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“Correlated x-ray fluorescence and ptychographic nano-tomography on Rembrandt's The Night Watch reveals unknown lead “layer””. Broers FTH, Verslype I, Bossers KW, Vanmeert F, Gonzalez V, Garrevoet J, van Loon A, va Duijn E, Krekeler A, De Keyser N, Steeman I, Noble P, Janssens K, Meirer F, Keune K, Science Advances 9, eadj9394 (2023). http://doi.org/10.1126/SCIADV.ADJ9394
Abstract: The Night Watch, one of the most famous masterpieces by Rembrandt, is the subject of a large research and conservation project. For the conservation treatment, it is of great importance to understand its current condition. Correlated nano-tomography using x-ray fluorescence and ptychography revealed a-so far unknown-lead-containing “layer”, which likely acts as a protective impregnation layer applied on the canvas before the quartz-clay ground was applied. This layer might explain the presence of lead soap protrusions in areas where no other lead components are present. In addition to the three-dimensional elemental mapping, ptychography visualizes and quantifies components not detectable by hard x-ray fluorescence such as the organic fraction and quartz. The first-time use of this combination of synchrotron-based techniques on a historic paint micro-sample shows it to be an important tool to better interpret the results of noninvasive imaging techniques operating on the macroscale.
Keywords: A1 Journal article; Engineering sciences. Technology; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Impact Factor: 13.6
DOI: 10.1126/SCIADV.ADJ9394
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“Ge40.0Te5.3I8: synthesis, crystal structure, and properties of a new clathrate-I compound”. Kovnir KA, Abramchuk NS, Zaikina JV, Baitinger M, Burkhardt U, Schnelle W, Olenev AV, Lebedev OI, Van Tendeloo G, Dikarev EV, Shevelkov AV, Zeitschrift für Kristallographie 221, 527 (2006). http://doi.org/10.1524/zkri.2006.221.5-7.527
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.179
Times cited: 16
DOI: 10.1524/zkri.2006.221.5-7.527
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“Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C2N and CN2 molecules”. Martin JML, Taylor PR, François JP, Gijbels R, Chemical physics letters 226, 475 (1994). http://doi.org/10.1016/0009-2614(94)00758-6
Abstract: Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 46
DOI: 10.1016/0009-2614(94)00758-6
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“Ab initio study of the X2\Sigma+ and A 2\Pi states of the SiN radical”. Cai ZL, Martin JML, François JP, Gijbels R, Chemical physics letters 252, 398 (1996). http://doi.org/10.1016/0009-2614(96)00183-2
Abstract: The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.897
Times cited: 28
DOI: 10.1016/0009-2614(96)00183-2
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“Bulk production of multi-wall carbon nanotube bundles on sol-gel prepared catalyst”. Ning Y, Zhang X, Wang Y, Sun Y, Shen L, Yang X, Van Tendeloo G, Chemical physics letters 366, 555 (2002). http://doi.org/10.1016/S0009-2614(02)01647-0
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.815
Times cited: 41
DOI: 10.1016/S0009-2614(02)01647-0
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“Reduced dimensionality in different forms of carbon”. Van Tendeloo G, Bernaerts D, Amelinckx S, Carbon 36, 487 (1998). http://doi.org/10.1016/S0008-6223(98)00050-5
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.337
Times cited: 4
DOI: 10.1016/S0008-6223(98)00050-5
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“A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO5”. Groat LA, Kek S, Bismayer U, Schmidt C, Krane HG, Meyer H, Nistor L, Van Tendeloo G, The American mineralogist 81, 595 (1996)
Abstract: Synchrotron radiation, high-resolution transmission electron microscopy (HRTEM), X-ray powder diffraction, and Raman spectroscopy were used to study the structure and thermal behavior of malayaite, CaSnSiO5. No indications of deviation from A2/a symmetry and no structural transitions were observed between 100 and 870 K. HRTEM revealed that the material is free of domains and antiphase boundaries. However, the lattice constants, cell volume, and Raman-active phonons show a thermal discontinuity near 500 K, which is possibly related to variation of the coordination sphere around the highly anisotropic Ca position.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.964
