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Author De Bie, C.; van Dijk, J.; Bogaerts, A.
Title The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge Type A1 Journal article
Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 119 Issue 119 Pages 22331-22350
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000362385700010 Publication Date 2015-09-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 46 Open Access
Notes This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO). Approved Most recent IF: 4.536; 2015 IF: 4.772
Call Number c:irua:128774 Serial 3960
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Author Szaszko-Bogar, V.; Peeters, F.M.; Foeldi, P.
Title Oscillating spin-orbit interaction in two-dimensional superlattices : sharp transmission resonances and time-dependent spin-polarized currents Type A1 Journal article
Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 91 Issue 91 Pages 235311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We consider ballistic transport through a lateral, two-dimensional superlattice with experimentally realizable, sinusoidally oscillating, Rashba-type spin-orbit interaction (SOI). The periodic structure of the rectangular lattice produces a spin-dependent miniband structure for static SOI. Using Floquet theory, transmission peaks are shown to appear in themini-bandgaps as a consequence of the additional, time-dependent SOI. A detailed analysis shows that this effect is due to the generation of harmonics of the driving frequency, via which, e.g., resonances that cannot be excited in the case of static SOI become available. Additionally, the transmitted current shows space-and time-dependent partial spin polarization, in other words, polarization waves propagate through the superlattice.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000355956500003 Publication Date 2015-06-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 10 Open Access
Notes ; This work was partially supported by the European Union and the European Social Fund through Projects No. TAMOP-4.2.2.C-11/1/KONV-2012-0010 and No. TAMOP-4.2.2.A-11/1/KONV-2012-0060, and by the Hungarian Scientific Research Fund (OTKA) under Contracts No. T81364 and No. 116688. The ELI-ALPS Project (GOP-1.1.1-12/B-2012-0001) is supported by the European Union and cofinanced by the European Regional Development Fund. ; Approved Most recent IF: 3.836; 2015 IF: 3.736
Call Number c:irua:126432 Serial 2534
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Author Shanenko, A.A.; Croitoru, M.D.; Peeters, F.M.
Title Oscillations of the superconducting temperature induced by quantum well states in thin metallic films: numerical solution of the Bogoliubov-de Gennes equations Type A1 Journal article
Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 75 Issue 1 Pages 014519,1-9
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000243894600126 Publication Date 2007-01-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 85 Open Access
Notes Fwo-Vi; Bof-Top; Iap Approved Most recent IF: 3.836; 2007 IF: 3.172
Call Number UA @ lucian @ c:irua:63749 Serial 2535
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Author Peeters, F.M.; Matulis, A.; Helm, M.; Fromherz, T.; Hilber, W.
Title Oscillator strength and sum rule for inter-subband transitions in a superlattice Type A1 Journal article
Year 1993 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 48 Issue Pages 12008-12015
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos A1993ME60100058 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.736 Times cited 28 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:5782 Serial 2536
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Author Scarrozza, M.; Pourtois, G.; Houssa, M.; Heyns, M.; Stesmans, A.
Title Oxidation of the GaAs(001) surface : insights from first-principles calculations Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue 19 Pages 195307-195307,8
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We performed a detailed investigation of the oxidation of the technologically relevant GaAs(001)-beta 2(2x4) surface via density functional calculations. The purpose is to gain insights on the atomistic mechanisms and local bondings that underlie the degradation of the surface properties once exposed to oxygen. The study comprises the adsorption of single O atoms, through the sampling of several adsorption sites, and the subsequent formation of the O adsorbate at increasing coverage by taking into account multiple-atom adsorption. Based on the evaluation of the energetics and the structural properties of the atomistic models generated, the results here reported delineate a consistent picture of the initial stage of the surface oxidation: (i) at low coverage, in the limit of single O insertions, oxygen is incorporated on the surface forming a twofold-bridging Ga-O-As bond; (ii) at increasing coverage, as multiple O atoms are involved, this is accompanied by the formation of a threefold-coordinated bond (with two Ga and one As atoms); (iii) the latter has important implications regarding the electronic properties of the adsorbate since this O bonding may result in the formation of As dangling bonds. Moreover, a clear trend of increased energy gain for the incorporation of neighboring O atoms compared to single O insertions indicates that the formation of oxide clusters is favored over a regime of uniform oxidation. Our findings provide a detailed description of the O bonding and stress the importance of modeling the adsorption of multiple O atoms for an accurate description of the surface oxidation.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000303755700006 Publication Date 2012-05-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 15 Open Access
Notes Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:99122 Serial 2538
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Author Gillie, L.J.; Hadermann, J.; Hervieu, M.; Maignan, A.; Martin, C.
