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Author Milovanović, S.P.; Masir, M.R.; Peeters, F.M.
Title Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 105 Issue (up) 12 Pages 123507
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.
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Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000343004400090 Publication Date 2014-09-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 18 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:121119 Serial 1704
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Author Ang, F.; Van Passel, S.
Title The sustainable value approach : a clarifying and constructive comment Type A1 Journal article
Year 2010 Publication Ecological Economics Abbreviated Journal Ecol Econ
Volume 69 Issue (up) 12 Pages 2303-2306
Keywords A1 Journal article; Economics
Abstract Recently, the original benchmarking methodology of the Sustainable Value approach became subjected to serious debate. While Kuosmanen and Kuosmanen (2009b) critically question its validity introducing productive efficiency theory, Figge and Hahn (2009) put forward that the implementation of productive efficiency theory severely conflicts with the original financial economics perspective of the Sustainable Value approach. We argue that the debate is very confusing because the original Sustainable Value approach presents two largely incompatible objectives. Nevertheless, we maintain that both ways of benchmarking could provide useful and moreover complementary insights. If one intends to present the overall resource efficiency of the firm from the investor's viewpoint, we recommend the original benchmarking methodology. If one on the other hand aspires to create a prescriptive tool setting up some sort of reallocation scheme, we advocate implementation of the productive efficiency theory. Although the discussion on benchmark application is certainly substantial, we should avoid the debate to become accordingly narrowed. Next to the benchmark concern, we see several other challenges considering the development of the Sustainable Value approach: (1) a more systematic resource selection, (2) the inclusion of the value chain and (3) additional analyses related to policy in order to increase interpretative power.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000283700900001 Publication Date 2010-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-8009; 1873-6106 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 2.965; 2010 IF: 2.754
Call Number UA @ admin @ c:irua:136760 Serial 6258
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Author Bacaksiz, C.; Šabani, D.; Menezes, R.M.; Milošević, M.V.
Title Distinctive magnetic properties of CrI3 and CrBr3 monolayers caused by spin-orbit coupling Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 103 Issue (up) 12 Pages 125418
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract After the discovery of magnetism in monolayer CrI3, the magnetic properties of different 2D materials from the chromium-trihalide family are intuitively assumed to be similar, yielding magnetic anisotropy from the spin-orbit coupling on halide ligands. Here we reveal significant differences between the CrI3 and CrBr3 magnetic monolayers in their magnetic anisotropy, resulting Curie temperature, hysteresis in external magnetic field, and evolution of magnetism with strain, all predominantly attributed to distinctly different interplay of atomic contributions to spin-orbit coupling in two materials.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000646179300003 Publication Date 2021-03-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 18 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek; Universiteit Antwerpen; Approved Most recent IF: 3.836
Call Number CMT @ cmt @c:irua:177506 Serial 6756
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Author King, G.; Abakumov, A.M.; Hadermann, J.; Alekseeva, A.M.; Rozova, M.G.; Perkisas, T.; Woodward, P.M.; Van Tendeloo, G.; Antipov, E.V.
Title Crystal structure and phase transitions in Sr3WO6 Type A1 Journal article
Year 2010 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 49 Issue (up) 13 Pages 6058-6065
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra.
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Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000279211500036 Publication Date 2010-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 18 Open Access
Notes Approved Most recent IF: 4.857; 2010 IF: 4.326
Call Number UA @ lucian @ c:irua:83877 Serial 562
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Author Pop, N.; Pralong, V.; Caignaert, V.; Colin, J.F.; Malo, S.; Van Tendeloo, G.; Raveau, B.
Title Topotactic transformation of the cationic conductor Li4Mo5O17 into a rock salt type oxide Li12Mo5O17 Type A1 Journal article
Year 2009 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 21 Issue (up) 14 Pages 3242-3250
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Intercalation of lithium in the ribbon structure Li4Mo5O17 has been achieved, using both electrochemistry and soft chemistry. The ab initio structure determination of the ¡°Mo−O¡± framework of Li12Mo5O17 shows that the [Mo5O17]¡Þ ribbons keep the same arrangement of edge sharing MoO6 octahedra and the same orientation as in the parent structure but that a topotactic antidistortion of the ribbons appears, as a result of the larger size of Mo4+ in ¡°Li12¡± compared to Mo6+ in ¡°Li4¡±. On the basis of bond valence calculations, it is observed that 12 octahedral sites are available for Li+ in the new structure so that an ordered hypothetical rock salt type structure can be proposed for Li12Mo5O17. After the first Li insertion, a stable reversible capacity of 100 mA¡¤h/g is maintained after 20 cycles. A complete structural reversibility leading back to the ribbon type Li4Mo5O17 structure is obtained using a very low rate of C/100. The exploration of the Li mobility in those oxides shows that Li4Mo5O17 is a cationic conductor with ¦Ò = 10−3.5 S/cm at 500 ¡ãC and Ea = 0.35 eV.
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Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000268174400032 Publication Date 2009-06-24
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 18 Open Access
Notes Approved Most recent IF: 9.466; 2009 IF: 5.368
Call Number UA @ lucian @ c:irua:78285 Serial 3682
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Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
Title Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 81 Issue (up) 14 Pages 144511,1-144511,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using time-dependent Ginzburg-Landau theory, we study the dynamic properties of a rectangular superconducting loop, which are found to depend on the position of the current leads. For asymmetric positioning of the leads, different kinetic inductance of the two paths for injected electric current leads to different critical conditions in the two branches. System self-regulates by allowing vortex entry, as vortex currents bring equilibration between the two current flows and the conventional resistive state can be realized. We also demonstrate that individual vortex entry in the loop can be detected by measuring the voltage between normal-metal leads, for applied currents comparable in magnitude to the screening currents.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000277210200107 Publication Date 2010-04-21
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 18 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), the ESF-NES program, and the ESF-AQDJJ network. G.R.B. acknowledges support from FWO-Vlaanderen. The authors thank S. Michotte for useful discussions. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:82804 Serial 3901
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Author Jannis, D.; Müller-Caspary, K.; Béché, A.; Oelsner, A.; Verbeeck, J.