Times cited: 19
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“Thickness-dependent transport properties of Sr4Fe6O13 epitaxial thin films”. Pardo JA, Santiso J, Solis C, Garcia G, Figueras A, Rossell MD, Solid state ionics 177, 423 (2006). http://doi.org/10.1016/J.SSI.2005.11.024
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.354
DOI: 10.1016/J.SSI.2005.11.024
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“Variation of K X-ray fluorescence cross-sections of Cu, Y and Ba in YBa2Cu3O7-\delta superconductor”. Baltas H, Čevik U, Solid state communications 149, 231 (2009). http://doi.org/10.1016/J.SSC.2008.11.010
Abstract: K X-ray fluorescence cross-sections of Cu, Y and Ba elements were measured in CuO, Y(2)O(3), BaCO(3) Compounds and YBa(2)Cu(3)O(7-delta) superconductor samples (nonreacted agent, calcined and sintered states). A superconductor sample of YBa(2)Cu(3)O(7-delta) was prepared by using a solid-state reaction technique. The samples were excited by gamma rays of energy 59.5 keV from a (241)Am radioisotope source. The Cu, Y and Ba K X-ray intensities counted with a Si(Li) detector were measured in different solid-state conditions. The obtained values of K X-ray fluorescence cross-section were compared with the theoretical values of pure Cu, Y and Ba elements. We found that the K X-ray fluorescence cross-section of Cu, Y and Ba in YBa(2)Cu(3)O(7-delta) sample is changed in different solid-state conditions, depending on the mixture (nonreacted agent), calcined and sintered states. (c) 2008 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/J.SSC.2008.11.010
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“A-site ordering and stripe phases in manganite films”. Sudheendra L, Moshnyaga V, Lebedev OI, Gehrke K, Belenciuc A, Shapoval O, Van Tendeloo G, Samwer K, Physica: B : condensed matter
T2 –, International Conference on Strongly Correlated Electron Systems (SCES, 2007), MAY 13-18, 2007, Houston, TX 403, 1645 (2008). http://doi.org/10.1016/j.physb.2007.10.332
Abstract: Insulating and metallic stripes above and below the Curie temperature, T-C, respectively, were observed by a high-resolution scanning tunneling microscopy (STM) and/or spectroscopy (STS) in A-site ordered and macroscopically strain free epitaxial La0.75Ca0.25MnO3 film grown on MgO substrate. The “insulating” stripes were found to be incommensurable to the lattice and aligned along (110) direction. Metallic stripes were commensurable with periodicity 2a(p)similar to 0.8 nm and aligned parallel to the crystallographic a/b-axis. Formation of these stripes involves competing charge, orbital, and lattice orders and is an outcome of an overlapping of electron wave functions mediated by the local lattice-strain distribution, existed even in A-site ordered film due to the difference in cation radii of La and Ca. (C) 2007 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.386
DOI: 10.1016/j.physb.2007.10.332
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“Defects in high-dose oxygen implanted silicon : a TEM study”. Deveirman A, van Landuyt J, Vanhellemont J, Maes HE, Yallup K, Vacuum: the international journal and abstracting service for vacuum science and technology
T2 –, 1ST SIOMX WORKSHOP ( SEPARATION BY IMPLANTATION OF OXYGEN ) ( SWI-88 ), NOV 07-08, 1988, UNIV SURREY, GUILDFORD, ENGLAND 42, 367 (1991). http://doi.org/10.1016/0042-207X(91)90055-N
Abstract: Results are discussed of a transmission electron microscopy study of high-dose oxygen implanted silicon. In addition to the general high temperature (> 1200-degrees-C) annealing treatments also annealings at 'low' temperatures (1000-1100-degrees-C) were performed in order to slow down the precipitate and defect reactions. The observed dissolution of the oxide precipitates during prolonged high temperature annealing is explained by critical radius considerations. Threading dislocations are the remaining lattice defects in the silicon overlayer and cannot be removed by further annealing. Low temperature annealing results in the formation and subsequent unfaulting of extrinsic stacking fault loops below the buried oxide layer.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.858
