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Author Volkov, V.V.; Van Tendeloo, G.; Vargaftik, M.N.; Stolyarov, I.P.; Moiseev, I.I.
Title Giant Pd clusters observed by high resolution electron microscopy Type A1 Journal article
Year 1993 Publication Mendeleev communications Abbreviated Journal Mendeleev Commun
Volume Issue (down) 5 Pages 187-188
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The giant cationic palladium clusters, approximate formula Pd561L60(OAc)180 (L = Dipy, Phen), were characterized by electron diffraction and high resolution microscopy to contain an FCC metal core, most of the larger Pd particles (8 nm) exhibiting multiple twinning, evidence for a distorted icosahedral structure.
Address
Corporate Author Thesis
Publisher Place of Publication Cambridge Editor
Language Wos A1993MJ24700001 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0959-9436 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.34 Times cited 10 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:102959 Serial 1340
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Author Sahin, H.; Leenaerts, O.; Singh, S.K.; Peeters, F.M.
Title Graphane Type A1 Journal article
Year 2015 Publication Wiley Interdisciplinary Reviews: Computational Molecular Science Abbreviated Journal Wires Comput Mol Sci
Volume 5 Issue (down) 5 Pages 255-272
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Atomically thin crystals have recently been the focus of attention, in particular, after the synthesis of graphene, a monolayer hexagonal crystal structure of carbon. In this novel material class, the chemically derived graphenes have attracted tremendous interest. It was shown that, although bulk graphite is a chemically inert material, the surface of single layer graphene is rather reactive against individual atoms. So far, synthesis of several graphene derivatives have been reported such as hydrogenated graphene graphane' (CH), fluorographene (CF), and chlorographene (CCl). Moreover, the stability of bromine and iodine covered graphene were predicted using computational tools. Among these derivatives, easy synthesis, insulating electronic behavior and reversibly tunable crystal structure of graphane make this material special for future ultra-thin device applications. This overview surveys structural, electronic, magnetic, vibrational, and mechanical properties of graphane. We also present a detailed overview of research efforts devoted to the computational modeling of graphane and its derivatives. Furthermore recent progress in synthesis techniques and possible applications of graphane are reviewed as well. WIREs Comput Mol Sci 2015, 5:255-272. doi: 10.1002/wcms.1216 For further resources related to this article, please visit the . Conflict of interest: The authors have declared no conflicts of interest for this article.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000352862700001 Publication Date 2015-03-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1759-0876; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 14.016 Times cited 54 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. H. Sahin is supported by a FWO Pegasus Long Marie Curie Fellowship. ; Approved Most recent IF: 14.016; 2015 IF: 11.885
Call Number c:irua:125996 Serial 1366
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Author Chen, Z.; Kong, M.; Milošević, M.V.; Wu, Y.
Title Ground state configurations of two-dimensional plasma crystals under long-range attractive particle interaction force Type A1 Journal article
Year 2003 Publication Physica scripta Abbreviated Journal Phys Scripta
Volume 67 Issue (down) 5 Pages 439
Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Stockholm Editor
Language Wos 000183154800014 Publication Date 2003-07-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.28 Times cited 4 Open Access
Notes Approved Most recent IF: 1.28; 2003 IF: 0.688
Call Number UA @ lucian @ c:irua:57249 Serial 1385
Permanent link to this record
 
 
Author Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
Title Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study Type A1 Journal article
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 89 Issue (down) 5 Pages 054106-54109
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000332420900001 Publication Date 2014-03-05
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 5 Open Access
Notes Fwo; Hercules Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:114910 Serial 1487
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Author Pasquini, L.; Sacchi, M.; Brighi, M.; Boelsma, C.; Bals, S.; Perkisas, T.; Dam, B.
Title Hydride destabilization in core-shell nanoparticles Type A1 Journal article
Year 2014 Publication International journal of hydrogen energy Abbreviated Journal Int J Hydrogen Energ
Volume 39 Issue (down) 5 Pages 2115-2123
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We present a model that describes the effect of elastic constraint on the thermodynamics of hydrogen absorption and desorption in biphasic core-shell nanoparticles, where the core is a hydride forming metal. In particular, the change of the hydride formation enthalpy and of the equilibrium pressure for the metal/hydride transformation are described as a function of nanoparticles radius, shell thickness, and elastic properties of both core and shell. To test the model, the hydrogen sorption isotherms of Mg-MgO core-shell nanoparticles, synthesized by inert gas condensation, were measured by means of optical hydrogenography. The model's predictions are in good agreement with the experimentally determined plateau pressure of hydrogen absorption. The features that a core-shell systems should exhibit in view of practical hydrogen storage applications are discussed with reference to the model and the experimental results. Copyright (C) 2013, Hydrogen Energy Publications, LLC. Published by Elsevier Ltd. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000331344800022 Publication Date 2014-01-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0360-3199; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.582 Times cited 32 Open Access Not_Open_Access
Notes COST Action MP1103 Approved Most recent IF: 3.582; 2014 IF: 3.313
Call Number UA @ lucian @ c:irua:115785 Serial 1528
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Author Malo, S.; Lepoittevin, C.; Pérez, O.; Hébert, S.; Van Tendeloo, G.; Hervieu, M.