Title Oxygen vacancy ordering in the double-layered Ruddlesden-Popper cobaltite Sm2BaCo2O7-\delta Type A1 Journal article
Year 2008 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 20 Issue 19 Pages 6231-6237
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A new oxygen-deficient Ruddlesden−Popper (RP) cobaltite Sm2BaCo2O7−δ (δ ≈ 1.0) has been synthesized and the crystal structure elucidated by Rietveld analysis of X-ray powder diffraction (XRD) data and transmission electron microscopy (TEM). The phase crystallizes in a primitive orthorhombic unit cell, with lattice parameters a = 5.4371(4) Å; b = 5.4405(4) Å and c = 19.8629(6) Å, and space group Pnnm. Contrary to other oxygen-deficient cobalt RP phases, the oxygen vacancies are located in the equatorial positions of the [CoO] layers to give an intralayer structure similar to Sr2Mn2O5, which is not usually observed for cobalt-containing materials. The Sm3+ and Ba2+ cations show a strong preference for distinct sites, with the majority of the larger Ba2+ cations situated in the perovskite block layers and Sm3+ cations predominantly in the rock salt layers. Magnetic susceptibility data demonstrate the strong antiferromagnetic (AFM) character of Sm2BaCo2O7−δ.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000259871500038 Publication Date 2008-09-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 7 Open Access
Notes Approved Most recent IF: 9.466; 2008 IF: 5.046
Call Number UA @ lucian @ c:irua:72946 Serial 2548
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Author Gonzalez, A.; Partoens, B.; Peeters, F.M.
Title Padé approximants for the groundstate energy of closed-shell quantum dots Type A1 Journal article
Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 56 Issue Pages 15740-15743
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000071251000036 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 18 Open Access
Notes Approved Most recent IF: 3.836; 1997 IF: NA
Call Number UA @ lucian @ c:irua:19270 Serial 2550
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Author Berdiyorov, G.R.; Milošević, M.V.; Savel'ev, S.; Kusmartsev, F.; Peeters, F.M.
Title Parametric amplification of vortex-antivortex pair generation in a Josephson junction Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 90 Issue 13 Pages 134505
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using advanced three-dimensional simulations, we show that an Abrikosov vortex, trapped inside a cavity perpendicular to an artificial Josephson junction, can serve as a very efficient source for generation of Josephson vortex-antivortex pairs in the presence of the applied electric current. In such a case, the nucleation rate of the pairs can be tuned in a broad range by an out-of-plane ac magnetic field in a broad range of frequencies. This parametrically amplified vortex-antivortex nucleation can be considered as a macroscopic analog of the dynamic Casimir effect, where fluxon pairs mimic the photons and the ac magnetic field plays the role of the oscillating mirrors. The emerging vortex pairs in our system can be detected by the pronounced features in the measured voltage characteristics, or through the emitted electromagnetic radiation, and exhibit resonant dynamics with respect to the frequency of the applied magnetic field. Reported tunability of the Josephson oscillations can be useful for developing high-frequency emission devices.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000344025100003 Publication Date 2014-10-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 22 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-VI) and the Leverhulme Trust. G.R.B. acknowledges support from a EU-Marie Curie individual grant (Grant No. 253057) ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:121176 Serial 2553
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Author Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M.; Axt, V.M.