Times cited: 4
DOI: 10.1016/0042-207X(91)90055-N
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“Effects of confining interaction in meso-superconductors”. Shanenko AA, Ivanov VA, Physics letters : A 322, 384 (2004). http://doi.org/10.1016/j.physleta.2004.01.042
Abstract: This Letter presents a generalized Ginzburg-Landau equation for the superconducting order parameter which includes the terms resulting from the confining interaction associated with the specimen boundary. While the original Ginzburg-Landau theory had been developed for a bulk superconductor, this generalization is meant for study of a meso-superconductor. (C) 2004 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.772
Times cited: 1
DOI: 10.1016/j.physleta.2004.01.042
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“Fullerene-cubane : X-ray scattering experiments and Monte Carlo simulations”. Verberck B, Heresanu V, Rouziere S, Cambedouzou J, Launois P, Kovats E, Pekker S, Vliegenthart GA, Michel KH, Gompper G, Fullerenes, nanotubes, and carbon nanostructures
T2 –, 8th Biennial International Workshop on Fullerenes and Atomic Clusters, (IWFAC 2007), JUL 02-06, 2007, St Petersburg, RUSSIA 16, 293 (2008). http://doi.org/10.1080/15363830802205830
Abstract: We report single-crystal X-ray diffuse scattering measurements on C-60.C8H8 fullerene-cubane showing that the C-60 molecules are orientationally disordered at 300 and 150K and get ordered at low temperatures. Monte Carlo simulations provide further insight in the orientational behavior of both C-60 and C8H8 molecules; low-temperature molecular orientations are predicted.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 1.35
Times cited: 6
DOI: 10.1080/15363830802205830
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“Molecular ion distributions in laser microprobe mass-spectrometry of calcium-oxide and calcium salts”. Bruynseels FJ, Van Grieken RE, Spectrochimica acta: part B : atomic spectroscopy 38, 853 (1983). http://doi.org/10.1016/0584-8547(83)80184-0
Abstract: Laser Microprobe Mass Spectrometry (LAMMA) is used to examine micrometric particles of calcium oxyanion salts (CaCO3, CaSO4, CaSO4·2H2O) and calcium oxide, in both the positive and negative ion mode. The major molecular ions, appearing in the positive mass spectrum, can be divided into three series, namely CamOm-1+, (CaO)m+ and (CaO)mH+ (m = 1-4). In the case of the former two series the relative intensities of the mass peaks as a function of the fragment valence K = (1 + 2n)/m, for CamOn+, can be fitted to a Gaussian distribution curve, as was earlier demonstrated for secondary ion mass spectrometry. The high stability of the (CaO)mH+ series can be explained by the favourable fragment valence of +2 corresponding to the usual oxidation state of calcium.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0584-8547(83)80184-0
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“Acoustic vibration modes and electron-lattice coupling in self-assembled silver nanocolumns”. Burgin J, Langot P, Arbouet A, Margueritat J, Gonzalo J, Afonso CN, Vallee F, Mlayah A, Rossell MD, Van Tendeloo G, Nano letters 8, 1296 (2008). http://doi.org/10.1021/nl073123r
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 12.712
Times cited: 30
DOI: 10.1021/nl073123r
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“Anharmonic effects on thermodynamic properties of a graphene monolayer”. da Silva ALC, Candido L, Teixeira Rabelo JN, Hai G-Q, Peeters FM, Europhysics letters 107, 56004 (2014). http://doi.org/10.1209/0295-5075/107/56004
Abstract: We extend the unsymmetrized self-consistent-field method (USF) for anharmonic crystals to layered non-Bravais crystals to investigate structural, dynamical and thermodynamic properties of a free-standing graphene monolayer. In this theory, the main anharmonicity of the crystal lattice has been included and the quantum corrections are taken into account in an h-expansion for the one-particle density matrix. The obtained result for the thermal expansion coefficient (TEC) of graphene shows a strong temperature dependence and agrees with experimental results by Bao et al. (Nat. Nanotechnol., 4 (2009) 562). The obtained value of TEC at room temperature (300 K) is -6.4 x 10(- 6) K- 1 and it becomes positive for T > T-alpha = 358K. We find that quantum effects are significant for T < 1000 K. The interatomic distance, effective amplitudes of the graphene lattice vibrations, adiabatic and isothermal bulk moduli, isobaric and isochoric heat capacities are also calculated and their temperature dependences are determined. Copyright (C) EPLA, 2014