Title Incommensurate crystallographic shear structures and magnetic properties of the cation deficient perovskite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29 Type A1 Journal article
Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 22 Issue (down) 5 Pages 1788-1797
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The origin of the incommensurability in the crystallographic shear (CS) structure of the ferri-Manganite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, related to the cation deficient perovskite, has been determined by careful analysis of the boundaries between the two variants constituting the phasoid. High Resolution Electron Microscopy/HAADF-STEM images allow the structural mechanisms to be understood through the presence of structural units common to both phases, responsible of the incommensurate character observed in the electron diffraction patterns. The structural analysis allows for identifying different types of CS phases in the Pb−Sr−Fe(Mn)−O diagram and shows that the stabilization of the six-sided tunnels requires a higher A/B cationic ratio. A description of these phases is proposed through simple structural building units (SBU), based on chains of octahedra bordered by two pyramids. The (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29 CS compound exhibits a strong antiferromagnetic and insulating behavior, similar to the Fe-2201 and terrace ferrites but differs by the presence of a hysteresis, with a small coercive field.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000274929000025 Publication Date 2010-01-19
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 6 Open Access
Notes Esteem 026019 Approved Most recent IF: 9.466; 2010 IF: 6.400
Call Number UA @ lucian @ c:irua:81800 Serial 1593
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Author Arsoski, V.; Tadić, M.; Peeters, F.M.
Title Interband optical properties of concentric type-I nanorings in a normal magnetic field Type A1 Journal article
Year 2010 Publication Acta physica Polonica: A: general physics, solid state physics, applied physics Abbreviated Journal Acta Phys Pol A
Volume 117 Issue (down) 5 Pages 733-737
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Two concentric two-dimensional GaAs/(Al,Ga)As nanorings in a normal magnetic field are theoretically studied. The single-band effective mass approximation is adopted for both the electron and the hole states, and the analytical solutions are given. We find that the electronic single particle states are arranged in pairs, which exhibit anticrossings and the orbital momentum transitions in the energy spectrum when magnetic field increases. Their period is essentially determined by the radius of the outer ring. The oscillator strength for interband transitions is strongly reduced close to each anticrossing. We show that an optical excitonic Aharonov-Bohm effect may occur in concentric nanorings.
Address
Corporate Author Thesis
Publisher Place of Publication Warszawa Editor
Language Wos Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0587-4246 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 0.469 Times cited Open Access
Notes Approved Most recent IF: 0.469; 2010 IF: 0.467
Call Number UA @ lucian @ c:irua:83377 Serial 1690
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Author Tsirlin, A.A.; Abakumov, A.M.; Van Tendeloo, G.; Rosner, H.