Title Spectroscopic coincidence experiments in transmission electron microscopy Type A1 Journal article
Year 2019 Publication Applied physics letters Abbreviated Journal Appl Phys Lett
Volume 114 Issue (up) 14 Pages 143101
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We demonstrate the feasibility of coincidence measurements on a conventional transmission electron microscope, revealing the temporal

correlation between electron energy loss spectroscopy (EELS) and energy dispersive X-ray (EDX) spectroscopy events. We make use of a

delay line detector with ps-range time resolution attached to a modified EELS spectrometer. We demonstrate that coincidence between both

events, related to the excitation and deexcitation of atoms in a crystal, provides added information not present in the individual EELS or

EDX spectra. In particular, the method provides EELS with a significantly suppressed or even removed background, overcoming the many

difficulties with conventional parametric background fitting as it uses no assumptions on the shape of the background, requires no user input

and does not suffer from counting noise originating from the background signal. This is highly attractive, especially when low concentrations

of elements need to be detected in a matrix of other elements.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464450200022 Publication Date 2019-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 18 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G093417 ; Horizon 2020 Framework Programme, 823717 ESTEEM3 ; Helmholtz Association, VH-NG-1327 ; Approved Most recent IF: 3.411
Call Number EMAT @ emat @UA @ admin @ c:irua:159155 Serial 5168
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Author Xu, W.; Peeters, F.M.; Devreese, J.T.
Title Normal and hot electro-phonon resonance effect in a quasi-two-dimensional semiconductor system Type A1 Journal article
Year 1993 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
Volume 5 Issue (up) 15 Pages 2307-2320
Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Abstract The electro-phonon resonance effect is a consequence of a resonant interaction between two electric subbands mediated by an optical phonon. It occurs in a quasi-two-dimensional electron system each time the energy difference between two electric subbands equals the energy of a Lo phonon. We study the influence of this effect on the electron mobility by using the momentum balance equation. The temperature and electron density dependences of the resonances are studied in the linear and non-linear response regimes.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos A1993KX70100004 Publication Date 2002-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.346 Times cited 18 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:102984 Serial 2367
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Author Gordon, I.; Wagner, P.; Das, A.; Vanacken, J.; Moshchalkov, V.V.; Bruynseraede, Y.; Schuddinck, W.; Van Tendeloo, G.; Ziese, M.; Borghs, G.
Title Comparative Hall studies in the electron- and hole-doped manganites La0.33Ca0.67MnO3 and La0.70Ca0.30MnO3 Type A1 Journal article
Year 2000 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 62 Issue (up) 17 Pages 11633-11638
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000165201900064 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; 2000 IF: NA
Call Number UA @ lucian @ c:irua:54734 Serial 417
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Author Verlackt, C.C.W.; Neyts, E.C.; Jacob, T.; Fantauzzi, D.; Golkaram, M.; Shin, Y.-K.; van Duin, A.C.T.; Bogaerts, A.
Title Atomic-scale insight into the interactions between hydroxyl radicals and DNA in solution using the ReaxFF reactive force field Type A1 Journal article
Year 2015 Publication New journal of physics Abbreviated Journal New J Phys
Volume 17 Issue (up) 17 Pages 103005
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Cold atmospheric pressure plasmas have proven to provide an alternative treatment of cancer by targeting tumorous cells while leaving their healthy counterparts unharmed. However, the underlying mechanisms of the plasma–cell interactions are not yet fully understood. Reactive oxygen species, and in particular hydroxyl radicals (OH), are known to play a crucial role in plasma driven apoptosis of

malignant cells. In this paper we investigate the interaction of OH radicals, as well as H2O2 molecules and HO2 radicals, with DNA by means of reactive molecular dynamics simulations using the ReaxFF force field. Our results provide atomic-scale insight into the dynamics of oxidative stress on DNA caused by the OH radicals, while H2O2 molecules appear not reactive within the considered timescale. Among the observed processes are the formation of 8-OH-adduct radicals, forming the first stages towards the formation of 8-oxoGua and 8-oxoAde, H-abstraction reactions of the amines, and the partial opening of loose DNA ends in aqueous solution.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000367328100001 Publication Date 2015-10-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited 18 Open Access
Notes CCWV,ECN and AB acknowledge the contribution of J Van Beeck who is investigating the interaction between H2O2 andDNAusingrMDsimulations. Furthermore, they acknowledge financial support from the Fund for Scientific Research—Flanders (project number G012413N). The calculations were performed using the Turing HPCinfrastructure 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. TJ and DF gratefully acknowledge support from the European Research Council through the ERC-Starting GrantTHEOFUN(Grant Agreement No. 259608). Approved Most recent IF: 3.786; 2015 IF: 3.558
Call Number c:irua:129178 Serial 3955
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Author Zhang, S.H.; Xu, W.; Peeters, F.M.; Badalyan, S.M.
