphane”. Costamagna S, Neek-Amal M, Los JH, Peeters FM, Physical review : B : condensed matter and materials physics 86, 041408 (2012). http://doi.org/10.1103/PhysRevB.86.041408
Abstract: Thermal fluctuations of single layer hydrogenated graphene (graphane) are investigated using large scale atomistic simulations. By analyzing the mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures, we show that hydrogenated graphene is an unrippled system in contrast to graphene. The height fluctuations are bounded, which is confirmed by a H(q) tending to a constant in the long wavelength limit instead of showing the characteristic scaling law q(4-eta)(eta similar or equal to 0.85) predicted by membrane theory. This unexpected behavior persists up to temperatures of at least 900 K and is a consequence of the fact that in graphane the thermal energy can be accommodated by in-plane bending modes, i.e., modes involving C-C-C bond angles in the buckled carbon layer, instead of leading to significant out-of-plane fluctuations that occur in graphene.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 46
DOI: 10.1103/PhysRevB.86.041408
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“Three-dimensional density profiles of sputtered atoms and ions in a direct current glow discharge: experimental study and comparison with calculations”. Bogaerts A, Wagner E, Smith BW, Winefordner JD, Pollmann D, Harrison WW, Gijbels R, Spectrochimica acta: part B : atomic spectroscopy 52, 205 (1997)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 46
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“Time-dependent simulations of electron transport through a quantum ring: effect of the Lorentz force”. Szafran B, Peeters FM, Physical review : B : condensed matter and materials physics 72, 165301 (2005). http://doi.org/10.1103/PhysRevB.72.165301
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 46
DOI: 10.1103/PhysRevB.72.165301
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“Transmission electron microscopy and electron energy-loss spectroscopy analysis of manganese oxide nanowires”. Du GH, Yuan ZY, Van Tendeloo G, Applied physics letters 86 (2005). http://doi.org/10.1063/1.1861963
Abstract: Single-crystalline MnOOH and Mn3O4 nanowires have been prepared by hydrothermal treatment of commercial bulky manganese oxide particles. beta-MnO2 and alpha-Mn2O3 nanowires were prepared by calcination of MnOOH nanowires. Transmission electron microscopy analysis demonstrates that MnOOH nanowires grow directly from MnO2 raw particles. The diameter of the nanowires is 20-70 nm, while the length can reach several micrometers. MnOOH nanowires grow preferentially along the [010] direction and Mn3O4 nanowires prefer to grow along the [001] direction; the long dimension of both beta-MnO2 and alpha-Mn2O3 nanowires is along [001]. Electron energy-loss spectroscopy analysis shows that the position of the prepeak of the oxygen K edge shifts to higher energy and the energy separation between the two main peaks of the oxygen K edge decreases with decreasing manganese oxidation state. The manganese-white-line ratios (L-3/L-2) were calculated. (C) 2005 American Institute of Physics.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 46
DOI: 10.1063/1.1861963
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“AVPO4F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries”. Fedotov SS, Khasanova NR, Samarin AS, Drozhzhin OA, Batuk D, Karakulina OM, Hadermann J, Abakumov AM, Antipov EV, Chemistry of materials 28, 411 (2016). http://doi.org/10.1021/acs.chemmater.5b04065
Abstract: A novel potassium-based fluoride-phosphate, KVPO4F, with a KTiOPO4 (KTP) type structure is synthesized and characterized. About 85% of potassium has been electrochemically extracted on oxidation producing a cathode material with attractive performance for Li-ion batteries. The material operates at the electrode potential near 4V vs Li/Li+ exhibiting a sloping voltage profile, extremely low polarization, small volume change of about 2% and excellent rate capability, maintaining more than 75% of the initial capacity at 40C discharge rate without significant fading.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 46
DOI: 10.1021/acs.chemmater.5b04065
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“Unscrambling Mixed Elements using High Angle Annular Dark Field Scanning Transmission Electron Microscopy”. van den Bos KH W, De Backer A, Martinez GT, Winckelmans N, Bals S, Nellist PD, Van Aert S, Physical review letters 116, 246101 (2016). http://doi.org/10.1103/PhysRevLett.116.246101
Abstract: The development of new nanocrystals with outstanding physicochemical properties requires a full threedimensional (3D) characterization at the atomic scale. For homogeneous nanocrystals, counting the number of atoms in each atomic column from high angle annular dark field scanning transmission electron microscopy images has been shown to be a successful technique to get access to this 3D information. However, technologically important nanostructures often consist of more than one chemical element. In order to extend atom counting to heterogeneous materials, a new atomic lensing model is presented. This model takes dynamical electron diffraction into account and opens up new possibilities for unraveling the 3D composition at the atomic scale. Here, the method is applied to determine the 3D structure of Au@Ag core-shell nanorods, but it is applicable to a wide range of heterogeneous complex nanostructures.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 8.462