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 23
DOI: 10.1209/0295-5075/107/56004
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“Au@UiO-66 : a base free oxidation catalyst”. Leus K, Concepcion P, Vandichel M, Meledina M, Grirrane A, Esquivel D, Turner S, Poelman D, Waroquier M, Van Speybroeck V, Van Tendeloo G, García H, Van Der Voort P;, RSC advances 5, 22334 (2015). http://doi.org/10.1039/c4ra16800c
Abstract: We present the in situ synthesis of Au nanoparticles within the Zr based Metal Organic Framework, UiO-66. The resulting Au@UiO-66 materials were characterized by means of N-2 sorption, XRPD, UV-Vis, XRF, XPS and TEM analysis. The Au nanoparticles (NP) are homogeneously distributed along the UiO-66 host matrix when using NaBH4 or H-2 as reducing agents. The Au@UiO-66 materials were evaluated as catalysts in the oxidation of benzyl alcohol and benzyl amine employing O-2 as oxidant. The Au@MOF materials exhibit a very high selectivity towards the ketone (up to 100%). Regenerability and stability tests demonstrate that the Au@UiO-66 catalyst can be recycled with a negligible loss of Au species and no loss of crystallinity. In situ IR measurements of UiO-66 and Au@UiO-66-NaBH4, before and after treatment with alcohol, showed an increase in IR bands that can be assigned to a combination of physisorbed and chemisorbed alcohol species. This was confirmed by velocity power spectra obtained from the molecular dynamics simulations. Active peroxo and oxo species on Au could be visualized with Raman analysis.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.108
Times cited: 38
DOI: 10.1039/c4ra16800c
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“Ballistic current in metal-oxide-semiconductor field-effect transistors: the role of device topology”. Pourghaderi MA, Magnus W, Sorée B, Meuris M, de Meyer K, Heyns M, Journal of applied physics 106, 053702 (2009). http://doi.org/10.1063/1.3197635
Abstract: In this study we investigate the effect of device topology on the ballistic current in n-channel metal-oxide-semiconductor field-effect transistors. Comparison of the nanoscale planar and double-gate devices reveals that, down to a certain thickness of the double gate film, the ballistic current flowing in the double gate device is twice as large compared to its planar counterpart. On the other hand, further thinning of the film beyond this threshold is found to change noticeably the confinement and transport characteristics, which are strongly depending on the film material and the surface orientation. For double gate Ge and Si devices there exists a critical film thickness below which the transverse gate field is no longer effectively screened by the inversion layer electron gas and mutual inversion of the two gates is turned on. In the case of GaAs and other similar IIIV compounds, a decrease in the film thickness may drastically change the occupation of the L-valleys and therefore amend the transport properties. The simulation results show that, in both cases, the ballistic current and the transconductance are considerably enhanced.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 3
DOI: 10.1063/1.3197635
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“Band-gap tuning of graphene by Be doping and Be, B co-doping : a DFT study”. Ullah S, Hussain A, Syed WA, Saqlain MA, Ahmad I, Leenaerts O, Karim A, RSC advances 5, 55762 (2015). http://doi.org/10.1039/c5ra08061d