Title Electron energy and temperature relaxation in graphene on a piezoelectric substrate Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue (up) 19 Pages 195409
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We study the energy and temperature relaxation of electrons in graphene on a piezoelectric substrate. Scattering from the combined potential of extrinsic piezoelectric surface acoustical (PA) phonons of the substrate and intrinsic deformation acoustical phonons of graphene is considered for a (non) degenerate gas of Dirac fermions. It is shown that in the regime of low energies or temperatures the PA phonons dominate the relaxation and change qualitatively its character. This prediction is relevant for quantum metrology and electronic applications using graphene devices and suggests an experimental setup for probing electron-phonon coupling in graphene.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000336000400008 Publication Date 2014-05-09
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 18 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program of the Flemish government. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:117675 Serial 928
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Author Lin, N.S.; Misko, V.R.; Peeters, F.M.
Title Unconventional vortex dynamics in mesoscopic superconducting corbino disks Type A1 Journal article
Year 2009 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 102 Issue (up) 19 Pages 197003,1-197003,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The discrete shell structure of vortex matter strongly influences the flux dynamics in mesoscopic superconducting Corbino disks. While the dynamical behavior is well understood in large and in very small disks, in the intermediate-size regime it occurs to be much more complex and unusual, due to (in)commensurability between the vortex shells. We demonstrate unconventional vortex dynamics (inversion of shell velocities with respect to the gradient driving force) and angular melting (propagating from the boundary where the shear stress is minimum, towards the center) in mesoscopic Corbino disks.
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Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000266207700063 Publication Date 2009-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 18 Open Access
Notes Approved Most recent IF: 8.462; 2009 IF: 7.328
Call Number UA @ lucian @ c:irua:77396 Serial 3800
Permanent link to this record
 
 
Author Anaf, W.; Trashin, S.; Schalm, O.; van Dorp, D.; Janssens, K.; De Wael, K.
Title Electrochemical photodegradation study of semiconductor pigments : influence of environmental parameters Type A1 Journal article
Year 2014 Publication Analytical chemistry Abbreviated Journal Anal Chem
Volume 86 Issue (up) 19 Pages 9742-9748
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract Chemical transformations in paintings often induce discolorations, disturbing the appearance of the image. For an appropriate conservation of such valuable and irreplaceable heritage objects, it is important to have a good know-how on the degradation processes of the (historical) materials: which pigments have been discolored, what are the responsible processes, and which (environmental) conditions have the highest impact on the pigment degradation and should be mitigated. Pigment degradation is already widely studied, either by analyzing historical samples or by accelerated weathering experiments on dummies. However, in historic samples several processes may have taken place, increasing the complexity of the current state, while aging experiments are time-consuming due to the often extended aging period. An alternative method is proposed for a fast monitoring of degradation processes of semiconductor pigments, using an electrochemical setup mimicking the real environment and allowing the identification of harmful environmental parameters for each pigment. Examples are given for the pigments cadmium yellow (CdS) and vermilion (α-HgS).
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343017100058 Publication Date 2014-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 6.32; 2014 IF: 5.636
Call Number UA @ admin @ c:irua:118834 Serial 5593
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Author Borovinskaya, O.; Aghaei, M.; Flamigni, L.; Hattendorf, B.; Tanner, M.; Bogaerts, A.; Günther, D.
Title Diffusion- and velocity-driven spatial separation of analytes from single droplets entering an ICP off-axis Type A1 Journal article
Year 2014 Publication Journal of analytical atomic spectrometry Abbreviated Journal J Anal Atom Spectrom
Volume 29 Issue (up) 2 Pages 262-271
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The reproducible temporal separation of ion signals generated from a single multi-element droplet, observed in previous studies, was investigated in detail in this work using an ICPTOFMS with high temporal resolution. It was shown that the signal peak intensities of individual elements temporally shift relative to each other only for droplets moving through the plasma off-axis. The magnitude of these shifts correlated with the vaporization temperatures of the analytes and depended on the radial position of the droplets as well as on the thermal properties and velocity profiles of the carrier gases of the ICP. The occurrence of the signal shifting was explained by a spatial separation of analytes already present in the vapor phase in the ICP from a yet unvaporized residue of the droplet. This separation is most likely driven by anisotropic diffusion of vaporized analytes towards the plasma axis and a radial velocity gradient. The proposed explanation is supported by modeling of the gas velocities inside the ICP and imaging of the atomic and ionic emissions produced from single droplets, whose patterns were sloping towards the center of the torch. The effects observed in these studies are important not only for the fundamental understanding of analyteplasma interactions but have also a direct impact on the signal intensities and stability.
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Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000329934000006 Publication Date 2013-11-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0267-9477;1364-5544; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.379 Times cited 18 Open Access
Notes Approved Most recent IF: 3.379; 2014 IF: 3.466
Call Number UA @ lucian @ c:irua:112897 Serial 697
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Author Abakumov, A.M.; Rossell, M.D.; Alekseeva, A.M.; Vassiliev, S.Y.; Mudrezova, S.N.; Van Tendeloo, G.; Antipov, E.V.
Title Phase transitions in K3AlF6 Type A1 Journal article
Year 2006 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem
Volume 179 Issue (up) 2 Pages 421-428
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000235282400011 Publication Date 2005-12-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.299 Times cited 18 Open Access
Notes Approved Most recent IF: 2.299; 2006 IF: 2.107
Call Number UA @ lucian @ c:irua:56561 Serial 2597
Permanent link to this record
 
 
Author Martin, J.M.L.; Francois; Gijbels, R.
