“Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation”. Yusupov M, Bogaerts A, Huygh S, Snoeckx R, van Duin ACT, Neyts EC, The journal of physical chemistry: C : nanomaterials and interfaces 117, 5993 (2013). http://doi.org/10.1021/jp3128516
Abstract: Nonthermal atmospheric pressure plasmas are gaining increasing attention for biomedical applications. However, very little fundamental information on the interaction mechanisms between the plasma species and biological cells is currently available. We investigate the interaction of important plasma species, such as OH, H2O2, O, O3, as well as O2 and H2O, with bacterial peptidoglycan by means of reactive molecular dynamics simulations, aiming for a better understanding of plasma disinfection. Our results show that OH, O, O3, and H2O2 can break structurally important bonds of peptidoglycan (i.e., CO, CN, or CC bonds), which consequently leads to the destruction of the bacterial cell wall. The mechanisms behind these breakups are, however, dependent on the impinging plasma species, and this also determines the effectiveness of the cell wall destruction.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 59
DOI: 10.1021/jp3128516
|
“Plasma species interacting with nickel surfaces : toward an atomic scale understanding of plasma-catalysis”. Somers W, Bogaerts A, van Duin ACT, Neyts EC, The journal of physical chemistry: C : nanomaterials and interfaces 116, 20958 (2012). http://doi.org/10.1021/jp307380w
Abstract: The adsorption probability and reaction behavior of CHx plasma species on various nickel catalyst surfaces is investigated by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. Such catalysts are used in the reforming of hydrocarbons and in the growth of carbon nanotubes, and further insight in the underlying mechanisms of these processes is needed to increase their applicability. Single and consecutive impacts of CHx radicals (x={1,2,3}) were performed on four different Ni surfaces, at a temperature of 400 K. The adsorption probability is shown to be related to the number of free electrons, i.e. a higher number leads to more adsorptions, and the steric hindrance caused by the hydrogen atoms bonded to the impacting CHx species. Furthermore, some of the CH bonds break after adsorption, which generally leads to diffusion of the hydrogen atom over the surface. Additionally, these adsorbed H-atoms can be used in reactions to form new molecules, such as CH4 and C2Hx, although this is dependent on the precise morphology of the surface. New molecules are also formed by subtraction of H-atoms from adsorbed radicals, leading to occasional formation of H2 and C2Hx molecules.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.536
Times cited: 37
DOI: 10.1021/jp307380w
|
“Point defect reactions in silicon studied in situ by high flux electron irradiation in high voltage transmission electron microscope”. Vanhellemont J, Romano Rodriguez A, Fedina L, van Landuyt J, Aseev A, Materials science and technology 11, 1194 (1995). http://doi.org/10.1179/mst.1995.11.11.1194
Abstract: Results are presented of in situ studies of 1 MeV electron irradiation induced (113) defect generation in silicon containing different types and concentrations of extrinsic point defects. A semiquantitative model is developed describing the influence of interfaces and stress fields and of extrinsic point defects on the (113) defect generation in silicon during irradiation. The theoretical results obtained are correlated with experimental data obtained on silicon uniformly doped with boron and phosphorus and with observations obtained by irradiating cross-sectional samples of wafers with highly doped surface layers. It is shown that in situ irradiation in a high voltage election microscope is a powerful tool for studying local point defect reactions in silicon. (C) 1995 The Institute of Materials.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 0.995
Times cited: 7
DOI: 10.1179/mst.1995.11.11.1194
|
“Point defect reactions in silicon studies in situ by high flux electron irradiation in high voltage transmission electron microscope”. Vanhellemont J, Romano-Rodriguez A, Fedina L, van Landuyt J, Aseev A, Materials science and technology 11, 1194 (1995)
Keywords: A3 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 7
|
“Polaron-cyclotron-resonance spectrum resulting from interface- and slab-phonon modes in a GaAs/AlAs quantum well”. Hai GQ, Peeters FM, Devreese JT, Physical review : B : condensed matter and materials physics 47, 10358 (1993). http://doi.org/10.1103/PhysRevB.47.10358
Abstract: The effects of interface optical-phonon and confined slab LO-phonon modes on the polaron cyclotron-resonance frequency are investigated for a GaAs/AlAs quantum well. Using degenerate second-order perturbation theory, the polaron Landau levels are calculated and the polaron resonant region is investigated. In order to know the relative importance of the different resonant frequencies we present a full calculation of the magneto-optical absorption spectrum. At a fixed magnetic field we found four different peaks in the absorption spectrum. The relative oscillator strength of the different peaks changes with increasing magnetic field. For comparative purposes, the polaron Landau levels and cyclotron mass are also calculated using only the bulk LO-phonon modes. The influence of the finiteness of the confinement potential is investigated. We found that the interface-phonon modes influence the magnetopolaron resonance considerably near the optical-phonon frequencies for narrow wells. In the limit of zero magnetic field we recover our previous results and in the case of an infinite-barrier quantum well we are able to recover the results for a two- and three-dimensional system.