Title Interplay of atomic displacement in the quantum magnet (CuCI)LaNb2O7 Type A1 Journal article
Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 82 Issue (down) 5 Pages 054107,1-054107,12
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report on the crystal structure of the quantum magnet CuClLaNb2O7 that was controversially described with respect to its structural organization and magnetic behavior. Using high-resolution synchrotron powder x-ray diffraction, electron diffraction, transmission electron microscopy, and band-structure calculations, we solve the room-temperature structure of this compound -CuClLaNb2O7 and find two high-temperature polymorphs. The -CuClLaNb2O7 phase, stable above 640 K, is tetragonal with asub=3.889 Å, csub =11.738 Å, and the space group P4/mmm. In the -CuClLaNb2O7 structure, the Cu and Cl atoms are randomly displaced from the special positions along the 100 directions. The phase asub2asubcsub, space group Pbmm and the phase 2asub2asubcsub, space group Pbam are stable between 640 K and 500 K and below 500 K, respectively. The structural changes at 500 and 640 K are identified as order-disorder phase transitions. The displacement of the Cl atoms is frozen upon the → transformation while a cooperative tilting of the NbO6 octahedra in the phase further eliminates the disorder of the Cu atoms. The low-temperature -CuClLaNb2O7 structure thus combines the two types of the atomic displacements that interfere due to the bonding between the Cu atoms and the apical oxygens of the NbO6 octahedra. The precise structural information resolves the controversy between the previous computation-based models and provides the long-sought input for understanding CuClLaNb2O7 and related compounds with unusual magnetic properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000280849400001 Publication Date 2010-08-12
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 13 Open Access
Notes Approved Most recent IF: 3.836; 2010 IF: 3.774
Call Number UA @ lucian @ c:irua:83991 Serial 1706
Permanent link to this record
 
 
Author Brammertz, G.; Oueslati, S.; Buffiere, M.; Bekaert, J.; El Anzeery, H.; Messaoud, K.B.; Sahayaraj, S.; Nuytten, T.; Koble, C.; Meuris, M.; Poortmans, J.;
Title Investigation of properties limiting efficiency in Cu2ZnSnSe4-based solar cells Type A1 Journal article
Year 2015 Publication IEEE journal of photovoltaics Abbreviated Journal Ieee J Photovolt
Volume 5 Issue (down) 5 Pages 649-655
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We have investigated different nonidealities in Cu2ZnSnSe4CdSZnO solar cells with 9.7% conversion efficiency, in order to determine what is limiting the efficiency of these devices. Several nonidealities could be observed. A barrier of about 300 meV is present for electron flow at the absorberbuffer heterojunction leading to a strong crossover behavior between dark and illuminated currentvoltage curves. In addition, a barrier of about 130 meV is present at the Moabsorber contact, which could be reduced to 15 meV by inclusion of a TiN interlayer. Admittance spectroscopy results on the devices with the TiN backside contact show a defect level with an activation energy of 170 meV. Using all parameters extracted by the different characterization methods for simulations of the two-diode model including injection and recombination currents, we come to the conclusion that our devices are limited by the large recombination current in the depletion region. Potential fluctuations are present in the devices as well, but they do not seem to have a special degrading effect on the devices, besides a probable reduction in minority carrier lifetime through enhanced recombination through the band tail defects.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000353524800026 Publication Date 2014-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2156-3381;2156-3403; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.712 Times cited 13 Open Access
Notes ; ; Approved Most recent IF: 3.712; 2015 IF: 3.165
Call Number c:irua:123717 Serial 1734
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Author Berdiyorov, G.R.; Milošević, M.V.; Latimer, M.L.; Xiao, Z.L.; Kwok, W.K.; Peeters, F.M.
Title Large magnetoresistance oscillations in mesoscopic superconductors due to current-excited moving vortices Type A1 Journal article
Year 2012 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 109 Issue (down) 5 Pages 057004
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We show in the case of a superconducting Nb ladder that a mesoscopic superconductor typically exhibits magnetoresistance oscillations whose amplitude and temperature dependence are different from those stemming from the Little-Parks effect. We demonstrate that these large resistance oscillations (as well as the monotonic background on which they are superimposed) are due to current-excited moving vortices, where the applied current in competition with the oscillating Meissner currents imposes or removes the barriers for vortex motion in an increasing magnetic field. Because of the ever present current in transport measurements, this effect should be considered in parallel with the Little-Parks effect in low-critical temperature (T-c) samples, as well as with recently proposed thermal activation of dissipative vortex-antivortex pairs in high-T-c samples.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000306994900024 Publication Date 2012-07-31
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 65 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP) (theory) and by the U. S. Department of Energy (DOE) Award No. DE-FG02-06ER46334 (experiment). G. R. B. acknowledges individual grant from FWO-Vl. W. K. K. acknowledges support from DOE BES under Contract No. DE-AC02-06CH11357, which also funds Argonne's Center for Nanoscale Materials (CNM) where the focused-ion-beam milling was performed. ; Approved Most recent IF: 8.462; 2012 IF: 7.943
Call Number UA @ lucian @ c:irua:100832 Serial 1780
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Author Yuan, X.; Yu, W.; Yu, M.Y.; Chen, Z.Y.; Liu, J.R.; Lu, P.X.; Li, R.X.; Qian, L.J.; Lu, B.D.
Title Long-distance channeling and focusing of lasers in plasmas Type A1 Journal article
Year 2002 Publication Physica scripta Abbreviated Journal Phys Scripta
Volume 66 Issue (down) 5 Pages 381-384
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract The propagation of a short laser beam in plasma is investigated analytically Relativistic ponderomotive force and space charge effects are included, and an equation describing the evolution of the laser spot size is derived. It is shown that self-consistent electron cavitation can lead to self channelling and thus long-distance self-focusing of the laser. The condition for the latter to occur is given.