Title Parity-fluctuation induced enlargement of the ratio \DeltaE/kBTc in metallic grains Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 21 Pages 214518-214518,12
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate how the interplay of quantum confinement and particle number-parity fluctuations affects superconducting correlations in ultra-small metallic grains. Using the number-parity projected BCS formalism we calculate the critical temperature and the excitation gap as a function of the grain size for grains with even and odd number of confined carriers. We show that the experimentally observed anomalous increase of the coupling ratio ΔE/kBTc with decreasing superconducting grain size can be attributed to an enhancement of the number-parity fluctuations in ultra-small grains.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000298114100003 Publication Date 2011-12-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 14 Open Access
Notes ; This work was supported by the European Community under a Marie Curie IEF Action (Grant Agreement No. PIEF-GA-2009-235486-ScQSR), the Flamish Science Foundation (FWO-Vl), and the Belgian Science Policy (IAP). M. D. C. thanks A. S. Mel'nikov and N. B. Kopnin for fruitful discussions. ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:94373 Serial 2555
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Author Gibaud, A.; Hazra, S.; Sella, C.; Laffez, P.; Désert, A.; Naudon, A.; Van Tendeloo, G.
Title Particle layering in the ceramic-metal thin film Pt-Al2O3 Type A1 Journal article
Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 63 Issue Pages 193407,1-4
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000168814200019 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 25 Open Access
Notes Approved Most recent IF: 3.836; 2001 IF: NA
Call Number UA @ lucian @ c:irua:54739 Serial 2563
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Author Esken, D.; Zhang, X.; Lebedev, O.I.; Schröder, F.; Fischer, R.A.
Title Pd@MOF-5: limitations of gas-phase infiltration and solution impregnation of [Zn4O(bdc)3] (MOF-5) with metalorganic palladium precursors for loading with Pd nanoparticles Type A1 Journal article
Year 2009 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem
Volume 19 Issue 9 Pages 1314-1319
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The limitations of the loading of the porous metalorganic framework [Zn4O(bdc)3] (bdc = benzene-1,4-dicarboxylate; MOF-5 or IRMOF-1) with Pd nanoparticles was investigated. First, the volatile organometallic precursor [Pd(5-C5H5)(3-C3H5)] was employed to get the inclusion compound [Pd(5-C5H5)(3-C3H5)]x@MOF-5 via gas-phase infiltration at 10-3 mbar. A loading of four molecules of [Pd(5-C5H5)(3-C3H5)] per formula unit of MOF-5 (x = 4) can be reached (35 wt.% Pd). Second, the metalorganic precursor [Pd(acac)2] (acac = 2,4-pentanedionate) was used and the inclusion materials [Pd(acac)2]x@MOF-5 of different Pd loadings were obtained by incipient wetness infiltration. However, the maximum loading was lower as compared with the former case with about two precursor molecules per formula unit of MOF-5. Both loading routes are suitable for the synthesis of Pd nanoparticles inside the porous host matrix. Homogeneously distributed nanoparticles with diameter of 2.4(±0.2) nm can be achieved by photolysis of the inclusion compounds [Pd(5-C5H5)(3-C3H5)]x@MOF-5 (x 4), while the hydrogenolysis of [Pd(acac)2]x@MOF-5 (x 2) leads to a mixture of small particles inside the network (< 3 nm) and large Pd agglomerates (40 nm) on the outer surface of the MOF-5 specimens. The pure Pdx@MOF-5 materials proved to be stable under hydrogen pressure (2 bar) at 150 °C over many hours. Neither hydrogenation of the bdc linkers nor particle growth was observed. The new composite materials were characterized by 1H/13C-MAS-NMR, powder XRD, ICP-AES, FT-IR, N2 sorption measurements and high resolution TEM. Raising the Pd loading of a representative sample Pd4@MOF-5 (35 wt.% Pd) by using [Pd(5-C5H5)(3-C3H5)] as precursor in a second cycle of gas-phase infiltration and photolysis was accompanied by the collapse of the long-range crystalline order of the MOF.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Cambridge Editor
Language Wos 000263450300015 Publication Date 2009-01-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 100 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:76318 Serial 2565
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Author Croitoru, M.D.; Buzdin, A.I.