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.736
Times cited: 69
DOI: 10.1103/PhysRevB.47.10358
|
“Polaron effect on D- centers in weakly polar semiconductors”. Shi JM, Peeters FM, Farias GA, Freire JAK, Hai GQ, Devreese JT, Bednarek S, Adamowski J, Physical review : B : condensed matter and materials physics 57, 3900 (1998). http://doi.org/10.1103/PhysRevB.57.3900
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.836
Times cited: 28
DOI: 10.1103/PhysRevB.57.3900
|
“Polaron effects in electron channels on a helium film”. Farias GA, Costa Filho RN, Peeters FM, Studart N, Physical review : B : condensed matter and materials physics 64, 104301 (2001). http://doi.org/10.1103/PhysRevB.64.104301
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 2
DOI: 10.1103/PhysRevB.64.104301
|
“Polaron impurity states on a liquid helium film”. Farias GA, Peeters FM, Physical review : B : condensed matter and materials physics 55, 3763 (1997)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
|
“Positional and orientational disorder in a solid solution of Sr9-xNi1.5-x(PO4)7 (x=0.3)”. Belik A, Izumi F, Ikeda T, Morozov VA, Dilanian R, Torii S, Kopnin E, Lebedev OI, Van Tendeloo G, Lazoryak BI, Chemistry and materials 14, 4464 (2002). http://doi.org/10.1021/cm0206901
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 9.466
Times cited: 28
DOI: 10.1021/cm0206901
|
“Positively charged magneto-excitons in a semiconductor quantum well”. Riva C, Peeters FM, Varga K, Physical review : B : condensed matter and materials physics 64, 235301 (2001). http://doi.org/10.1103/PhysRevB.64.235301
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 25
DOI: 10.1103/PhysRevB.64.235301
|
“Positron annihilation study of nanocrystalline Ni3Al : simulations and measurements”. Kuriplach J, van Petegem S, Hou M, Van Tendeloo G, Schryvers D, et al, Materials science forum
T2 –, 12th International Conference on Positron Annihilation (ICPA-12), AUG 06-12, 2000, UNIV BUNDERSWEHR MUNCHEN, NEUBIBERG, GERMANY 363-3, 94 (2001)
Abstract: A positron lifetime experiment is performed on samples produced by the compaction of nanocrystalline Ni3Al powder synthesized by the inert-gas condensation technique. In the lifetime spectrum we observe two components corresponding to defects. Computer (virtual) samples of n-Ni3Al are obtained using molecular dynamics combined with the Metropolis Monte Carlo technique. Positron lifetime calculations are then performed on selected regions of simulated samples. For this purpose, a new computational technique based on a generalization of the atomic superposition method for non-periodic systems was developed. Lifetimes calculated in this way are compared to experiment.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
|
“Power-law dependence of the angular momentum transition fields in few-electron quantum dots”. Anisimovas E, Matulis A, Tavernier MB, Peeters FM, Physical review : B : condensed matter and materials physics 69, 075305 (2004). http://doi.org/10.1103/PhysRevB.69.075305
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 12
DOI: 10.1103/PhysRevB.69.075305
|
“Preparation of nanocrystalline titania powder by aerosol pyrolysis of titanium alkoxide”. Ahonen PP, Kauppinen EI, Deschanvres JL, Joubert JC, Van Tendeloo G, Materials Research Society symposium proceedings 520, 109 (1998)
Keywords: P1 Proceeding; Electron microscopy for materials research (EMAT)
Times cited: 2
|
“Preparation of nanocrystalline titania powder via aerosol pyrolysis of titanium tetrabutoxide”. Ahonen PP, Kauppinen EI, Joubert JC, Deschanvres JL, Van Tendeloo G, Journal of materials research 14, 3938 (1999). http://doi.org/10.1557/JMR.1999.0533