Address
Corporate Author Thesis
Publisher Place of Publication Stockholm Editor
Language Wos 000179465400008 Publication Date 2003-07-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0031-8949;1402-4896; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.28 Times cited 2 Open Access
Notes Approved Most recent IF: 1.28; 2002 IF: 0.748
Call Number UA @ lucian @ c:irua:95120 Serial 1835
Permanent link to this record
 
 
Author Doria, M.M.; Brandt, E.H.; Peeters, F.M.
Title Magnetization of a superconducting film in a perpendicular magnetic field Type A1 Journal article
Year 2008 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B
Volume 78 Issue (down) 5 Pages 0544047,1-054407,7
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract With large thin superconducting films in a perpendicular magnetic field, the usual definition and calculation of the magnetization M via currents or as the difference of two fields fail, since the spatially averaged magnetic field in the film coincides with the uniform applied field and the demagnetization factor is unity. The definition of M as field-derivative of the free energy, however, still works in this limit. We generalize the virial theorem, previously derived for infinite bulk superconductors, to infinitely extended films of arbitrary thickness. An expression for M is obtained that indeed reproduces the M computed from the field derivative of the free energy.
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000259368200063 Publication Date 2008-08-08
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 12 Open Access
Notes Approved Most recent IF: 3.836; 2008 IF: 3.322
Call Number UA @ lucian @ c:irua:76525 Serial 1895
Permanent link to this record
 
 
Author Vassiliev, S.Y.; Laurinavichute, V.K.; Abakumov, A.M.; Govorov, V.A.; Bendovskii, E.B.; Turner, S.; Filatov, A.Y.; Tarasovskii, V.P.; Borzenko, A.G.; Alekseeva, A.M.; Antipov, E.V.
Title Microstructural aspects of the degradation behavior of SnO2-based anodes for aluminum electrolysis Type A1 Journal article
Year 2010 Publication Journal of the electrochemical society Abbreviated Journal J Electrochem Soc
Volume 157 Issue (down) 5 Pages C178-C186
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The performance of SnO2 ceramic anodes doped with copper and antimony oxides was examined in cryolite alumina melts under anodic polarization at different cryolite ratios, temperatures, times, and current densities. The corroded part consists of a narrow strong corrosion zone at the anode surface with damage of the intergrain contacts and a large increase in porosity, a wider moderate corrosion zone with a smaller porosity increase, and a Cu depletion zone, where the ceramic retains its initial microstructure and a slight porosity increase occurs due to the removal of the Cu-rich inclusions. Mechanical destruction of the anode was never observed in the 10100 h tests. A microstructural model of the ceramic was suggested, consisting of grains with an Sb-doped SnO2 grain core surrounded by an ~200 to 500 nm grain shell where SnO2 was simultaneously doped with Sb and Mn+ (M=Cu2+,Fe3+,Al3+). The grains were separated by a few nanometers thick Cu-enriched grain boundaries. Different secondary charge carrier (holes) concentrations and electric conductivities in the grain core and grain shell result in a higher current density at the intergrain regions that leads to their profound degradation, especially in the low temperature acidic melt.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000276555300037 Publication Date 2010-04-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0013-4651; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.259 Times cited 3 Open Access
Notes Approved Most recent IF: 3.259; 2010 IF: 2.427
Call Number UA @ lucian @ c:irua:82260 Serial 2040
Permanent link to this record
 
 
Author Herrebout, D.; Bogaerts, A.; Yan, M.; Gijbels, R.; Goedheer, W.; Vanhulsel, A.
Title Modeling of a capacitively coupled radio-frequency methane plasma: comparison between a one-dimensional and a two-dimensional fluid model Type A1 Journal article
Year 2002 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 92 Issue (down) 5 Pages 2290-2295
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000177548500011 Publication Date 2002-09-18
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 15 Open Access
Notes Approved Most recent IF: 2.068; 2002 IF: 2.281
Call Number UA @ lucian @ c:irua:40188 Serial 2113
Permanent link to this record
 
 
Author Vodolazov, D.Y.; Peeters, F.M.; Dubonos, S.V.; Geim, A.K.