Title Peculiarities of the orbital effect in the Fulde-Ferrell-Larkin-Ovchinnikov state in quasi-one-dimensional superconductors Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue 22 Pages 224506
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using the quasiclassical formalism, we determine the low-temperature phase diagram of a quasi-one-dimensional superconductor, taking into account the interchain Josephson coupling and the paramagnetic spin splitting. We show that the anisotropy of the onset of superconductivity changes in the FFLO state as compared with the conventional superconducting phase. It can result in anomalous peaks in the field-direction dependence of the upper critical field when the magnetic field length equals to the FFLO period. This regime is characterized by the lock-in effect of the FFLO modulation wave vector, which is governed by the magnetic length. Furthermore, in the FFLO phase, the anisotropy of the upper critical field is inverted at T-1(**) = 0.5T(c0), where the orbital anisotropy disappears. We suggest that an experimental study of the anisotropy of the upper critical field can provide very reach information about the parameters of the FFLO phase in quasi-1D samples.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000336975000005 Publication Date 2014-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited Open Access
Notes Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:117749 Serial 2569
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Author Gou, H.; Tsirlin, A.A.; Bykova, E.; Abakumov, A.M.; Van Tendeloo, G.; Richter, A.; Ovsyannikov, S.V.; Kurnosov, A.V.; Trots, D.M.; Konôpková, Z.; Liermann, H.P.; Dubrovinsky, L.; Dubrovinskaia, N.;
Title Peierls distortion, magnetism, and high hardness of manganese tetraboride Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue 6 Pages 064108-64109
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report crystal structure, electronic structure, and magnetism of manganese tetraboride, MnB4, synthesized under high-pressure, high-temperature conditions. In contrast to superconducting FeB4 and metallic CrB4, which are both orthorhombic, MnB4 features a monoclinic crystal structure. Its lower symmetry originates from a Peierls distortion of the Mn chains. This distortion nearly opens the gap at the Fermi level, but despite the strong dimerization and the proximity of MnB4 to the insulating state, we find indications for a sizable paramagnetic effective moment of about 1.7 mu(B)/f.u., ferromagnetic spin correlations, and, even more surprisingly, a prominent electronic contribution to the specific heat. However, no magnetic order has been observed in standard thermodynamic measurements down to 2 K. Altogether, this renders MnB4 a structurally simple but microscopically enigmatic material; we argue that its properties may be influenced by electronic correlations.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000332405000002 Publication Date 2014-02-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 39 Open Access
Notes Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:115819 Serial 2571
Permanent link to this record
 
 
Author da Costa, W.B.; Peeters, F.M.
Title Phase diagram for large two dimensional bipolarons in a magnetic field Type A1 Journal article
Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 57 Issue Pages 10569-10575
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000073464500063 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 8 Open Access
Notes Approved Most recent IF: 3.836; 1998 IF: NA
Call Number UA @ lucian @ c:irua:24168 Serial 2581
Permanent link to this record
 
 
Author Tsirlin, A.A.; Nath, R.; Abakumov, A.M.; Furukawa, Y.; Johnston, D.C.; Hemmida, M.; Krug von Nidda, H.-A.; Loidl, A.; Geibel, C.; Rosner, H.
Title Phase separation and frustrated square lattice magnetism of Na1.5VOPO4F0.5 Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 84 Issue 1 Pages 014429-014429,16
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Crystal structure, electronic structure, and magnetic behavior of the spin-1/2 quantum magnet Na1.5VOPO4F0.5 are reported. The disorder of Na atoms leads to a sequence of structural phase transitions revealed by synchrotron x-ray powder diffraction and electron diffraction. The high-temperature second-order α↔β transition at 500 K is of the order-disorder type, whereas the low-temperature β↔γ+γ′ transition around 250 K is of the first order and leads to a phase separation toward the polymorphs with long-range (γ) and short-range (γ′) order of Na. Despite the complex structural changes, the magnetic behavior of Na1.5VOPO4F0.5 probed by magnetic susceptibility, heat capacity, and electron spin resonance measurements is well described by the regular frustrated square lattice model of the high-temperature α-polymorph. The averaged nearest-neighbor and next-nearest-neighbor couplings are J̅ 1≃−3.7 K and J̅ 2≃6.6 K, respectively. Nuclear magnetic resonance further reveals the long-range ordering at TN=2.6 K in low magnetic fields. Although the experimental data are consistent with the simplified square-lattice description, band structure calculations suggest that the ordering of Na atoms introduces a large number of inequivalent exchange couplings that split the square lattice into plaquettes. Additionally, the direct connection between the vanadium polyhedra induces an unusually strong interlayer coupling having effect on the transition entropy and the transition anomaly in the specific heat. Peculiar features of the low-temperature crystal structure and the relation to isostructural materials suggest Na1.5VOPO4F0.5 as a parent compound for the experimental study of tetramerized square lattices as well as frustrated square lattices with different values of spin.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000293247400008 Publication Date 2011-07-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 47 Open Access
Notes Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:91770 Serial 2588
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Author Wang, Z.-H.; Kronmüller, H.; Lebedev, O.I.; Gross, G.M.; Razavi, F.S.; Habermeier, H.U.; Shen, B.G.