Abstract: Nanocrystalline titanium dioxide was prepared via aerosol pyrolysis of titanium alkoxide precursor at 200-580 degrees C in air and in nitrogen atmospheres. Powders were characterized by x-ray diffraction, thermogravimetric analysis, Brunauer-Emmett-Teller analysis, scanning electron microscopy, transmission electron microscopy, energy dispersive spectroscopy, x-ray fluorescence, Raman and infrared spectroscopy, and Berner-type low-pressure impactor. The anatase phase transition was initiated at 500 degrees C in nitrogen and at 580 degrees C in air. Under other conditions amorphous powders were observed and transformed to nanocrystalline TiO2 via thermal postannealing. In air, smooth and spherical particles with 2-4-mu m diameter were formed with an as-expected tendency to convert to rutile in the thermal postannealings. In nitrogen, a fraction of the titanium tetrabutoxide precursor evaporated and formed ultrafine particles via the gas-to-particle conversion. At 500 degrees C thermally stable anatase phase was formed in nitrogen. A specific surface area as high as 280 m(2) g(-1) was observed for an as-prepared powder.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.673
Times cited: 38
DOI: 10.1557/JMR.1999.0533
|
“Pressure-Collapsed Amorphous Mg(BH4)(2): An Ultradense Complex Hydride Showing a Reversible Transition to the Porous Framework”. Ban V, Soloninin AV, Skripov AV, Hadermann J, Abakumov A, Filinchuk Y, The journal of physical chemistry: C : nanomaterials and interfaces 118, 23402 (2014). http://doi.org/10.1021/jp507286m
Abstract: Hydrogen-storage properties of complex hydrides depend of their form, such as a polymorphic form or an eutectic mixture. This Paper reports on an easy and reproducible way to synthesize a new stable form of magnesium borohydride by pressure-induced collapse of the porous gamma-Mg(BH4)(2). This amorphous complex hydride was investigated by temperature-programmed synchrotron X-ray diffraction (SXRD), transmission electron microscopy (TEM), thermogravimetric analysis, differential scanning calorimetry analysis, and Raman spectroscopy, and the dynamics of the BH4 reorientation was studied by spinlattice relaxation NMR spectroscopy. No long-range order is observed in the lattice region by Raman spectroscopy, while the internal vibration modes of the BH4 groups are the same as in the crystalline state. A hump at 4.9 angstrom in the SXRD pattern suggests the presence of nearly linear MgBH4 Mg fragments constituting all the known crystalline polymorphs of Mg(BH4)(2), which are essentially frameworks built of tetrahedral Mg nodes and linear BH4 linkers. TEM shows that the pressure-collapsed phase is amorphous down to the nanoscale, but surprisingly, SXRD reveals a transition at similar to 90 degrees C from the dense amorphous state (density of 0.98 g/cm(3)) back to the porous ? phase having only 0.55 g/cm(3) crystal density. The crystallization is slightly exothermic, with the enthalpy of -4.3 kJ/mol. The volumetric hydrogen density of the amorphous form is 145 g/L, one of the highest among hydrides. Remarkably, this form of Mg(BH4)2 has different reactivity compared to the crystalline forms. The parameters of the reorientational motion of BH4 groups in the amorphous Mg(BH4)(2) found from NMR measurements differ significantly from those in the known crystalline forms. The behavior of the nuclear spinlattice relaxation rates can be described in terms of a Gaussian distribution of the activation energies centered on 234 +/- 9 meV with the dispersion of 100 +/- 10 meV.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.536
Times cited: 23
DOI: 10.1021/jp507286m
|
“Production of carbon nanotubes with marine manganese nodule as a versatile catalyst”. Cheng J-P, Zhang XB, Ye Y, Tu JP, Liu F, Tao XY, Geise HJ, Van Tendeloo G, Microporous and mesoporous materials 81, 73 (2005). http://doi.org/10.1016/j.micromeso.2004.11.014
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.615
Times cited: 20
DOI: 10.1016/j.micromeso.2004.11.014
|
“Properties and thermal stability of solution processed ultrathin, high-k bismuth titanate (Bi2Ti2O7) films”. Hardy A, Van Elshocht S, De Dobbelaere C, Hadermann J, Pourtois G, De Gendt S, Afanas'ev VV, Van Bael MK, Materials research bulletin 47, 511 (2012). http://doi.org/10.1016/j.materresbull.2012.01.001