Title The anharmonic-force field of thioformaldehyde, h2cs, by ab-initio methods Type A1 Journal article
Year 1994 Publication Journal of molecular spectroscopy Abbreviated Journal J Mol Spectrosc
Volume 168 Issue (up) 2 Pages 363-373
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The quartic force field of thioformaldehyde has been calculated ab initio using large basis sets and augmented coupled cluster methods. Calculated fundamentals are in excellent agreement with experiment, as is the most important Coriolis coupling constant. Computed values for the anharmonicity, rovibrational coupling, and centrifugal distortion constants of the four isotopomers (H2CS)-S-32, (H2CS)-S-34, (HDCS)-S-32, and (D2CS)-S-32 have been reported. Predictions have been made for all vibrational transitions from the ground state to excited states with at most two quanta for these isotopomers, both using second-order perturbation theory corrected for Darling-Dennison resonance and using vibrational SCF-CI calculations. For (D2CS)-S-32, perturbation theory performs quite well; for the other isotopomers, performance is poorer for states involving excitation of the out-of-plane bend and, for the (H2CS)-S-32 and (H2CS)-S-34 isotopomers, also for the antisymmetric bend that is in severe Coriolis resonance with it. A possible explanation has been suggested. (C) 1994 Academic Press, Inc.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos A1994PU60800015 Publication Date 2002-10-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2852; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.482 Times cited 18 Open Access
Notes Approved PHYSICS, APPLIED 47/145 Q2 #
Call Number UA @ lucian @ c:irua:95414 Serial 3570
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Author Crippa, F.; Rodriguez-Lorenzo, L.; Hua, X.; Goris, B.; Bals, S.; Garitaonandia, J.S.; Balog, S.; Burnand, D.; Hirt, A.M.; Haeni, L.; Lattuada, M.; Rothen-Rutishauser, B.; Petri-Fink, A.
Title Phase transformation of superparamagnetic iron oxide nanoparticles via thermal annealing : implications for hyperthermia applications Type A1 Journal article
Year 2019 Publication ACS applied nano materials Abbreviated Journal
Volume 2 Issue (up) 2 Pages 4462-4470
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Magnetic hyperthermia has the potential to play an important role in cancer therapy and its efficacy relies on the nanomaterials selected. Superparamagnetic iron oxide nanoparticles (SPIONs) are excellent candidates due to the ability of producing enough heat to kill tumor cells by thermal ablation. However, their heating properties depend strongly on crystalline structure and size, which may not be controlled and tuned during the synthetic process; therefore, a postprocessing is needed. We show how thermal annealing can be simultaneously coupled with ligand exchange to stabilize the SPIONs in polar solvents and to modify their crystal structure, which improves hyperthermia behavior. Using high-resolution transmission electron microscopy, X-ray diffraction, Mossbauer spectroscopy, vibrating sample magnetometry, and lock-in thermography, we systematically investigate the impact of size and ligand exchange procedure on crystallinity, their magnetism, and heating ability. We describe a valid and simple approach to optimize SPIONs for hyperthermia by carefully controlling the size, colloidal stability, and crystallinity.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000477917700048 Publication Date 2019-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 18 Open Access Not_Open_Access
Notes ; This work was supported by the Swiss National Science Foundation through the National Center of Competence in Research Bio-Inspired Materials, the Adolphe Merkle Foundation, the University of Fribourg, and the European Society for Molecular Imaging (Grant E141200643). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161927 Serial 5393
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Author Van Meensel, J.; Lauwers, L.; Van Huylenbroeck, G.; Van Passel, S.
Title Comparing frontier methods for economic-environmental trade-off analysis Type A1 Journal article
Year 2010 Publication European Journal Of Operational Research Abbreviated Journal Eur J Oper Res
Volume 207 Issue (up) 2 Pages 1027-1040
Keywords A1 Journal article; Economics
Abstract This paper uses a mechanistic frontier approach as a reference to evaluate the ability of conventional parametric (SFA) and non-parametric (DEA) frontier approaches for analyzing economicenvironmental trade-offs. Conventional frontier approaches are environmentally adjusted through incorporating the materials balance principle. The analysis is worked out for the Flemish pig finishing case, which is both representative and didactic. Results show that, on average, SFA and DEA yield adequate economicenvironmental trade-offs. Both methods are good estimators for technical efficiency. Cost allocative and environmental allocative efficiency scores are less robust, due to the well-known methodological advantages and disadvantages of SFA and DEA. For particular firms, SFA, DEA and the mechanistic approach may yield different economicenvironmental trade-offs. One has therefore to be careful when using conventional frontier approaches for firm-specific decision support. The mechanistic approach allows for optimizing performances per average present finisher, which is the production unit in pig finishing. Conventional frontier methods do not allow for this optimization since the number of average present finishers varies along the production functions. Since the mechanistic production function is based on underlying growth, feed uptake and mortality functions, additional firm-specific indicators can also be calculated at each point of the production function.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281107200045 Publication Date 2010-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0377-2217 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.297 Times cited 18 Open Access
Notes ; This research is funded by the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Vlaanderen). ; Approved Most recent IF: 3.297; 2010 IF: 2.159
Call Number UA @ admin @ c:irua:136761 Serial 6171
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Author Li, Z.; Covaci, L.; Marsiglio, F.