Title Multiple flux jumps and irreversible behavior of thin Al superconducting rings Type A1 Journal article
Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 67 Issue (down) 5 Pages 054506-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract An experimental and theoretical investigation was made of flux jumps and irreversible magnetization curves of mesoscopic Al superconducting rings. In the small magnetic-field region the change of vorticity with magnetic field can be larger than unity. This behavior is connected with the existence of several metastable states of different vorticities. The intentional introduction of a defect in the ring has a large effect on the size of the flux jumps. Calculations based on the time-dependent Ginzburg-Landau model allows us to explain the experimental results semiquantitatively.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000181360300061 Publication Date 2003-02-22
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 49 Open Access
Notes Approved Most recent IF: 3.836; 2003 IF: NA
Call Number UA @ lucian @ c:irua:102812 Serial 2227
Permanent link to this record
 
 
Author Boullay, P.; Schryvers, D.; Ball, J.M.
Title Nano-structures at martensite macrotwin interfaces in Ni65Al35 Type A1 Journal article
Year 2003 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 51 Issue (down) 5 Pages 1421-1436
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The atomic configurations at macrotwin interfaces between microtwinned martensite plates in Ni65Al35 material are investigated using transmission electron microscopy. The observed structures are interpreted in view of possible formation mechanisms for these interfaces. A distinction is made between cases in which the microtwins, originating from mutually perpendicular {110} austenite planes, enclose a final angle larger or smaller than 90degrees. Two different configurations, a crossing and a step type are described. Depending on the actual case, tapering, bending and tip splitting of the smaller microtwinvariants are observed. The most reproducible deformations occur in a region of approximately 5-10 nm width around the interface while a variety of structural defects are observed further away from the interface. These structures and deformations are interpreted in terms of the coalescence of two separately nucleated microtwinned martensite plates and the need to accommodate remaining stresses. (C) 2003 Acta Materialia Inc. Published by Elsevier Science Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Oxford Editor
Language Wos 000181677700018 Publication Date 2003-03-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.301 Times cited 31 Open Access
Notes Approved Most recent IF: 5.301; 2003 IF: 3.059
Call Number UA @ lucian @ c:irua:48364 Serial 2248
Permanent link to this record
 
 
Author Lin, F.; Meng; Kukueva, E.; Mertens, M.; Van Doorslaer, S.; Bals, S.; Cool, P.
Title New insights into the mesophase transformation of ethane-bridged PMOs by the influence of different counterions under basic conditions Type A1 Journal article
Year 2015 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 5 Issue (down) 5 Pages 5553-5562
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
Abstract The counterions are of crucial importance in determining the mesostructure and morphology of ethanebridged PMO materials synthesized under basic conditions. By using CTABr as the surfactant, the final PMO materials show a 2-D hexagonal (p6mm) mesophase, while PMO materials with cubic (Pm (3) over barn ) mesostructure are obtained when CTACl or CTA(SO4)(1)/(2) are used. With gradually replacing CTABr by CTACl or CTA(SO4) (1)/(2) while keeping the total surfactant concentration constant, a clear p6mm to Pm (3) over barn 3n mesophase evolution process is observed. For a given gel composition, the mesophase of ethanebridged PMO materials can also be adjusted by the addition of different sodium salts. In short, the effect of the counterions on the mesophase can be attributed to the binding strength of the ions on the surfactant micelles, which follows the Hofmeister series (SO42- < Cl- < Br-< NO3- < SCN-). Furthermore, it is found that the hydrolysis and condensation rate of the organosilica precursor also plays an important role in the formation of the final mesostructure
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000347304900010 Publication Date 2014-12-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.108 Times cited 6 Open Access Not_Open_Access
Notes ; The Erasmus Mundus CONNEC program is acknowledged for PhD funding of F. L. Furthermore, the authors acknowledge support by the GOA-BOF project 'Optimization of the structureactivity relation in nanoporous materials', funded by the University of Antwerp. ; Approved Most recent IF: 3.108; 2015 IF: 3.840
Call Number c:irua:123768 Serial 2317
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Author Afanasov, I.M.; Lebedev, O.I.; Kolozhvary, B.A.; Smirnov, A.V.,; Van Tendeloo, G.