Abstract: Ultrathin bismuth titanate films (Bi2Ti2O7, 5-25 nm) are deposited onto SiO2/Si substrates by aqueous chemical solution deposition and their evolution during annealing is studied. The films crystallize into a preferentially oriented, pure pyrochlore phase between 500 and 700 degrees C, depending on the film thickness and the total thermal budget. Crystallization causes a strong increase of surface roughness compared to amorphous films. An increase of the interfacial layer thickness is observed after anneal at 600 degrees C, together with intermixing of bismuth with the substrate as shown by TEM-EDX. The band gap was determined to be similar to 3 eV from photoconductivity measurements and high dielectric constants between 30 and 130 were determined from capacitance voltage measurements, depending on the processing conditions. (C) 2012 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.446
DOI: 10.1016/j.materresbull.2012.01.001
|
“Properties of two-dimensional Coulomb clusters confined in a ring”. Schweigert IV, Schweigert VA, Peeters FM, Physical review : B : condensed matter and materials physics 54, 10827 (1996). http://doi.org/10.1103/PhysRevB.54.10827
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 27
DOI: 10.1103/PhysRevB.54.10827
|
“Proximity induced metal-insulator transition in YBa2Cu3O7/La2/3Ca1/3MnO3 superlattices”. Holden T, Habermeier H-U, Cristiani G, Golnik A, Boris A, Pimenov A, Humlicek J, Lebedev OI, Van Tendeloo G, Keimer B, Bernhard C, Physical review : B : condensed matter and materials physics 69, 064505 (2004). http://doi.org/10.1103/PhysRevB.69.064505
Abstract: The far-infrared dielectric response of superlattices (SL) composed of superconducting YBa2Cu3O7 (YBCO) and ferromagnetic La0.67Ca0.33MnO3 (LCMO) has been investigated by ellipsometry. A drastic decrease of the free-carrier response is observed which involves an unusually large length scale of d(crit)approximate to20 nm in YBCO and d(crit)approximate to10 nm in LCMO. A corresponding suppression of metallicity is not observed in SL's where LCMO is replaced by the paramagnetic metal LaNiO3. Our data suggest that either a long-range charge transfer from the YBCO to the LCMO layers or alternatively a strong coupling of the charge carriers to the different and competitive kind of magnetic correlations in the LCMO and YBCO layers is at the heart of the observed metal-insulator transition. The low free-carrier response observed in the far-infrared dielectric response of the magnetic superconductor RuSr2GdCu2O8 is possibly related to this effect.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 101
DOI: 10.1103/PhysRevB.69.064505
|
“Quantum and transport conductivities in monolayer graphene”. Dong HM, Xu W, Zeng Z, Lu TC, Peeters FM, Physical review : B : condensed matter and materials physics 77, 235402 (2008). http://doi.org/10.1103/PhysRevB.77.235402
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 31
DOI: 10.1103/PhysRevB.77.235402
|
“Quantum rings as electron spin beam splitters”. Földi P, Kálmán O, Benedict MG, Peeters FM, Physical review : B : condensed matter and materials physics 73, 155325 (2006). http://doi.org/10.1103/PhysRevB.73.155325
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 145
DOI: 10.1103/PhysRevB.73.155325
|
“Quantum states in a magnetic anti-dot”. Reijniers J, Peeters FM, Matulis A, Physical review : B : condensed matter and materials physics 59, 2817 (1999). http://doi.org/10.1103/PhysRevB.59.2817
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Engineering Management (ENM)
Impact Factor: 3.836
Times cited: 92
DOI: 10.1103/PhysRevB.59.2817
|
“Quantum structures created by nonhomogeneous magnetic fields”. Peeters FM, Matulis A, Physical review : B : condensed matter and materials physics 48, 15166 (1993). http://doi.org/10.1103/PhysRevB.48.15166
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 183
DOI: 10.1103/PhysRevB.48.15166
|
“Quantum transport of a two-dimensional electron gas in a spatially modulated magnetic field”. Peeters FM, Vasilopoulos P, Physical review : B : condensed matter and materials physics 47, 1466 (1993). http://doi.org/10.1103/PhysRevB.47.1466
