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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 | 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. | ||||
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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 | ||
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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 | 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. | ||||
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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 | Gélard, J.; Jehanathan, N.; Roussel, H.; Gariglio, S.; Lebedev, O.I.; Van Tendeloo, G.; Dubourdieu, C. | ||||
Title | Off-stoichiometry effects on the crystalline and defect structure of hexagonal manganite REMnO3 films (RE = Y, Er, Dy) | Type | A1 Journal article | ||
Year | 2011 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 23 | Issue | 5 | Pages | 1232-1238 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The crystalline and defect structure of epitaxial hexagonal RExMnyO3 (RE = Er, Dy) films with varying cationic composition was investigated by X-ray diffraction and transmission electron microscopy. The films are composed of a strained layer at the interface with the substrate and of a relaxed layer on top of it. The critical thickness is of 10 to 25 nm. For Mn-rich films (or RE deficient), an off-stoichiometric composition maintaining the hexagonal LuMnO3-type structure is stabilized over a large range of the RE/Mn ratio (0.72−1.00), with no Mn-rich secondary phases observed. A linear dependence of the out-of-plane lattice parameter with RE/Mn is observed in this range. Out-of-phase boundary (OPB) extended defects are observed in all films and exhibit a local change in stoichiometry. Such a large solubility limit in the RE deficient region points toward the formation of vacancies on the RE site (RExMnO3−δ, with 0.72 ≤ x < 1), a phenomenon that is encountered in perovskite manganites such as LaxMnO3−δ (x < 1) and that may strongly impact the physical properties of hexagonal manganites. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000287767200022 | Publication Date | 2011-02-03 | |
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 | 17 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2011 IF: 7.286 | |||
Call Number | UA @ lucian @ c:irua:88649 | Serial | 2430 | ||
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Author | Wang, Z.-H.; Kronmüller, H.; Lebedev, O.I.; Gross, G.M.; Razavi, F.S.; Habermeier, H.U.; Shen, B.G. | ||||
Title | Phase transition and magnetic anisotropy of (La,Sr)MnO3 thin films | Type | A1 Journal article | ||
Year | 2002 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 65 | Issue | 5 | Pages | 054411-54416 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The magnetic proper-ties and their correlation with the microstructure and electrical transport are investigated in La0.88Sr0.1MnO3 films grown on (100)SrTiO3 Single crystal substrates with thickness ranging from 100 to 2500 Angstrom. The ultrathin film (t = 100 Angstrom) has a single ferromagnetic transition (FMT) at T-c of 250 K, whereas the thicker films exhibit two FMTs, with the main one at a lowered T-c of 200 K while the minor one around 300 K. Furthermore, a thickness dependent magnetic anisotropy has been found, strongly indicating the existence of strain effect, which is also revealed by the transmission electron microscopy study. The suppressed Jahn-Teller distortion (JTD) by the epitaxial strain, and the recovered JTD due to the strain relexation are suggested to explain the metallic behavior in thin films and the insulating behavior in the thick film (t = 2500 Angstrom), repectively. | ||||
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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 | 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. | ||||
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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 | Schryvers, D.; Potapov, P.L. | ||||
Title | R-phase structure refinement using electron diffraction data | Type | A1 Journal article | ||
Year | 2002 | Publication | Materials transactions | Abbreviated Journal | Mater Trans |
Volume | 43 | Issue | 5 | Pages | 774-779 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000176212100002 | Publication Date | 2005-10-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1345-9678; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 0.713 | Times cited | 25 | Open Access | |
Notes | Approved | Most recent IF: 0.713; 2002 IF: 0.841 | |||
Call Number | UA @ lucian @ c:irua:48772 | Serial | 2805 | ||
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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 | 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. | ||||
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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 | 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 | 5 | Pages | 052502,1-4 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
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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 | 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). | ||||