Abstract: First-principles density functional theory (DFT) calculations were carried out to investigate the structural and electronic properties of beryllium (Be) doped and Be and boron (B) co-doped graphene systems. We observed that not only the concentration of impurity atoms is important to tune the band-gap to some desired level, but also the specific substitution sites play a key role. In our system, which consists of 32 atoms, a maximum of 4Be and, in the co-doped state, 2Be and 3B atom substitutions are investigated. Both dopants are electron deficient relative to C atoms and cause the Fermi level to shift downward (p-type doping). A maximum band gap of 1.44 eV can be achieved on incorporation of 4Be atoms. The introduction of Be is more sensitive in terms of geometry and stability than B. However, in opening the energy gap, Be is more effective than B and N (nitrogen). Our results offer the possibility to modify the band-gap of graphene sufficiently for utilization in diverse electronic device applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.108
Times cited: 33
DOI: 10.1039/c5ra08061d
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“Carbon-dot-decorated nanodiamonds”. Shenderova O, Hens S, Vlasov I, Turner S, Lu Y-G, Van Tendeloo G, Schrand A, Burikov SA, Dolenko TA, Particle and particle systems characterization 31, 580 (2014). http://doi.org/10.1002/ppsc.201300251
Abstract: The synthesis of a new class of fluorescent carbon nanomaterials, carbon-dot-decorated nanodiamonds (CDD-ND), is reported. These CDD-NDs are produced by specific acid treatment of detonation soot, forming tiny rounded sp2 carbon species (carbon dots), 12 atomic layers thick and 12 nm in size, covalently attached to the surface of the detonation diamond nanoparticles. A combination of nanodiamonds bonded with a graphitic phase as a starting material and the application of graphite intercalated acids for oxidation of the graphitic carbon is necessary for the successful production of CDD-ND. The CDD-ND photoluminescence (PL) is stable, 20 times more intense than the intrinsic PL of well-purified NDs and can be tailored by changing the oxidation process parameters. Carbon-dot-decorated DNDs are shown to be excellent probes for bioimaging applications and inexpensive additives for PL nanocomposites.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.474
Times cited: 30
DOI: 10.1002/ppsc.201300251
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“CoFe nanodumbbells : synthesis, structure, and magnetic properties”. Liakakos N, Gatel C, Blon T, Altantzis T, Lentijo-Mozo S, Garcia-Marcelot C, Lacroix LM, Respaud M, Bals S, Van Tendeloo G, Soulantica K, Nano letters 14, 2747 (2014). http://doi.org/10.1021/nl500734k
Abstract: We report the solution phase synthesis, the structural analysis, and the magnetic properties of hybrid nanostructures combining two magnetic metals. These nano-objects are characterized by a remarkable shape, combining Fe nanocubes on Co nanorods. The topological composition, the orientation relationship, and the growth steps have been studied by advanced electron microscopy techniques, such as HRTEM, electron tomography, and state-of-the-art 3-dimensional elemental mapping by EDX tomography. The soft iron nanocubes behave as easy nucleation centers that induce the magnetization reversal of the entire nanohybrid, leading to a drastic modification of the overall effective magnetic anisotropy.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.712
Times cited: 27
DOI: 10.1021/nl500734k
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“A comparative study for the inactivation of multidrug resistance bacteria using dielectric barrier discharge and nano-second pulsed plasma”. Hoon Park J, Kumar N, Hoon Park D, Yusupov M, Neyts EC, Verlackt CCW, Bogaerts A, Ho Kang M, Sup Uhm H, Ha Choi E, Attri P;, Scientific reports 5, 13849 (2015). http://doi.org/10.1038/srep13849
Abstract: Bacteria can be inactivated through various physical and chemical means, and these have always been the focus of extensive research. To further improve the methodology for these ends, two types of plasma systems were investigated: nano-second pulsed plasma (NPP) as liquid discharge plasma and an Argon gas-feeding dielectric barrier discharge (Ar-DBD) as a form of surface plasma. To understand the sterilizing action of these two different plasma sources, we performed experiments with Staphylococcus aureus (S. aureus) bacteria (wild type) and multidrug resistant bacteria (Penicillum-resistant, Methicillin-resistant and Gentamicin-resistant). We observed that both plasma