Title Impact of Dresselhaus versus Rashba spin-orbit coupling on the Holstein polaron Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue (up) 20 Pages 205112-205112,5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We utilize an exact variational numerical procedure to calculate the ground-state properties of a polaron in the presence of Rashba and linear Dresselhaus spin-orbit coupling. We find that when the linear Dresselhaus spin-orbit coupling approaches the Rashba spin-orbit coupling, the Van Hove singularity in the density of states will be shifted away from the bottom of the band and finally disappear when the two spin-orbit couplings are tuned to be equal. The effective mass will be suppressed; the trend will become more significant for low phonon frequency. The presence of two dominant spin-orbit couplings will make it possible to tune the effective mass with more varied observables.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000303794900003 Publication Date 2012-05-09
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 18 Open Access
Notes ; This work was supported in part by the Natural Sciences and Engineering Research Council of Canada (NSERC), by ICORE (Alberta), by the Flemish Science Foundation (FWO-Vl), and by the Canadian Institute for Advanced Research (CIfAR). ; Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:99121 Serial 1558
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Author Zhang, L.-F.; Covaci, L.; Milošević, M.V.
Title Topological phase transitions in small mesoscopic chiral p-wave superconductors Type A1 Journal article
Year 2017 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 96 Issue (up) 22 Pages 224512
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('Spin-triplet chiral p-wave superconductivity is typically described by a two-component order parameter, and as such is prone to unique emergent effects when compared to the standard single-component superconductors. Here we present the equilibrium phase diagram for small mesoscopic chiral p-wave superconducting disks in the presence of magnetic field, obtained by solving the microscopic Bogoliubov-de Gennes equations self-consistently. In the ultrasmall limit, the cylindrically symmetric giant-vortex states form the ground state of the system. However, with increasing sample size, the cylindrical symmetry is broken as the two components of the order parameter segregate into domains, and the number of fragmented domain walls between them characterizes the resulting states. Such domain walls are topological defects unique for the p-wave order, and constitute a dominant phase in the mesoscopic regime. Moreover, we find two possible types of domain walls, identified by their chirality-dependent interaction with the edge states.'));
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication New York, N.Y Editor
Language Wos 000418653500012 Publication Date 2017-12-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.836 Times cited 18 Open Access
Notes ; This work was supported by the Research Foundation Flanders (FWO-Vlaanderen) and the Special Research Funds of the University of Antwerp. ; Approved Most recent IF: 3.836
Call Number UA @ lucian @ c:irua:148504 Serial 4901
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Author Li, L.L.; Xu, W.; Peeters, F.M.
Title Intrinsic optical anisotropy of [001]-grown short-period InAs/GaSb superlattices Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue (up) 23 Pages 235422-235422,10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We theoretically investigate the intrinsic optical anisotropy or polarization induced by the microscopic interface asymmetry (MIA) in no-common-atom (NCA) InAs/GaSb superlattices (SLs) grown along the [001] direction. The eight-band K⋅P model is used to calculate the electronic band structures and incorporates the MIA effect. A Boltzmann equation approach is employed to calculate the optical properties. We found that in NCA InAs/GaSb SLs, the MIA effect causes a large in-plane optical anisotropy for linearly polarized light and the largest anisotropy occurs for light polarized along the [110] and [11̅ 0] directions. The relative difference between the optical-absorption coefficient for [110]-polarized light and that for [11̅ 0]-polarized light is found to be larger than 50%. The dependence of the in-plane optical anisotropy on temperature, photoexcited carrier density, and layer width is examined in detail. This study is important for optical devices which require the polarization control and selectivity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000286768800007 Publication Date 2010-12-13
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 18 Open Access
Notes ; This work was supported partly by the Flemish Science Foundation (FWO-VL), the Belgium Science Policy (IAP), the NSF of China (Grants No. 10664006, No. 10504036, and No. 90503005), Special Funds of 973 Project of China (Grant No. 2005CB623603), and Knowledge Innovation Program of the Chinese Academy of Sciences. ; Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:88909 Serial 1717
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Author Conti, S.; Perali, A.; Peeters, F.M.; Neilson, D.
Title Multicomponent electron-hole superfluidity and the BCS-BEC crossover in double bilayer graphene Type A1 Journal article
Year 2017 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 119 Issue (up) 25 Pages 257002
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract <script type='text/javascript'>document.write(unpmarked('Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier densities and the tunable energy band gap Eg. For small band gaps there is a significant boost in the two superfluid gaps, but the interaction-driven excitations from the valence to the conduction band can weaken the superfluidity, even blocking the system from entering the Bose-Einstein condensate (BEC) regime at low densities. At a given larger density, a band gap E-g similar to 80-120 meV can carry the system into the strong-pairing multiband BCS-BEC crossover regime, the optimal range for realization of high-Tc superfluidity.'));
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000418619100017 Publication Date 2017-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-9007 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.462 Times cited 18 Open Access
Notes ; We thank Mohammad Zarenia for useful discussions. Part of this work was supported by FWO-VI (Flemish Science Foundation) and the Methusalem program. ; Approved Most recent IF: 8.462
Call Number UA @ lucian @ c:irua:148509 Serial 4885
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Author Brault, P.; Neyts, E.C.
Title Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering Type A1 Journal article
Year 2015 Publication Catalysis today Abbreviated Journal Catal Today
Volume 256 Issue (up) 256 Pages 3-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Magnetron sputtering is a widely used physical vapor deposition technique for deposition and formation of nanocatalyst thin films and clusters. Nevertheless, so far only few studies investigated this formation process at the fundamental level. We here review atomic scale molecular dynamics simulations aimed at elucidating the nanocatalyst growth process through magnetron sputtering. We first introduce the basic magnetron sputtering background and machinery of molecular dynamics simulations, and then describe the studies conducted in this field so far. We also present a perspective view on how the field may be developed further.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000360085300002 Publication Date 2015-02-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.636 Times cited 18 Open Access
Notes Approved Most recent IF: 4.636; 2015 IF: 3.893
Call Number c:irua:127408 Serial 2174
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Author Tennyson, J.; Rahimi, S.; Hill, C.; Tse, L.; Vibhakar, A.; Akello-Egwel, D.; Brown, D.B.; Dzarasova, A.; Hamilton, J.R.; Jaksch, D.; Mohr, S.; Wren-Little, K.; Bruckmeier, J.; Agarwal, A.; Bartschat, K.; Bogaerts, A.; Booth, J.-P.; Goeckner, M.J.; Hassouni, K.; Itikawa, Y.; Braams, B.J.; Krishnakumar, E.; Laricchiuta, A.; Mason, N.J.; Pandey, S.; Petrovic, Z.L.; Pu, Y.-K.; Ranjan, A.; Rauf, S.; Schulze, J.; Turner, M.M.; Ventzek, P.; Whitehead, J.C.; Yoon, J.-S.