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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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Author | Smondyrev, M.A.; Verbist, G.; Peeters, F.M.; Devreese, J.T. | ||||
Title | Stability of multipolaron matter | Type | A1 Journal article | ||
Year | 1993 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 47 | Issue | 5 | Pages | 2596-2601 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | A1993KL78900022 | Publication Date | 2002-07-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0163-1829;1095-3795; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.736 | Times cited | 10 | Open Access | |
Notes | Approved | PHYSICS, APPLIED 28/145 Q1 # | |||
Call Number | UA @ lucian @ c:irua:5745 | Serial | 3127 | ||
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Author | Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. | ||||
Title | Stabilized vortex-antivortex molecules in a superconducting microdisk with a magnetic nanodot on top | Type | A1 Journal article | ||
Year | 2007 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 75 | Issue | 5 | Pages | 052502,1-4 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | 000244532600020 | Publication Date | 2007-03-01 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 15 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2007 IF: 3.172 | |||
Call Number | UA @ lucian @ c:irua:63790 | Serial | 3141 | ||
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Author | Vodolazov, D.Y.; Baelus, B.J.; Peeters, F.M. | ||||
Title | Stationary-phase slip state in quasi-one-dimensional rings | Type | A1 Journal article | ||
Year | 2002 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 66 | Issue | 5 | Pages | 054531-54536 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The nonuniform superconducting state in a ring in which the order parameter vanishing at one point is studied. This state is characterized by a jump of the phase by pi at the point where the order parameter becomes zero. In uniform rings such a state is a saddle-point state and consequently unstable. However, for nonuniform rings with, e.g., variations of geometrical or physical parameters or with attached wires this state can be stabilized and may be realized experimentally. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000177873000137 | Publication Date | 2002-10-01 | |
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 | 29 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2002 IF: NA | |||
Call Number | UA @ lucian @ c:irua:104147 | Serial | 3152 | ||
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Author | Hervieu, M.; Martin, C.; Maignan, A.; Van Tendeloo, G.; Jirak, Z.; Hejtmanek, J.; Barnabe, A.; Thopart, D.; Raveau, B. | ||||
Title | Structural and magnetotransport transitions in the electron-doped Pr1-xSrxMnO3(0.85\leq x\leq1) manganites | Type | A1 Journal article | ||
Year | 2000 | Publication | Chemistry and materials | Abbreviated Journal | Chem Mater |
Volume | 12 | Issue | 5 | Pages | 1456-1462 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The exploration of the Mn4+-rich side of the Pr1-xSrxMnO3 system has allowed the extension of the domain of the cubic perovskite, by using a two-step process, combining synthesis under Ar flow at high temperature and O-2 pressure annealing at lower temperature. We show that these Pr-doped cubic perovskites exhibit a coupled structural (cubic-tetragonal) and magnetic (para-antiferro) transition connected with a resistivity jump at the same temperature. The strong interplay between lattice, charges, and spins for these oxides results from the appearance at low temperature of the distorted C-type antiferromagnetic structure. The Pr1-xSrxMnO3 magnetic phase diagram shows, for 0.9 less than or equal to x less than or equal to 1 (i.e., on the Mn4+-rich side), the existence at low temperature of C- and G-type antiferromagnetism. The absence of ferromagnetic-antiferromagnetic competition explains that magnetoresistante properties are not observed in this system, in contrast to Mn4+-rich Ln(1-x)Ca(x)MnO(3) systems. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000087136800039 | Publication Date | 2002-07-26 | |
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 | 24 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2000 IF: 3.580 | |||
Call Number | UA @ lucian @ c:irua:103454 | Serial | 3198 | ||
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Author | Nikolaev, A.V.; Michel, K.H. | ||||
Title | Symmetry lowering at the structural phase transitions in NpO2 and UO2 | Type | A1 Journal article | ||
Year | 2003 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 68 | Issue | 5 | Pages | 054112-054112,7 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The structural phase transitions with electric-quadrupole long-range order in NpO2 (Fm (3) over barm-->Pn (3) over barm) and UO2 (Fm (3) over barm-->Pa (3) over bar) are analyzed from a group theoretical point of view. In both cases, the symmetry lowering involves three quadrupolar components belonging to the irreducible representation T-2g (Gamma(5)) of O-h and condensing in a triple-q structure at the X point of the Brillouin zone. The Pa (3) over bar structure is close to Pn (3) over barm, but allows for oxygen displacements. The Pa (3) over bar ordering leads to an effective electrostatic attraction between electronic quadrupoles while the Pn (3) over barm ordering results in a repulsion between them. It is concluded that the Pn (3) over barm structure can be stabilized only through some additional process such as strengthening of the chemical bonding between Np and O. We also derive the relevant structure-factor amplitudes for Pn (3) over barm and Pa (3) over bar, and the effect of domains on resonant x-ray scattering experiments. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000185240100038 | Publication Date | 2003-08-29 | |