Title Phase transition and magnetic anisotropy of (La,Sr)MnO3 thin films Type A1 Journal article
Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 65 Issue 5 Pages 054411-54416
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The magnetic proper-ties and their correlation with the microstructure and electrical transport are investigated in La0.88Sr0.1MnO3 films grown on (100)SrTiO3 Single crystal substrates with thickness ranging from 100 to 2500 Angstrom. The ultrathin film (t = 100 Angstrom) has a single ferromagnetic transition (FMT) at T-c of 250 K, whereas the thicker films exhibit two FMTs, with the main one at a lowered T-c of 200 K while the minor one around 300 K. Furthermore, a thickness dependent magnetic anisotropy has been found, strongly indicating the existence of strain effect, which is also revealed by the transmission electron microscopy study. The suppressed Jahn-Teller distortion (JTD) by the epitaxial strain, and the recovered JTD due to the strain relexation are suggested to explain the metallic behavior in thin films and the insulating behavior in the thick film (t = 2500 Angstrom), repectively.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000173647000058 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 23 Open Access
Notes Approved Most recent IF: 3.836; 2002 IF: NA
Call Number UA @ lucian @ c:irua:103883 Serial 2592
Permanent link to this record
 
 
Author Nikolaev, A.V.; Prassides, K.; Michel, K.H.
Title Phase transitions in AC60 (A=Rb, Cs) fullerides Type A3 Journal article
Year 1997 Publication Recent advances in the chemistry and physics of fullerenes and related materials Abbreviated Journal
Volume 5 Issue Pages 450-460
Keywords A3 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:21182 Serial 2596
Permanent link to this record
 
 
Author Schweigert, V.A.; Peeters, F.M.
Title Phase transitions in thin mesoscopic superconducting disks Type A1 Journal article
Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 57 Issue Pages 13817-13832
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000074061700068 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 200 Open Access
Notes Approved Most recent IF: 3.836; 1998 IF: NA
Call Number UA @ lucian @ c:irua:24167 Serial 2598
Permanent link to this record
 
 
Author Michel, K.H.; Verberck, B.
Title Phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride Type A1 Journal article
Year 2011 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 83 Issue 11 Pages 115328-115328,14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A unified theory of phonon dispersions and piezoelectricity in bulk and multilayers of hexagonal boron nitride (h-BN) is derived. The dynamical matrix is calculated on the basis of an empirical force constant model of intralayer valence and interlayer van der Waals interactions. Coulomb interactions are calculated by Ewalds method, adapted for the three-dimensional (3D) and the multilayer case. The deformation of the ionic charge distribution with long-wave lattice displacements is taken into account. Special attention is devoted to the nonanalytic long-range Coulomb contribution to the dynamical matrix which is different for the 3D crystal and the multilayer case. Consequently there is a splitting of the transverse optical (TO) and longitudinal optical (LO) phonon branches of E1u symmetry and a discontinuity of the A2u branch at the Γ point in 3D h-BN. No such splitting and discontinuity at Γ are present in multilayer crystals with a finite number N of layers. There a diverging bundle of N overbending optical phonon branches emerges from Γ. Borns long-wave theory is applied and extended for the study of piezoelectricity in layered crystals. While 3D h-BN and h-BN multilayers with an even number of layers (symmetry D6h) are not piezoelectric, multilayers with an uneven number of Nu layers (symmetry D3h) are piezoelectric; the piezoelectric coefficient e1,11 is inversely proportional to Nu.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000288783700005 Publication Date 2011-03-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 82 Open Access
Notes ; Discussions with G. Heger, B. Partoens, and F. M. Peeters are gratefully acknowledged. This work has been supported by the Flemish Science Foundation (FWO-V1) and the Bijzonder Onderzoeksfonds, Universiteit Antwerpen (BOF-UA). ; Approved Most recent IF: 3.836; 2011 IF: 3.691
Call Number UA @ lucian @ c:irua:89602 Serial 2603
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Author Wee, L.H.; Meledina, M.; Turner, S.; Custers, K.; Kerkhofs, S.; Van Tendeloo, G.; Martens, J.A.