sources can inactivate both the wild type and multidrug-resistant bacteria to a good extent. Moreover, we observed a change in the surface morphology, gene expression and β-lactamase activity. Furthermore, we used X-ray photoelectron spectroscopy to investigate the variation in functional groups (C-H/C-C, C-OH and C=O) of the peptidoglycan (PG) resulting from exposure to plasma species. To obtain atomic scale insight in the plasma-cell interactions and support our experimental observations, we have performed molecular dynamics simulations to study the effects of plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, on the dissociation/formation of above mentioned functional groups in PG.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.259
Times cited: 32
DOI: 10.1038/srep13849
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“Comparative study of organic dyes with time-of-flight static secondary ion mass spectrometry and related techniques”. Adriaensen L, Vangaever F, Lenaerts J, Gijbels R, Journal of mass spectrometry 40, 615 (2005). http://doi.org/10.1002/jms.832
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.422
Times cited: 4
DOI: 10.1002/jms.832
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“Comparison of argon and neon as discharge gases in a direct current glow discharge: a mathematical simulation”. Bogaerts A, Gijbels R, Spectrochimica acta: part B : atomic spectroscopy 52, 553 (1997)
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.241
Times cited: 13
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“Computer modeling of plasmas and plasma-surface interactions”. Bogaerts A, Bultinck E, Eckert M, Georgieva V, Mao M, Neyts E, Schwaederlé, L, Plasma processes and polymers 6, 295 (2009). http://doi.org/10.1002/ppap.200800207
Abstract: In this paper, an overview is given of different modeling approaches used for describing gas discharge plasmas, as well as plasma-surface interactions. A fluid model is illustrated for describing the detailed plasma chemistry in capacitively coupled rf discharges. The strengths and limitations of Monte Carlo simulations and of a particle-in-cell-Monte Carlo collisions model are explained for a magnetron discharge, whereas the capabilities of a hybrid Monte Carlo-fluid approach are illustrated for a direct current glow discharge used for spectrochemical analysis of materials. Finally, some examples of molecular dynamics simulations, for the purpose of plasma-deposition, are given.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.846
Times cited: 18
DOI: 10.1002/ppap.200800207
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“Conceptual frame rationalizing the self-stabilization of H-USY zeolites in hot liquid water”. Ennaert T, Geboers J, Gobechiya E, Courtin CM, Kurttepeli M, Houthoofd K, Kirschhock CEA, Magusin PCMM, Bals S, Jacobs PA, Sels BF, ACS catalysis 5, 754 (2015). http://doi.org/10.1021/cs501559s
Abstract: The wide range of liquid-phase reactions required for the catalytic conversion of biomass compounds into new bioplatform molecules defines a new set of challenges for the development of active, selective, and stable catalysts. The potential of bifunctional Ru/H-USY catalysts for conversions in hot liquid water (HLW) is assessed in terms of physicochemical stability and long-term catalytic performance of acid sites and noble metal functionality, as probed by hydrolytic hydrogenation of cellulose. It is shown that zeolite desilication is the main zeolite degradation mechanism in HLW. USY zeolite stability depends on two main parameters, viz., framework and extra-framework aluminum content. The former protects the zeolite lattice by counteracting hydrolysis of framework bonds, and the latter, when located at the external crystal surface, prevents solubilization of the zeolite framework which is the result of its low water-solubility. Hence, the hot liquid water stability of commercial H-USY zeolites, in contrast to their steam stability, increased with decreasing Si/AI ratio. As a result, mildly steamed USY zeolites containing a high amount of both Al species exhibit the highest resistance to HLW. During an initial period of transformations, Al-rich zeolites form additional protective extra-framework Al species at the outer surface, self-stabilizing the framework. A critical bulk Si/AI ratio of 3 was determined whereby USY zeolites with a lower Si/AI ratio will self-stabilize over time. Besides, due to the initial transformation period, the accessibility of the catalytic active sites is extensively enhanced resulting in a material that is more stable and drastically more accessible to large substrates than the original zeolite. When these findings are applied in the hydrolytic hydrogenation of cellulose, unprecedented nearly quantitative hexitol yields were obtained with a stable catalytic system.