Title Nickel/carbon composite materials based on expanded graphite Type A1 Journal article
Year 2011 Publication New carbon materials Abbreviated Journal
Volume 26 Issue (down) 5 Pages 335-340
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Monolithic nickel/carbon (Ni/C) composites were prepared from coal tar pitch-impregnated compressed expanded graphite pre-decorated with NiO particles (EGNiO) by pyrolysis at 550 °C and subsequent steam activation at 800 °C. The microstructural arrangement of the Ni-comprising nanoparticles in the composites was investigated using transmission electron microscopy. The specific surface area and porosity of the composites were analyzed by nitrogen adsorption. The catalytic activity of the composites was compared with the material obtained by the conventional H2 treatment of EGNiO using hydrocracking of 2,2,3-trimethylpentane as a model reaction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000296926500003 Publication Date 2011-11-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1872-5805; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 7 Open Access
Notes Iap Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:93633 Serial 2340
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Author Vlasov, I.I.; Shenderova, O.; Turner, S.; Lebedev, O.I.; Basov, A.A.; Sildos, I.; Rähn, M.; Shiryaev, A.A.; Van Tendeloo, G.
Title Nitrogen and luminescent nitrogen-vacancy defects in detonation nanodiamond Type A1 Journal article
Year 2010 Publication Small Abbreviated Journal Small
Volume 6 Issue (down) 5 Pages 687-694
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract An efficient method to investigate the microstructure and spatial distribution of nitrogen and nitrogen-vacancy (N-V) defects in detonation nanodiamond (DND) with primary particle sizes ranging from approximately 3 to 50 nm is presented. Detailed analysis reveals atomic nitrogen concentrations as high as 3 at% in 50% of diamond primary particles with sizes smaller than 6 nm. A non-uniform distribution of nitrogen within larger primary DND particles is also presented, indicating a preference for location within the defective central part or at twin boundaries. A photoluminescence (PL) spectrum with well-pronounced zero-phonon lines related to the N-V centers is demonstrated for the first time for electron-irradiated and annealed DND particles at continuous laser excitation. Combined Raman and PL analysis of DND crystallites dispersed on a Si substrate leads to the conclusion that the observed N-V luminescence originates from primary particles with sizes exceeding 30 nm. These findings demonstrate that by manipulation of the size/nitrogen content in DND there are prospects for mass production of nanodiamond photoemitters based on bright and stable luminescence from nitrogen-related defects.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000275972400013 Publication Date 2010-01-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1613-6810;1613-6829; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.643 Times cited 84 Open Access
Notes Esteem 026019 Approved Most recent IF: 8.643; 2010 IF: 7.336
Call Number UA @ lucian @ c:irua:82364 Serial 2341
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Author Fang, C.M.; Sluiter, M.H.F.; van Huis, M.; Ande, C.K.; Zandbergen, H.W.
Title Origin of predominance of cementite among iron carbides in steel at elevated temperature Type A1 Journal article
Year 2010 Publication Physical review letters Abbreviated Journal Phys Rev Lett
Volume 105 Issue (down) 5 Pages 4
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A long-standing challenge in physics is to understand why cementite is the predominant carbide in steel. Here we show that the prevalent formation of cementite can be explained only by considering its stability at elevated temperature. A systematic highly accurate quantum mechanical study was conducted on the stability of binary iron carbides. The calculations show that all the iron carbides are unstable relative to the elemental solids, -Fe and graphite. Apart from a cubic Fe23C6 phase, the energetically most favorable carbides exhibit hexagonal close-packed Fe sublattices. Finite-temperature analysis showed that contributions from lattice vibration and anomalous Curie-Weis magnetic ordering, rather than from the conventional lattice mismatch with the matrix, are the origin of the predominance of cementite during steel fabrication processes.
Address
Corporate Author Thesis
Publisher Place of Publication New York, N.Y. Editor
Language Wos 000280472900008 Publication Date 2010-07-30
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 65 Open Access
Notes Approved Most recent IF: 8.462; 2010 IF: 7.622
Call Number UA @ lucian @ c:irua:84064 Serial 2526
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Author Ovsyannikov, S.V.; Abakumov, A.M.; Tsirlin, A.A.; Schnelle, W.; Egoavil, R.; Verbeeck, J.; Van Tendeloo, G.; Glazyrin, K.V.; Hanfland, M.; Dubrovinsky, L.