Title Hematite iron oxide nanorod patterning inside COK-12 mesochannels as an efficient visible light photocatalyst Type A1 Journal article
Year 2015 Publication Journal of materials chemistry A : materials for energy and sustainability Abbreviated Journal J Mater Chem A
Volume 3 Issue 3 Pages 19884-19891
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The uniform dispersion of functional oxide nanoparticles on the walls of ordered mesoporous silica to tailor optical, electronic, and magnetic properties for biomedical and environmental applications is a scientific challenge. Here, we demonstrate homogeneous confined growth of 5 nanometer-sized hematite iron oxide (α-Fe2O3) inside mesochannels of ordered mesoporous COK-12 nanoplates. The three-dimensional inclusion of the α-Fe2O3 nanorods in COK-12 particles is studied using high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), energy-dispersive X-ray (EDX) spectroscopy and electron tomography. High resolution imaging and EDX spectroscopy provide information about the particle size, shape and crystal phase of the loaded α-Fe2O3 material, while electron tomography provides detailed information on the spreading of the nanorods throughout the COK-12 host. This nanocomposite material, having a semiconductor band gap energy of 2.40 eV according to diffuse reflectance spectroscopy, demonstrates an improved visible light photocatalytic degradation activity with rhodamine 6G and 1-adamantanol model compounds.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000362041300033 Publication Date 2015-08-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488;2050-7496; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.867 Times cited 9 Open Access
Notes L.H.W. and S.T. thank the FWO-Vlaanderen for a postdoctoral research fellowship (12M1415N) and under contract number G004613N . J.A.M gratefully acknowledge financial supports from Flemish Government (Long-term structural funding-Methusalem). Collaboration among universities was supported by the Belgian Government (IAP-PAI network). Approved Most recent IF: 8.867; 2015 IF: 7.443
Call Number c:irua:132567 Serial 3959
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Author Axt, V.M.; Kuhn, T.; Vagov, A.; Peeters, F.M.
Title Phonon-induced pure dephasing in exciton-biexciton quantum dot systems driven by ultrafast laser pulse sequences Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue 12 Pages 125309-125315
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A semiconductor quantum dot model accounting for single exciton as well as biexciton states coupled to phonons and laser light is investigated in the limit of strong electronic confinement. For an arbitrary sequence of excitations with ultrafast pulses analytical solutions are obtained for all density-matrix elements. The results are nonperturbative with respect to both the carrier-phonon and the carrier-light coupling. Numerical results for a single pulse excitation are presented illustrating spectral features of our solution as well as pulse area and temperature dependences.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000232229400075 Publication Date 2005-09-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 48 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:103139 Serial 2604
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Author Horzum, S.; Sahin, H.; Cahangirov, S.; Cudazzo, P.; Rubio, A.; Serin, T.; Peeters, F.M.