Title QDB: a new database of plasma chemistries and reactions Type A1 Journal article
Year 2017 Publication Plasma sources science and technology Abbreviated Journal Plasma Sources Sci T
Volume 26 Issue (up) 26 Pages 055014
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract One of the most challenging and recurring problems when modeling plasmas is the lack of data on the key atomic and molecular reactions that drive plasma processes. Even when there are data for some reactions, complete and validated datasets of chemistries are rarely available. This hinders research on plasma processes and curbs development of industrial applications. The QDB project aims to address this problem by providing a platform for provision, exchange, and validation of chemistry datasets. A new data model developed for QDB is presented. QDB collates published data on both electron scattering and heavy-particle reactions. These data are formed into reaction sets, which are then validated against experimental data where possible. This process produces both complete chemistry sets and identifies key reactions that are currently unreported in the literature. Gaps in the datasets can be filled using established theoretical methods. Initial validated chemistry sets for SF6/CF4/O2 and SF6/CF4/N2/H2 are presented as examples.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000398394500001 Publication Date 2017-04-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.302 Times cited 18 Open Access OpenAccess
Notes Approved Most recent IF: 3.302
Call Number PLASMANT @ plasmant @ c:irua:142206 Serial 4549
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Author Wang, Y.; Sentosun, K.; Li, A.; Coronado-Puchau, M.; Sánchez-Iglesias, A.; Li, S.; Su, X.; Bals, S.; Liz-Marzán, L.M.
Title Engineering Structural Diversity in Gold Nanocrystals by Ligand-Mediated Interface Control Type A1 Journal article
Year 2015 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 27 Issue (up) 27 Pages 8032-8040
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Surface and interface control is fundamentally important for crystal growth engineering, catalysis, surface enhanced spectroscopies, and self-assembly, among other processes and applications. Understanding the role of ligands in regulating surface properties of plasmonic metal nanocrystals during growth has received considerable attention. However, the underlying mechanisms and the diverse functionalities of ligands are yet to be fully addressed. In this contribution,

we report a systematic study of ligand-mediated interface control in seeded growth of gold nanocrystals, leading to diverse and exotic nanostructures with an improved surface enhanced Raman scattering (SERS) activity. Three dimensional transmission electron microscopy (3D TEM) revealed an intriguing gold shell growth process mediated by the bifunctional ligand 1,4-benzenedithiol (BDT), which leads to a unique crystal growth mechanism as compared to other ligands, and subsequently to the concept of interfacial energy control mechanism. Volmer-Weber growth mode was proposed to be responsible for BDT-mediated seeded growth, favoring the strongest interfacial energy and generating an asymmetric island growth pathway with internal crevices/gaps. This additionally favors incorporation of BDT at the plasmonic nanogaps, thereby generating strong SERS activity with a maximum efficiency for a core-semishell configuration obtained along seeded growth. Numerical modeling was used to explain this observation. Interestingly, the same strategy can be used to engineer the structural diversity of this system, by using gold nanoparticle seeds with various sizes and shapes, and varying the [Au3+]/[Au0] ratio. This rendered a series of diverse and exotic plasmonic nanohybrids such as semishell-coated gold nanorods, with embedded Raman-active tags and Janus surface with distinct surface functionalities.

These would greatly enrich the plasmonic nanostructure toolbox for various studies and applications such as anisotropic nanocrystal engineering, SERS, and high-resolution Raman bioimaging or nanoantenna devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000366223200023 Publication Date 2015-10-09
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 18 Open Access OpenAccess
Notes The authors thank Bart Goris for his help with electron tomography. This work was funded by the European Commission (Grant #310445-2, SAVVY). The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 267867- PLASMAQUO, ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). Wang Y. and Su X. would like to acknowledge the Agency for Science, Technology and Research (A*STAR), Singapore, for the financial support under the Grant JCO 14302FG096. M. C.-P. acknowledges an FPU scholarship from the Spanish Ministry of Education, Culture and Sports.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:129598 c:irua:129598 Serial 3972
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Author Obeid, M.M.; Stampfl, C.; Bafekry, A.; Guan, Z.; Jappor, H.R.; Nguyen, C., V; Naseri, M.; Hoat, D.M.; Hieu, N.N.; Krauklis, A.E.; Tuan V Vu; Gogova, D.