Abstract: Electrical transport properties of a two-dimensional electron gas axe studied in the presence of a perpendicular magnetic field B modulated weakly and periodically along one direction, B = (B + B0 cos Kx)z, with B0 much less than B, K = 2pi/a, and a being the period of the modulation. B0 is taken constant or proportional to B. The Landau levels broaden into bands and their width, proportional to the modulation strength B0, oscillates with B and gives rise to oscillations in the magnetoresistance at low B. These oscillations reflect the commensurability between the cyclotron diameter at the Fermi level and the period a and consequently hey are distinctly different from the Shubnikov-de Ha.as ones, at higher B, in period and temperature dependence. The bandwidth at the Fermi energy can be one order of magnitude larger, at low B, than that of the electric case for equal modulation strengths. The resulting magnetoresistance oscillations have a much higher amplitude than those of the electric case with which they are out of phase. Explicit asymptotic expressions are derived for the temperature dependence of the transport coefficients. The case when both electric and magnetic modulations are present is also considered. The position of the resulting oscillations depends on the ratio delta between the two modulation strengths. When the modulations are out of phase there is no shift in the position of the oscillations when delta varies and for a particular value of delta the oscillations are suppressed.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 169
DOI: 10.1103/PhysRevB.47.1466
|
“Quantum-wire spectroscopy and epitaxial-growth velocities in InxGa1-xAs-InP heterostructures”. Worlock JM, Peeters FM, Cox HM, Morais PC, Physical review : B : condensed matter and materials physics 44, 8923 (1991)
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.736
Times cited: 12
|
“Quasibound states of quantum dots in single and bilayer graphene”. Matulis A, Peeters FM, Physical review : B : condensed matter and materials physics 77, 115423 (2008). http://doi.org/10.1103/PhysRevB.77.115423
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 153
DOI: 10.1103/PhysRevB.77.115423
|
“R-phase structure refinement using electron diffraction data”. Schryvers D, Potapov PL, Materials transactions 43, 774 (2002). http://doi.org/10.2320/matertrans.43.774
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.713
Times cited: 25
DOI: 10.2320/matertrans.43.774
|
“Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: a molecular dynamics study”. Neyts E, Tacq M, Bogaerts A, Diamond and related materials 15, 1663 (2006). http://doi.org/10.1016/j.diamond.2006.02.003
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.561
Times cited: 18
DOI: 10.1016/j.diamond.2006.02.003
|
“Reactions of high FeO-olivine rock with groundwater and redox-sensitive elements studied by surface-analytical methods and autoradiography”. Hellmuth KH, Siitari-Kaupi M, Rauhala E, Johansson B, Zilliacus R, Gijbels R, Adriaens A, Materials Research Society symposium proceedings 333, 947 (1994)
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Times cited: 6
|
“Real-space characterization of short-range order in Cu-Pd alloys”. Rodewald M, Rodewald K, De Meulenaere P, Van Tendeloo G, Physical review : B : condensed matter and materials physics 55, 14173 (1997). http://doi.org/10.1103/PhysRevB.55.14173
Abstract: Cu-Pd alloys containing 10, 20, 30, 40, and 50 at. % Pd and quenched from a temperature just above the ordering temperature T-c are investigated by electron diffraction and high-resolution electron microscopy (HREM). The results show diffuse electron diffraction intensities at {100} and {110} positions for the alloy with 10 at. % Pd, but with a characteristic twofold and fourfold splitting for the alloys with more than 10 at. % Pd. High-resolution images show the formation of microdomains best developed between 20 and 30 at. % Pd. A real-space characterization has been performed by applying videographic real-structure simulations revealing that the splitting of the diffuse maxima depends on the average distance between microdomains of Cu3Au type in antiphase with each other. By applying image processing routines on the HREM images, correlation vectors are identified which correspond to correlations between microdomains.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 15
DOI: 10.1103/PhysRevB.55.14173
|