Times cited: 46
DOI: 10.1103/PhysRevLett.116.246101
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“Anomalous dynamical behavior of freestanding graphene membranes”. Ackerman ML, Kumar P, Neek-Amal M, Thibado PM, Peeters FM, Singh S, Physical review letters 117, 126801 (2016). http://doi.org/10.1103/PHYSREVLETT.117.126801
Abstract: We report subnanometer, high-bandwidth measurements of the out-of-plane (vertical) motion of atoms in freestanding graphene using scanning tunneling microscopy. By tracking the vertical position over a long time period, a 1000-fold increase in the ability to measure space-time dynamics of atomically thin membranes is achieved over the current state-of-the-art imaging technologies. We observe that the vertical motion of a graphene membrane exhibits rare long-scale excursions characterized by both anomalous mean-squared displacements and Cauchy-Lorentz power law jump distributions.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 8.462
Times cited: 46
DOI: 10.1103/PHYSREVLETT.117.126801
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“Thermal Stability of Gold/Palladium Octopods Studied in Situ in 3D: Understanding Design Rules for Thermally Stable Metal Nanoparticles”. Albrecht W, Bladt E, Vanrompay H, Smith JD, Skrabalak SE, Bals S, ACS nano 13, 6522 (2019). http://doi.org/10.1021/acsnano.9b00108
Abstract: Multifunctional metal nanoparticles (NPs) such as anisotropic multimetallic NPs are crucial for boosting nanomaterial based applications. Advanced synthetic protocols exist to make a large variety of such nanostructures. However, a major limiting factor for the usability of them in real life applications is their stability. Here, we show that Au/Pd octopods, 8-branched nanocrystals with Oh symmetry, with only a low amount of Pd exhibited a high thermal stability and maintained strong plasmon resonances up to 600 ◦C. Furthermore, we study the influence of the composition, morphology and environment on the thermal stability and define key parameters for the design of thermally stable multifunctional NPs.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 13.942
Times cited: 46
DOI: 10.1021/acsnano.9b00108
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“Air quality monitoring in a museum for preventive conservation : results of a three-year study in the Plantin-Moretus Museum in Antwerp, Belgium”. Krupińska B, Van Grieken R, De Wael K, Microchemical journal 110, 350 (2013). http://doi.org/10.1016/J.MICROC.2013.05.006
Abstract: Through different research projects on air quality in museums, researcher and conservators try identifying various risks of air pollution on materials. The conclusions may be later translated into specific actions for a maximum preservation of the museum collections, a process known as preventive conservation. Air pollution is a particular problem in historical buildings such as museums, because they were not originally built to exhibit and protect art objects in a sustainable way. This article reports on the data and results that were obtained during 10 sampling campaigns, in the period between November 2008 and February 2012 in a museum in Antwerp (Belgium), i.e. Plantin-Moretus Museum/Print Room. Different pollutants were measured inside and outside the museum such as inorganic gases, particulate matter and black carbon. The report specifically addresses environmental factors that may be responsible for damage to the collections present in museums. Thanks to the knowledge about the current situation in the museum, accurate solutions regarding preventive conservation, in general, are suggested.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 3.034
Times cited: 46
DOI: 10.1016/J.MICROC.2013.05.006
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“The use of synchrotron radiation for the characterization of artists' pigments and paintings”. Janssens K, Alfeld M, van der Snickt G, de Nolf W, Vanmeert F, Radepont M, Monico L, et al, Annual review of analytical chemistry 6, 399 (2013). http://doi.org/10.1146/ANNUREV-ANCHEM-062012-092702
Abstract: We review methods and recent studies in which macroscopic to (sub)microscopic X-ray beams were used for nondestructive analysis and characterization of pigments, paint microsamples, and/or entire paintings. We discuss the use of portable laboratory- and synchrotron-based instrumentation and describe several variants of X-ray fluorescence (XRF) analysis used for elemental analysis and imaging and combined with X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Macroscopic and microscopic (μ-)XRF variants of this method are suitable for visualizing the elemental distribution of key elements in paint multilayers. Technical innovations such as multielement, large-area XRF detectors have enabled such developments. The use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that take place during natural pigment alteration processes. However, synchrotron-based combinations of μ-XRF, μ-XAS, and μ-XRD are suitable for such studies.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 7.435