Title First-principles investigation of nonmetal doped single-layer BiOBr as a potential photocatalyst with a low recombination rate Type A1 Journal article
Year 2020 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
Volume 22 Issue (up) 27 Pages 15354-15364
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Nonmetal doping is an effective approach to modify the electronic band structure and enhance the photocatalytic performance of bismuth oxyhalides. Using density functional theory, we systematically examine the fundamental properties of single-layer BiOBr doped with boron (B) and phosphorus (P) atoms. The stability of the doped models is investigated based on the formation energies, where the substitutional doping is found to be energetically more stable under O-rich conditions than under Bi-rich ones. The results showed that substitutional doping of P atoms reduced the bandgap of pristine BiOBr to a greater extent than that of boron substitution. The calculation of the effective masses reveals that B doping can render the electrons and holes of pristine BiOBr lighter and heavier, respectively, resulting in a slower recombination rate of photoexcited electron-hole pairs. Based on the results of HOMO-LUMO calculations, the introduction of B atoms tends to increase the number of photocatalytically active sites. The top of the valence band and the conduction band bottom of the B doped BiOBr monolayer match well with the water redox potentials in an acidic environment. The absorption spectra propose that B(P) doping causes a red-shift. Overall, the results predict that nonmetal-doped BiOBr monolayers have a reduced bandgap, a slow recombination rate, more catalytically active sites, enhanced optical absorption edges, and reduced work functions, which will contribute to superior photocatalytic performance.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000549894000018 Publication Date 2020-06-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 18 Open Access
Notes ; This work was partially supported by the financial support from the Natural Science Foundation of China (Grant No. 11904203) and the Fundamental Research Funds of Shandong University (Grant No. 2019GN065). ; Approved Most recent IF: 3.3; 2020 IF: 4.123
Call Number UA @ admin @ c:irua:171235 Serial 6522
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Author Arenas-Vivo, A.; Rojas, S.; Ocaña, I.; Torres, A.; Liras, M.; Salles, F.; Arenas-Esteban, D.; Bals, S.; Ávila, D.; Horcajada, P.
Title Ultrafast reproducible synthesis of a Ag-nanocluster@MOF composite and its superior visible-photocatalytic activity in batch and in continuous flow Type A1 Journal article
Year 2021 Publication Journal Of Materials Chemistry A Abbreviated Journal J Mater Chem A
Volume 9 Issue (up) 28 Pages 15704-15713
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The (photo)catalytic properties of metal–organic frameworks (MOFs) can be enhanced by post-synthetic inclusion of metallic species in their porosity. Due to their extraordinarily high surface area and well defined porous structure, MOFs can be used for the stabilization of metal nanoparticles with adjustable size within their porosity. Originally, we present here an optimized ultrafast photoreduction protocol for the<italic>in situ</italic>synthesis of tiny and monodisperse silver nanoclusters (AgNCs) homogeneously supported on a photoactive porous titanium carboxylate MIL-125-NH<sub>2</sub>MOF. The strong metal–framework interaction between –NH<sub>2</sub>and Ag atoms influences the AgNC growth, leading to the surfactant-free efficient catalyst AgNC@MIL-125-NH<sub>2</sub>with improved visible light absorption. The potential use of AgNC@MIL-125-NH<sub>2</sub>was further tested in challenging applications: (i) the photodegradation of the emerging organic contaminants (EOCs) methylene blue (MB-dye) and sulfamethazine (SMT-antibiotic) in water treatment, and (ii) the catalytic hydrogenation of<italic>p</italic>-nitroaniline (4-NA) to<italic>p</italic>-phenylenediamine (PPD) with industrial interest. It is noteworthy that compared with the pristine MIL-125-NH<sub>2</sub>, the composite presents an improved catalytic activity and stability, being able to photodegrade 92% of MB in 60 min and 96% of SMT in 30 min, and transform 100% of 4-NA to PPD in 30 min. Aside from these very good results, this study describes for the first time the use of a MOF in a visible light continuous flow reactor for wastewater treatment. With only 10 mg of AgNC@MIL-125-NH<sub>2</sub>, high SMT removal efficiency over 70% is maintained after >2 h under water flow conditions found in real wastewater treatment plants, signaling a future real application of MOFs in water remediation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000671839200001 Publication Date 2021-06-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2050-7488 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.867 Times cited 18 Open Access OpenAccess
Notes Comunidad de Madrid, CAM PEJD-2016/IND-2828 Talento Modality 2, 2017-T2/IND-5149 ; Secretaría de Estado de Investigación, Desarrollo e Innovación, Raphuel project (ENE2016-79608-C2-1-R) Retos Project MAT2017-84385-R ; Ministerio de Ciencia e Innovación, Juan de la Cierva Incorporación Fellowship (grant agreement no. IJC2019-038894-I) MOFSEIDON project (PID2019-104228RB-I00) Ramón y Cajal, Grant Agreements 2014-15039 and 2015-18677 ; Fundación BBVA, IN[17]CBBQUI_0197 ; H2020 European Research Council, ERC Consolidator Grant REALNANO 815128 Grant Agreement no. 731019 (EUSMI) ; sygmaSB; Approved Most recent IF: 8.867
Call Number EMAT @ emat @c:irua:179791 Serial 6802
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Author Nagy, N.V.; Van Doorslaer, S.; Szabó-Plánka, T.; Van Rompaey, S.; Hamza, A.; Fülöp, F.; Tóth, G.K.; Rockenbauer, A.