Title Phonon softening and direct to indirect band gap crossover in strained single-layer MoSe2 Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 12 Pages 125415-5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Motivated by recent experimental observations of Tongay et al. [Nano Lett. 12, 5576 (2012)] we show how the electronic properties and Raman characteristics of single layer MoSe2 are affected by elastic biaxial strain. We found that with increasing strain: (1) the E' and E '' Raman peaks (E-2g and E-1g in bulk) exhibit significant redshifts (up to similar to 30 cm(-1)), (2) the position of the A'(1) peak remains at similar to 180 cm(-1) (A(1g) in bulk) and does not change considerably with further strain, (3) the dispersion of low energy flexural phonons crosses over from quadratic to linear, and (4) the electronic band structure undergoes a direct to indirect band gap crossover under similar to 3% biaxial tensile strain. Thus the application of strain appears to be a promising approach for a rapid and reversible tuning of the electronic, vibrational, and optical properties of single layer MoSe2 and similar MX2 dichalcogenides. DOI:10.1103/PhysRevB.87.125415
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000316383700006 Publication Date 2013-03-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 171 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Marie Curie Long Fellowship. ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:108277 Serial 2605
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Author Vasiliev, R.B.; Babynina, A.V.; Maslova, O.A.; Rumyantseva, M.N.; Ryabova, L.I.; Dobrovolsky, A.A.; Drozdov, K.A.; Khokhlov, D.R.; Abakumov, A.M.; Gaskov, A.M.
Title Photoconductivity of nanocrystalline SnO2 sensitized with colloidal CdSe quantum dots Type A1 Journal article
Year 2013 Publication Journal of materials chemistry C : materials for optical and electronic devices Abbreviated Journal J Mater Chem C
Volume 1 Issue 5 Pages 1005-1010
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A highly reproducible photoresponse is observed in nanocrystalline SnO2 thick films sensitized with CdSe quantum dots. The effect of the SnO2 matrix microstructure on the photoconductivity kinetics and photoresponse amplitude is demonstrated. The photoresponse of the sensitized SnO2 thick films reaches more than two orders of magnitude under illumination with the wavelength of the excitonic transition of the quantum dots. Long-term photoconductivity kinetics and photoresponse dependence on illumination intensity reveal power-law behavior inherent to the disordered nature of SnO2. The photoconductivity of the samples rises with the coarsening of the granular structure of the SnO2 matrix. At the saturation region, the photoresponse amplitude remains stable under 10(4) pulses of illumination switching, demonstrating a remarkably high stability.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000314803600016 Publication Date 2012-11-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7526;2050-7534; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.256 Times cited 13 Open Access
Notes Approved Most recent IF: 5.256; 2013 IF: NA
Call Number UA @ lucian @ c:irua:107705 Serial 2610
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Author Hayne, M.; Jones, C.L.; Bogaerts, R.; Riva, C.; Usher, A.; Peeters, F.M.; Herlach, F.; Moshchalkov, V.V.; Henini, M.
Title Photoluminescence of negatively charged excitons in high magnetic fields Type A1 Journal article
Year 1999 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 59 Issue Pages 2927-2931
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000078463100064 Publication Date 2002-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 86 Open Access
Notes Approved Most recent IF: 3.836; 1999 IF: NA
Call Number UA @ lucian @ c:irua:24158 Serial 2614
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Author Linssen, T.; Cassiers, K.; Cool, P.; Lebedev, O.; Whittaker, A.; Vansant, E.F.
Title Physicochemical and structural characterization of mesoporous aluminosilicates synthesized from leached saponite with additional aluminum incorporation Type A1 Journal article
Year 2003 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 15 Issue 25 Pages 4863-4873
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract A thorough investigation was performed on the physical (mechanical, thermal, and hydrothermal stability) and chemical (ion exchange capacity and silanol number) characteristics of aluminosilicate FSMs, synthesized via a new successful short-time synthesis route using leached saponite and a low concentration of CTAB. Moreover, the influence of an additional Al incorporation, utilizing different aluminum sources, on the structure of the FSM derived from saponite is studied. A mesoporous aluminosilicate with a low Si/Al ratio of 12.8 is synthesized, and still has a very large surface area of 1130 m(2)/g and pore volume of 0.92 cm(3)/g. The aluminum-containing samples all have a high cation exchange capacity of around 1 mmol/9 while they still have a silanol number of about 0.9 OH/nm(2); both characteristics being interesting for high-yield postsynthesis modification reactions. Finally, a study is performed on the transformation of the aluminosilicates into their Bronsted acid form via the exchange with ammonium ions and a consecutive heat treatment.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000187250800026 Publication Date 2003-12-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.466 Times cited 11 Open Access
Notes Approved Most recent IF: 9.466; 2003 IF: 4.374
Call Number UA @ lucian @ c:irua:103265 Serial 2618
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Author Zhang, S.H.; Xu, W.; Badalyan, S.M.; Peeters, F.M.