Times cited: 46
DOI: 10.1146/ANNUREV-ANCHEM-062012-092702
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“Elucidating the photocatalytic degradation pathway of acetaldehyde : an FTIR in situ study under atmospheric conditions”. Hauchecorne B, Terrens D, Verbruggen S, Martens JA, van Langenhove H, Demeestere K, Lenaerts S, Applied catalysis : B : environmental 106, 630 (2011). http://doi.org/10.1016/J.APCATB.2011.06.026
Abstract: In this paper, new insights of the photocatalytic oxidation pathway of acetaldehyde are obtained by means of an in-house constructed FTIR in situ reactor. It is shown that there are generally three different intermediates present: acetic acid, formic acid and formaldehyde. By means of FTIR in situ spectroscopy, this study revealed that these intermediates are bound on the TiO2 surface in different ways, resulting in the presence of more intermediate species, such as molecularly adsorbed acetic acid, bidentate acetate, molecularly adsorbed formic acid, monodentate formate, bidentate formate, formaldehyde and dioxymethylene. Furthermore, spectroscopic evidence is obtained concerning the formation of 3-hydroxybutanal and crotonaldehyde upon adsorption of acetaldehyde on TiO2 prior to UV illumination. The presented results thus give new insights in the photocatalytic oxidation pathway of acetaldehyde.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 9.446
Times cited: 46
DOI: 10.1016/J.APCATB.2011.06.026
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“Pr/ZrO2 prepared by atomic trapping : an efficient catalyst for the conversion of glycerol to lactic acid with concomitant transfer hydrogenation of cyclohexene”. Tang Z, Liu P, Cao H, Bals S, Heeres HJ, Pescarmona PP, ACS catalysis 9, 9953 (2019). http://doi.org/10.1021/ACSCATAL.9B02139
Abstract: A series of heterogeneous catalysts consisting of highly dispersed Pt nanoparticles supported on nanosized ZrO2 (20 to 60 nm) was synthesized and investigated for the one-pot transfer hydrogenation between glycerol and cyclohexene to produce lactic acid and cyclohexane, without any additional H-2. Different preparation methods were screened, by varying the calcination and reduction procedures with the purpose of optimizing the dispersion of Pt species (i.e., as single-atom sites or extra-fine Pt nanoparticles) on the ZrO2 support. The Pt/ZrO2 catalysts were characterized by means of transmission electron microscopy techniques (HAADF-STEM, TEM), elemental analysis (ICP-OES, EDX mapping), N-2-physisorption, H-2 temperature-programmed-reduction (H-2-TPR), X-ray photoelectron spectroscopy (XPS), and X-ray diffraction (XRD). Based on this combination of techniques it was possible to correlate the temperature of the calcination and reduction treatments with the nature of the Pt species. The best catalyst consisted of subnanometer Pt clusters (<1 nm) and atomically dispersed Pt (as Pt2+ and Pt4+) on the ZrO2 support, which were converted into extra-fine Pt nanoparticles (average size = 1.4 nm) upon reduction. These nanoparticles acted as catalytic species for the transfer hydrogenation of glycerol with cyclohexene, which gave an unsurpassed 95% yield of lactic acid salt at 96% glycerol conversion (aqueous glycerol solution, NaOH as promoter, 160 degrees C, 4.5 h, at 20 bar N-2). This is the highest yield and selectivity of lactic acid (salt) reported in the literature so far. Reusability experiments showed a partial and gradual loss of activity of the Pt/ZrO2 catalyst, which was attributed to the experimentally observed aggregation of Pt nanoparticles.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 10.614
Times cited: 46
DOI: 10.1021/ACSCATAL.9B02139
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“Atomic-scale simulations of reactive oxygen plasma species interacting with bacterial cell walls”. Yusupov M, Neyts EC, Khalilov U, Snoeckx R, van Duin ACT, Bogaerts A, New journal of physics 14, 093043 (2012). http://doi.org/10.1088/1367-2630/14/9/093043
Abstract: In recent years there has been growing interest in the use of low-temperature atmospheric pressure plasmas for biomedical applications. Currently, however, there is very little fundamental knowledge regarding the relevant interaction mechanisms of plasma species with living cells. In this paper, we investigate the interaction of important plasma species, such as O3, O2 and O atoms, with bacterial peptidoglycan (or murein) by means of reactive molecular dynamics simulations. Specifically, we use the peptidoglycan structure to model the gram-positive bacterium Staphylococcus aureus murein. Peptidoglycan is the outer protective barrier in bacteria and can therefore interact directly with plasma species. Our results demonstrate that among the species mentioned above, O3 molecules and especially O atoms can break important bonds of the peptidoglycan structure (i.e. CO, CN and CC bonds), which subsequently leads to the destruction of the bacterial cell wall. This study is important for gaining a fundamental insight into the chemical damaging mechanisms of the bacterial peptidoglycan structure on the atomic scale.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.786
Times cited: 47
DOI: 10.1088/1367-2630/14/9/093043