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 10.614
Times cited: 65
DOI: 10.1021/cs501559s
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“Confined magnetic guiding orbit states”. Reijniers J, Matulis A, Chang K, Peeters FM, Vasilopoulos P, Europhysics letters 59, 749 (2002). http://doi.org/10.1209/epl/i2002-00189-8
Abstract: We show how snake-orbit states which run along a magnetic edge can be confined electrically. We consider a two-dimensional electron gas (2DEG) confined into a quantum wire, subjected to a strong perpendicular and steplike magnetic field B/ − B. Close to this magnetic step, new, spatially confined bound states arise as a result of the lateral confinement and the magnetic-field step. The number of states, with energy below the first Landau level, increases as B becomes stronger or as the wire width becomes larger. These bound states can be understood as an interference between two counter-propagating one-dimensional snake-orbit states.
Keywords: A1 Journal article; Engineering Management (ENM); Condensed Matter Theory (CMT)
Impact Factor: 1.957
Times cited: 26
DOI: 10.1209/epl/i2002-00189-8
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“Crystal structure and properties of the new complex vanadium oxide K2SrV3O9”. Tsirlin AA, Chernaya VV, Shpanchenko RV, Antipov EV, Hadermann J, Materials research bulletin 40, 800 (2005). http://doi.org/10.1016/j.materresbull.2005.02.004
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.446
Times cited: 9
DOI: 10.1016/j.materresbull.2005.02.004
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“Crystal structures of superconducting sodium intercalates of hafnium nitride chloride”. Oró-Solé, J, Frontera C, Beltrán-Porter D, Lebedev OI, Van Tendeloo G, Fuertes A, Materials research bulletin 41, 934 (2006). http://doi.org/10.1016/j.materresbull.2006.03.018
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.446
Times cited: 8
DOI: 10.1016/j.materresbull.2006.03.018
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“CVD of copper oxides from a \beta-diketonate diamine precursor: tailoring the nano-organization”. Barreca D, Gasparotto A, Maccato C, Tondello E, Lebedev OI, Van Tendeloo G, Crystal growth &, design 9, 2470 (2009). http://doi.org/10.1021/cg801378x
Abstract: A copper(II) hexafluoroacetylacetonate (1,1,1,5,5,5-hexafluoro-2,4-pentanedionate, hfa) adduct with N,N,N¡ä,N¡ä-tetramethylethylenediamine (TMEDA) [Cu(hfa)2¡¤TMEDA] is used for the first time as precursor for the chemical vapor deposition (CVD) of copper oxide nanosystems. The syntheses are carried out under both O2 and O2+H2O reaction atmospheres on Si(100) substrates, at temperatures ranging between 250 and 550 ¡ãC. Subsequently, the interrelations between the preparative conditions and the system composition, nanostructure, and morphology are elucidated by means of complementary analytical techniques [Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron and X-ray excited auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM)]. The obtained data revealed a gradual transformation from Cu2O, to Cu2O + CuO, to CuO nanosystems upon increasing the deposition temperature from 250 to 550 ¡ãC under both growth atmospheres. Such a phenomenon was accompanied by a progressive morphological evolution from continuous films to 1D hyperbranched nanostructures. Water vapor introduction in the deposition environment enabled to lower the deposition temperature and resulted in a higher aggregate interconnection, attributed to a higher density of nucleation centers.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 60
DOI: 10.1021/cg801378x
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