Title Perovskite-like Mn2O3 : a path to new manganites Type A1 Journal article
Year 2013 Publication Angewandte Chemie Abbreviated Journal Angew Chem Int Edit
Volume 52 Issue (down) 5 Pages 1494-1498
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Korund-artiges ε-Mn2O3 und Perowskit-artiges ζ-Mn2O3, zwei neue Phasen von Mn2O3, wurden unter hohen Drücken bei hohen Temperaturen synthetisiert. Die Manganatome können vollständig die A- und B-Positionen der Perowskitstruktur besetzen. ζ-Mn2O3 (siehe Bild, A-Positionsordnung) enthält Mn in den drei Oxidationsstufen +II, +III und +IV.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000313913300027 Publication Date 2012-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.994 Times cited 84 Open Access
Notes This work was supported by the DFG (project OV-110/1-1), Alexander von Humboldt foundation, European Union Council (FP7)-Grant no. 246102 IFOX, European Research Council (FP7)-ERC Starting Grant no. 278510 VORTEX and ERC Grant no. 246791-COUNTATOMS, and Hercules fund from the Flemish Government. ECASJO_; Approved Most recent IF: 11.994; 2013 IF: 11.336
Call Number UA @ lucian @ c:irua:108765UA @ admin @ c:irua:108765 Serial 2573
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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 (down) 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
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
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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 (down) 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
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 Verreck, D.; Van de Put, M.; Sorée, B.; Verhulst, A.S.; Magnus, W.; Vandenberghe, W.G.; Collaert, N.; Thean, A.; Groeseneken, G.
Title Quantum mechanical solver for confined heterostructure tunnel field-effect transistors Type A1 Journal article
Year 2014 Publication Journal of applied physics Abbreviated Journal J Appl Phys
Volume 115 Issue (down) 5 Pages 053706-53708
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Heterostructure tunnel field-effect transistors (HTFET) are promising candidates for low-power applications in future technology nodes, as they are predicted to offer high on-currents, combined with a sub-60 mV/dec subthreshold swing. However, the effects of important quantum mechanical phenomena like size confinement at the heterojunction are not well understood, due to the theoretical and computational difficulties in modeling realistic heterostructures. We therefore present a ballistic quantum transport formalism, combining a novel envelope function approach for semiconductor heterostructures with the multiband quantum transmitting boundary method, which we extend to 2D potentials. We demonstrate an implementation of a 2-band version of the formalism and apply it to study confinement in realistic heterostructure diodes and p-n-i-n HTFETs. For the diodes, both transmission probabilities and current densities are found to decrease with stronger confinement. For the p-n-i-n HTFETs, the improved gate control is found to counteract the deterioration due to confinement. (C) 2014 AIP Publishing LLC.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000331645900040 Publication Date 2014-02-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.068 Times cited 15 Open Access
Notes ; D. Verreck acknowledges the support of a Ph.D. stipend from the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT-Vlaanderen). This work was supported by imec's Industrial Affiliation Program. ; Approved Most recent IF: 2.068; 2014 IF: 2.183
Call Number UA @ lucian @ c:irua:115825 Serial 2780
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Author Szafran, B.; Peeters, F.M.
Title Re-entrant pinning of Wigner molecules in a magnetic field due to a Coulomb impurity Type A1 Journal article
Year 2004 Publication Europhysics letters Abbreviated Journal Epl-Europhys Lett
Volume 66 Issue (down) 5 Pages 701-707
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Pinning of magnetic-field-induced Wigner molecules (WMs) confined in parabolic two-dimensional quantum dots by a charged defect is studied by an exact diagonalization approach. We found a re-entrant pinning of the WMs as a function of the magnetic field, a magnetic-field-induced re-orientation of the WMs and a qualitatively different pinning behaviour in the presence of a positive and negative Coulomb impurity.
Address
Corporate Author Thesis
Publisher Place of Publication Paris Editor
Language Wos 000223064900014 Publication Date 2004-05-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.957 Times cited 11 Open Access
Notes Approved Most recent IF: 1.957; 2004 IF: 2.120
Call Number UA @ lucian @ c:irua:103226 Serial 2816
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Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
Title Reply to “Comment on 'Vortices induced in a superconducting loop by asymmetric kinetic inductance and their detection in transport measurements' ” Type Editorial
Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 90 Issue (down) 5 Pages 056502
Keywords Editorial; Condensed Matter Theory (CMT)
Abstract Our calculations, within known limitations of Ginzburg-Landau theory, are fully correct and valid for transport phenomena in asymmetric mesoscopic superconductors, deep in the superconducting state. We deemed the experiments of Burlakov et al. [JETP Lett. 86, 517 (2007)] relevant and important to mention in the general context of our paper since the observed shifts in the oscillations of different quantities are qualitatively similar, even though those measurements are performed close to the superconducting-normal state transition in the so-called Little-Parks regime.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000341266400006 Publication Date 2014-08-28
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 1 Open Access
Notes ; ; Approved Most recent IF: 3.836; 2014 IF: 3.736
Call Number UA @ lucian @ c:irua:119256 Serial 2876
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Author Guerrero, A.; Heidari, H.; Ripolles, T.S.; Kovalenko, A.; Pfannmöller, M.; Bals, S.; Kauffmann, L.-D.; Bisquert, J.; Garcia-Belmonte, G.