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“Development of photocatalytic efficient Ti-based nanotubes and nanoribbons by conventional and microwave assisted synthesis strategies”. Ribbens S, Meynen V, Van Tendeloo G, Ke X, Mertens M, Maes BUW, Cool P, Vansant EF, Microporous and mesoporous materials: zeolites, clays, carbons and related materials 114, 401 (2008). http://doi.org/10.1016/j.micromeso.2008.01.028
Abstract: Titanate nanotubes were prepared via a hydrothermal treatment of TiO2 powders (Riedel De Haen) in a basic solution. Morphology and structure of the prepared samples were characterized by high resolution transmission electron microscopy (HRTEM), selected area electron diffraction (SAED), XRD, FT-Raman spectroscopy, nitrogen sorption and DSC. The photocatalytic activity was evaluated by photocatalytic oxidation of rhodamine 6G. Trititanate nanotubes (TTNT) with inner pore diameters between 4 and 4.2 nm and surface areas up till 360 m(2)/g could be synthesized. The synthesis route was modified by introduction of a calcination step, by applying a lower hydrothermal temperature and microwave irradiation in order to increase the photocatalytic activity of the porous photoactive nanotubular materials. Calcination and a softer hydrothermal treatment led to the formation of anatase without affecting the surface area and nanotubular shape of the samples. In this way, the photocatalytic activity of the original trititanate nanotubes could be significantly increased. By making use of microwave assisted synthesis, the photocatalytic activity call also be increased due to the presence of anatase. However, by applying microwave synthesis, a different structure was obtained, nanoribbons (NR) instead of nanotubcs, resulting in a decrease in surface area and porosity.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Organic synthesis (ORSY)
Impact Factor: 3.615
Times cited: 47
DOI: 10.1016/j.micromeso.2008.01.028
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“Energy transfer in Eu3+ doped scheelites : use as thermographic phosphor”. Meert KW, Morozov VA, Abakumov AM, Hadermann J, Poelman D, Smet PF, Optics express 22, A961 (2014). http://doi.org/10.1364/OE.22.00A961
Abstract: In this paper the luminescence of the scheelite-based CaGd2(1-x)Eu2x(WO4)4 solid solutions is investigated as a function of the Eu content and temperature. All phosphors show intense red luminescence due to the 5D0 7F2 transition in Eu3+, along with other transitions from the 5D1 and 5D0 excited states. For high Eu3+ concentrations the intensity ratio of the emission originating from the 5D1 and 5D0 levels has a non-conventional temperature dependence, which could be explained by a phonon-assisted cross-relaxation process. It is demonstrated that this intensity ratio can be used as a measure of temperature with high spatial resolution, allowing the use of these scheelites as thermographic phosphor. The main disadvantage of many thermographic phosphors, a decreasing signal for increasing temperature, is absent.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.307
Times cited: 47
DOI: 10.1364/OE.22.00A961
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“New pathways for nanoparticle formation in acetylene dusty plasmas: a modelling investigation and comparison with experiments”. Mao M, Benedikt J, Consoli A, Bogaerts A, Journal of physics: D: applied physics 41 (2008). http://doi.org/10.1088/0022-3727/41/22/225201
Abstract: In this paper, the initial mechanisms of nanoparticle formation and growth in radiofrequency acetylene (C2H2) plasmas are investigated by means of a comprehensive self-consistent one-dimensional (1D) fluid model. This model is an extension of the 1D fluid model, developed earlier by De Bleecker et al. Based on the comparison of our previous results with available experimental data for acetylene plasmas in the literature, some new mechanisms for negative ion formation and growth are proposed. Possible routes are considered for the formation of larger (linear and branched) hydrocarbons C2nH2 (n = 3, 4, 5), which contribute to the generation of C2nH− anions (n = 3, 4, 5) due to dissociative electron attachment. Moreover, the vinylidene anion (H2CC−) and higher anions (n = 24) are found to be important plasma species.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.588
Times cited: 47
DOI: 10.1088/0022-3727/41/22/225201
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“Novel hybrid materials for gas sensing applications made of metal-decorated MWCNTs dispersed on nano-particle metal oxides”. Ionescu R, Espinosa EH, Leghrib R, Felten A, Pireaux J-J, Erni R, Van Tendeloo G, Bittencourt C, Canellas N, Llobet E, Sensors and actuators : B : chemical 131, 174 (2008). http://doi.org/10.1016/j.snb.2007.11.001
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.401
Times cited: 47
DOI: 10.1016/j.snb.2007.11.001
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“The origin of p-type conductivity in ZnM2O4 (M = Co, Rh, Ir) spinels”. Amini MN, Dixit H, Saniz R, Lamoen D, Partoens B, Physical chemistry, chemical physics 16, 2588 (2014). http://doi.org/10.1039/c3cp53926a
Abstract: ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Impact Factor: 4.123
Times cited: 47
DOI: 10.1039/c3cp53926a
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