Title Copper(II)-binding ability of stereoisomeric cis- and trans-2-aminocyclohexanecarboxylic acidl-phenylalanine dipeptides : a combined CW/pulsed EPR and DFT study Type A1 Journal article
Year 2012 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 51 Issue (up) 3 Pages 1386-1399
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract With the aim of an improved understanding of the metal-complexation properties of alicyclic β-amino acid stereoisomers, and their peptides, the complex equilibria and modes of coordination with copper(II) of l-phenylalanine (F) derivatives of cis/trans-2-aminocyclohexanecarboxylic acid (c/tACHC), i.e. the dipeptides F-c/tACHC and c/tACHC-F, were investigated by a combination of CW and pulsed EPR methods. For the interpretation of the experimental data, DFT quantum-chemical calculations were carried out. Simulation of a pH-dependent series of room-temperature CW-EPR spectra revealed the presence of EPR-active complexes ([Cu(aqua)]2+, [CuL]+, [CuLH1], [CuLH2]−, and [CuL2H1]−), and an EPR-inactive species ([Cu2L2H3]−) in aqueous solutions for all studied cases. [CuLH]2+ was included in the equilibrium model for the c/tACHC-Fcopper(II) systems, and [CuL2], together with two coordination isomers of [CuL2H1]−, were also identified in the F-tACHCcopper(II) system. Comparison of the complexation properties of the diastereomeric ligand pair F-(1S,2R)-ACHC and F-(1R,2S)-ACHC did not reveal significant differences. Considerably lower formation constants were obtained for the trans than for the cis isomers for both the F-c/tACHC and the c/tACHC-F pairs in the case of [CuLH1] involving tridentate coordination by the amino, the deprotonated peptide, and the carboxylate groups. A detailed structural analysis by pulsed EPR methods and DFT calculations indicated that there was no significant destabilization for the complexes of the trans isomers. The lower stability of their complexes was explained by the limitation that only the conformer with donor groups in equatorialequatorial ring positions can bind to copper(II), whereas both equatorial-axial conformers of the cis isomers are capable of binding. From a consideration of the proton couplings obtained with X-band 1H HYSCORE, 2H exchange experiments, and DFT, the thermodynamically most stable cyclohexane ring conformer was assigned for all four [CuLH1] complexes. For the F-cACHC case, the conformer did not match the most stable conformer of the free ligand.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000300474700029 Publication Date 2012-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 18 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:96729 Serial 515
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Author Baguer, N.; Bogaerts, A.
Title Study of the sputtered Cu atoms and Cu+ ions in a hollow cathode glow discharge using a hybrid model Type A1 Journal article
Year 2005 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 98 Issue (up) 3 Pages 033303,1-033303,11
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The role of the Cu atoms sputtered from the cathode material in a cylindrical hollow cathode discharge (HCD) and the corresponding Cu+ ions are studied with a self-consistent model based on the principle of Monte Carlo (MC) and fluid simulations. In order to obtain a more realistic view of the discharge processes, this model is coupled with other submodels, which describe the behavior of electrons, fast Ar atoms, Ar+ ions, and Ar metastable atoms, also based on the principles of MC and fluid simulations. Typical results are, among others, the thermalization profile of the Cu atoms, the fast Cu atom, the thermal Cu atom and Cu+ ion fluxes and densities, and the energy distribution of the Cu+ ions. It was found that the contribution of the Ar+ ions to the sputtering was the most significant, followed by the fast Ar atoms. At the cathode bottom, there was no net sputtered flux but a net amount of redeposition. Throughout the discharge volume, at all the conditions investigated, the largest concentration of Cu atoms was found in the lower half of the HCD, close to the bottom. Penning ionization was found the main ionization mechanism for the Cu atoms. The ionization degree of copper atoms was found to be in the same order as for the argon atoms (10-4). (c) 2005 American Institute of Physics.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000231246100007 Publication Date 2005-08-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 18 Open Access
Notes Approved Most recent IF: 2.068; 2005 IF: 2.498
Call Number UA @ lucian @ c:irua:54597 Serial 3340
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Author Leusink, D.P.; Coneri, F.; Hoek, M.; Turner, S.; Idrissi, H.; Van Tendeloo, G.; Hilgenkamp, H.
Title Thin films of the spin ice compound Ho2Ti2O7 Type A1 Journal article
Year 2014 Publication APL materials Abbreviated Journal Apl Mater
Volume 2 Issue (up) 3 Pages 032101-32107
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The pyrochlore compounds Ho2Ti2O7 and Dy2Ti2O7 show an exotic form of magnetism called the spin ice state, resulting from the interplay between geometrical frustration and ferromagnetic coupling. A fascinating feature of this state is the appearance of magnetic monopoles as emergent excitations above the degenerate ground state. Over the past years, strong effort has been devoted to the investigation of these monopoles and other properties of the spin ice state in bulk crystals. Here, we report the fabrication of Ho2Ti2O7 thin films using pulsed laser deposition on yttria-stabilized ZrO2 substrates. We investigated the structural properties of these films by X-ray diffraction, scanning transmission electron microscopy, and atomic force microscopy, and the magnetic properties by vibrating sample magnetometry at 2 K. The films not only show a high crystalline quality, but also exhibit the hallmarks of a spin ice: a pronounced magnetic anisotropy and an intermediate plateau in the magnetization along the [111] crystal direction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000334220300002 Publication Date 2014-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2166-532X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.335 Times cited 18 Open Access
Notes The authors acknowledge support from the Dutch FOM and NWO foundations and from the European Union under the Framework 7 program under a contract from an Integrated Infrastructure Initiative (Reference 312483 ESTEEM2). G.V.T. acknowledges the ERC Grant N246791- COUNTATOMS. S.T. gratefully acknowledges financial support from the Fund for Scientific Research Flanders (FWO). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21. The microscope used in this study was partially financed by the Hercules Foundation of the Flemish Government. The authors acknowledge fruitful interactions with A. Brinkman, M. G. Blamire, M. Egilmez, F. J. G. Roesthuis, J. N. Beukers, C. G. Molenaar, M. Veldhorst, and X. Renshaw Wang; esteem2_ta Approved Most recent IF: 4.335; 2014 IF: NA
Call Number UA @ lucian @ c:irua:115555 Serial 3641
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