Title Shelf life degradation of bulk heterojunction solar cells : intrinsic evolution of charge transfer complex Type A1 Journal article
Year 2015 Publication Laser physics review Abbreviated Journal Adv Energy Mater
Volume 5 Issue (down) 5 Pages 1401997
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Achievement of long-term stability of organic photovoltaics is currently one of the major topics for this technology to reach maturity. Most of the techniques used to reveal degradation pathways are destructive and/or do not allow for real-time measurements in operating devices. Here, three different, nondestructive techniques able to provide real-time information, namely, film absorbance, capacitance-voltage (C-V), and impedance spectroscopy (IS), are combined over a period of 1 year using non-accelerated intrinsic degradation conditions. It is discerned between chemical modifications in the active layer, physical processes taking place in the bulk of the blend from those at the active layer/contact interfaces. In particular, it is observed that during the ageing experiment, the main source for device performance degradation is the formation of donor-acceptor charge-transfer complex (P3HT(center dot+)-PCBM center dot-) that acts as an exciton quencher. Generation of these radical species diminishes photocurrent and reduces open-circuit voltage by the creation of electronic defect states. Conclusions extracted from absorption, C-V, and IS measurements will be further supported by a range of other techniques such as atomic force microscopy, X-ray diffraction, and dark-field imaging of scanning transmission electron microscopy on ultrathin cross-sections.
Address
Corporate Author Thesis
Publisher Place of Publication S.l. Editor
Language Wos 000352708600013 Publication Date 2014-12-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1614-6832; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.721 Times cited 30 Open Access OpenAccess
Notes 287594 Sunflower; 335078 Colouratom; ECAS_Sara; (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); Approved Most recent IF: 16.721; 2015 IF: 16.146
Call Number c:irua:126000 Serial 2994
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Author Nelissen, K.; Misko, V.R.; Peeters, F.M.
Title Single-file diffusion of interacting particles in a one-dimensional channel Type A1 Journal article
Year 2007 Publication Epl Abbreviated Journal Epl-Europhys Lett
Volume 80 Issue (down) 5 Pages 56004,1-5
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000251647900018 Publication Date 2007-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0295-5075;1286-4854; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 1.957 Times cited 48 Open Access
Notes Approved Most recent IF: 1.957; 2007 IF: 2.206
Call Number UA @ lucian @ c:irua:67336 Serial 3022
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Author Shanenko, A.A.; Croitoru, M.D.; Zgirski, M.; Peeters, F.M.; Arutyunov, K.
Title Size-dependent enhancement of superconductivity in Al and Sn nanowires: shape-resonance effect Type A1 Journal article
Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 74 Issue (down) 5 Pages 052502,1-4
Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Lancaster, Pa Editor
Language Wos 000240238400015 Publication Date 2007-02-05
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 95 Open Access
Notes Approved Most recent IF: 3.836; 2006 IF: 3.107
Call Number UA @ lucian @ c:irua:60806 Serial 3034
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Author Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W.
Title Stability and crystal structures of iron carbides : a comparison between the semi-empirical modified embedded atom method and quantum-mechanical DFT calculations Type A1 Journal article
Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
Volume 85 Issue (down) 5 Pages 054116-054116,7
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Iron carbides play a crucial role in steel manufacturing and processing and to a large extent determine the physical properties of steel products. The modified embedded atom method (MEAM) in combination with Lee's Fe-C potential is a good candidate for molecular dynamics simulations on larger Fe-C systems. Here, we investigate the stability and crystal structures of pure iron and binary iron carbides using MEAM and compare them with the experimental data and quantum-mechanical density functional theory calculations. The analysis shows that the Fe-C potential gives reasonable results for the relative stability of iron and iron carbides. The performance of MEAM for the prediction of the potential energy and the calculated lattice parameters at elevated temperature for pure iron phases and cementite are investigated as well. The conclusion is that Lee's MEAM Fe-C potential provides a promising basis for further molecular dynamics simulations of Fe-C alloys and steels at lower temperatures (up to 800 K).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000300931900004 Publication Date 2012-02-29
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 Approved Most recent IF: 3.836; 2012 IF: 3.767
Call Number UA @ lucian @ c:irua:97201 Serial 3117
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