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 | 15 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 2003 IF: NA | |||
Call Number | UA @ lucian @ c:irua:94847 | Serial | 3405 | ||
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Author | Milants, K.; Hendrickx, P.; Verheyden, J.; Barancira, T.; Deweerd, W.; Pattyn, H.; Bukshpan, S.; Vermeiren, F.; Van Tendeloo, G. | ||||
Title | 133Xe(Cs) Mössbauer measurements on Ar, Ne, Kr, Xe, Rb, and Cs inclusions in W and Mo | Type | A1 Journal article | ||
Year | 1997 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 55 | Issue | 5 | Pages | 2831-2839 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Lancaster, Pa | Editor | ||
Language | Wos | A1997WG88600034 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1098-0121; 0163-1829 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.836 | Times cited | 2 | Open Access | |
Notes | Approved | Most recent IF: 3.836; 1997 IF: NA | |||
Call Number | UA @ lucian @ c:irua:21422 | Serial | 3512 | ||
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Author | Prituzhalov, V.A.; Abakumov, A.M.; Ardashnikova, E.I.; Dolgikh, V.A.; Van Tendeloo, G. | ||||
Title | :Ba2.1Bi0.9(O, F)6.8-\delta: a new ordered anion-excess fluorite | Type | A1 Journal article | ||
Year | 2007 | Publication | Materials research bulletin | Abbreviated Journal | Mater Res Bull |
Volume | 42 | Issue | 5 | Pages | 861-869 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | 000245842600010 | Publication Date | 2006-10-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0025-5408; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.446 | Times cited | 4 | Open Access | |
Notes | Approved | Most recent IF: 2.446; 2007 IF: 1.484 | |||
Call Number | UA @ lucian @ c:irua:64724 | Serial | 3515 | ||
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Author | Abakumov, A.M.; Hadermann, J.; Van Tendeloo, G.; Kovba, M.L.; Skolis, Y.Y.; Mudretsova, S.N.; Antipov, E.V.; Volkova, O.S.; Vasiliev, A.N.; Tristan, N.; Klingeler, R.; Büchner, B. | ||||
Title | [SrF0.8(OH)0.2]2.526[Mn6O12]: columnar rock-salt fragments inside the todorokite-type tunnel structure | Type | A1 Journal article | ||
Year | 2007 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 19 | Issue | 5 | Pages | 1181-1189 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000244467800035 | Publication Date | 2007-02-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756;1520-5002; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 9 | Open Access | |
Notes | Iap V-1 | Approved | Most recent IF: 9.466; 2007 IF: 4.883 | ||
Call Number | UA @ lucian @ c:irua:62525 | Serial | 3561 | ||
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Author | Solís, C.; Rossell, M.D.; Garcia, G.; Van Tendeloo, G.; Santiso, J. | ||||
Title | Unusual strain accommodation and conductivity enhancement by structure modulation variations in Sr4Fe6O12+\delta epitaxial films | Type | A1 Journal article | ||
Year | 2008 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
Volume | 18 | Issue | 5 | Pages | 785-793 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Weinheim | Editor | ||
Language | Wos | 000254448400014 | Publication Date | 2008-03-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1616-301X;1616-3028; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 12.124 | Times cited | 10 | Open Access | |
Notes | Iap V-1; Gbou | Approved | Most recent IF: 12.124; 2008 IF: 6.808 | ||
Call Number | UA @ lucian @ c:irua:70039 | Serial | 3818 | ||
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Author | Chen, Y.; Shanenko, A.A.; Peeters, F.M. | ||||
Title | Vortex anomaly in low-dimensional fermionic condensates : quantum confinement breaks chirality | Type | A1 Journal article | ||
Year | 2014 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 89 | Issue | 5 | Pages | 054513-54515 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Chiral fermions are responsible for low-temperature properties of vortices in fermionic condensates, both superconducting (charged) and superfluid (neutral). One of the most striking consequences of this fact is that the core of a single-quantum vortex collapses at low temperatures, T -> 0 (i.e., the Kramer-Pesch effect for superconductors), due to the presence of chiral quasiparticles in the vortex-core region. We show that the situation changes drastically for fermionic condensates confined in quasi-one-dimensional and quasi-two-dimensional geometries. Here quantum confinement breaks the chirality of in-core fermions. As a result, instead of the ultimate shrinking, the core of a single-quantum vortex extends at low temperatures, and the condensate profile surprisingly mimics the multiquantum vortex behavior. Our findings are relevant for nanoscale superconductors, such as recent metallic nanoislands on silicon, and also for ultracold superfluid Fermi gases in cigar-shaped and pancake-shaped atomic traps. | ||||