Title Piezoelectric surface acoustical phonon limited mobility of electrons in graphene on a GaAs substrate Type A1 Journal article
Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 87 Issue 7 Pages 075443-75445
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the mobility of Dirac fermions in monolayer graphene on a GaAs substrate, limited by the combined action of the extrinsic potential of piezoelectric surface acoustical phonons of GaAs (PA) and of the intrinsic deformation potential of acoustical phonons in graphene (DA). In the high-temperature (T) regime, the momentum relaxation rate exhibits the same linear dependence on T but different dependencies on the carrier density n, corresponding to the mobility mu proportional to 1 root n and 1/n, respectively for the PA and DA scattering mechanisms. In the low-T Bloch-Gruneisen regime, the mobility shows the same square-root density dependence mu proportional to root n, but different temperature dependencies mu proportional to T-3 and T-4, respectively for PA and DA phonon scattering. DOI: 10.1103/PhysRevB.87.075443
Address
Corporate Author Thesis (up)
Publisher Place of Publication Editor
Language Wos 000315375200008 Publication Date 2013-02-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 25 Open Access
Notes ; This work was supported by the ESF-Eurocores program EuroGRAPHENE (CONGRAN project) and the Flemish Science Foundation (FWO-VI). ; Approved Most recent IF: 3.836; 2013 IF: 3.664
Call Number UA @ lucian @ c:irua:107655 Serial 2622
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Author Berdiyorov, G.R.; Misko, V.R.; Milošević, M.V.; Escoffier, W.; Grigorieva, I.V.; Peeters, F.M.
Title Pillars as antipinning centers in superconducting films Type A1 Journal article
Year 2008 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 77 Issue 2 Pages 024526,1-14
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000252862600100 Publication Date 2008-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 35 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:67818 Serial 2623
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Author Piacente, G.; Peeters, F.M.
Title Pinning and depinning of a classic quasi-one-dimensional Wigner crystal in the presence of a constriction Type A1 Journal article
Year 2005 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 72 Issue 20 Pages 205208,1-17
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis (up)
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000233603900053 Publication Date 2005-12-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 46 Open Access
Notes Approved Most recent IF: 3.836; 2005 IF: 3.185
Call Number UA @ lucian @ c:irua:56051 Serial 2624
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Author Snoeckx, R.; Aerts, R.; Tu, X.; Bogaerts, A.
Title Plasma-based dry reforming : a computational study ranging from the nanoseconds to seconds time scale Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue 10 Pages 4957-4970
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract We present a computational study for the conversion of CH4 and CO2 into value-added chemicals, i.e., the so-called dry reforming of methane, in a dielectric barrier discharge reactor. A zero-dimensional chemical kinetics model is applied to study the plasma chemistry in a 1:1 CH4/CO2 mixture. The calculations are first performed for one microdischarge pulse and its afterglow, to study in detail the chemical pathways of the conversion. Subsequently, long time-scale simulations are carried out, corresponding to real residence times in the plasma, assuming a large number of consecutive microdischarge pulses, to mimic the conditions of the filamentary discharge regime in a dielectric barrier discharge (DBD) reactor. The conversion of CH4 and CO2 as well as the selectivity of the formed products and the energy cost and energy efficiency of the process are calculated and compared to experiments for a range of different powers and gas flows, and reasonable agreement is reached.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000316308400010 Publication Date 2013-02-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 118 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:106516 Serial 2628
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Author Yusupov, M.; Bogaerts, A.; Huygh, S.; Snoeckx, R.; van Duin, A.C.T.; Neyts, E.C.
Title Plasma-induced destruction of bacterial cell wall components : a reactive molecular dynamics simulation Type A1 Journal article
Year 2013 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 117 Issue 11 Pages 5993-5998
Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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.
Address
Corporate Author Thesis (up)
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000316773000056 Publication Date 2013-02-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.536 Times cited 59 Open Access
Notes Approved Most recent IF: 4.536; 2013 IF: 4.835
Call Number UA @ lucian @ c:irua:107154 Serial 2636
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