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Language | Wos | 000332396800005 | Publication Date | 2014-02-19 | |
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 | ; This work was supported by the “Odysseus” Program of the Flemish Government, the Flemish Science Foundation (FWO-Vl), the Methusalem Program, and the National Science Foundation of China under Grant No. NSFC-11304134. A. A. S. acknowledges the support of Brazilian agencies CNPq and FACEPE (Grant No. APQ-0589-1.05/08). ; | Approved | Most recent IF: 3.836; 2014 IF: 3.736 | ||
Call Number | UA @ lucian @ c:irua:115822 | Serial | 3850 | ||
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Author | Chaves, A.; Peeters, F.M.; Farias, G.A.; Milošević, M.V. | ||||
Title | Vortex-vortex interaction in bulk superconductors : Ginzburg-Landau theory | Type | A1 Journal article | ||
Year | 2011 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
Volume | 83 | Issue | 5 | Pages | 054516-054516,14 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | The vortex-vortex interaction potential in bulk superconductors is calculated within the Ginzburg-Landau (GL) theory and is obtained from a numerical solution of a set of two coupled nonlinear GL differential equations for the vector potential and the superconducting order parameter, where the merger of vortices into a giant vortex is allowed. Further, the interaction potentials between a vortex and a giant vortex and between a vortex and an antivortex are obtained for both type-I and type-II superconductors. Our numerical results agree asymptotically with the analytical expressions for large intervortex separations that are available in the literature. We propose empirical expressions valid over the full interaction range, which are fitted to our numerical data for different values of the GL parameter. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000287712100009 | Publication Date | 2011-02-25 | |
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 | 31 | Open Access | |
Notes | ; Discussions with J. S. Andrade Jr. and A. A. Moreira are gratefully acknowledged. This work was financially supported by CNPq, under Contract No. NanoBioEstruturas 555183/2005-0, PRONEX/FUNCAP, CAPES, the Bilateral programme between Flanders and Brazil, the collaborative project CNPq-FWO-Vl, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-Vl). ; | Approved | Most recent IF: 3.836; 2011 IF: 3.691 | ||
Call Number | UA @ lucian @ c:irua:88805 | Serial | 3899 | ||
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Author | Benetti, G.; Cavaliere, E.; Canteri, A.; Landini, G.; Rossolini, G.M.; Pallecchi, L.; Chiodi, M.; Van Bael, M.J.; Winckelmans, N.; Bals, S.; Gavioli, L. | ||||
Title | Direct synthesis of antimicrobial coatings based on tailored bi-elemental nanoparticles | Type | A1 Journal article | ||
Year | 2017 | Publication | APL materials | Abbreviated Journal | Apl Mater |
Volume | 5 | Issue | 5 | Pages | 036105 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Ultrathin coatings based on bi-elemental nanoparticles (NPs) are very promising to limit the surface-related spread of bacterial pathogens, particularly in nosocomial environments. However, tailoring the synthesis, composition, adhesion to substrate, and antimicrobial spectrum of the coating is an open challenge. Herein, we report on a radically new nanostructured coating, obtained by a one-step gas-phase deposition technique, and composed of bi-elemental Janus type Ag/Ti NPs. The NPs are characterized by a cluster-in-cluster mixing phase with metallic Ag nano-crystals embedded in amorphous TiO2 and present a promising antimicrobial activity including also multidrug resistant strains. We demonstrate the flexibility of the method to tune the embedded Ag nano-crystals dimension, the total relative composition of the coating, and the substrate type, opening the possibility of tailoring the dimension, composition, antimicrobial spectrum, and other physical/chemical properties of such multi-elemental systems. This work is expected to significantly spread the range of applications of NPs coatings, not only as an effective tool in the prevention of healthcare-associated infections but also in other technologically relevant fields like sensors or nano-/micro joining. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000398951000014 | Publication Date | 2017-03-20 | |
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 | 21 | Open Access | OpenAccess |
Notes | We thank Urs Gfeller for the XRF measurements, Francesco Banfi for valuable discussions on the manuscript and Giulio Viano for his valuable support in the microbiological analysis. The authors acknowledge the financial support of Universita Cattolica del Sacro Cuore through D.2.2 and D.3.1 grants and from the European Union through the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). REFERENCES | Approved | Most recent IF: 4.335 | ||
Call Number | EMAT @ emat @ c:irua:141723UA @ admin @ c:irua:141723 | Serial | 4479 | ||
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Author | Berdiyorov, G.R.; Neek-Amal, M.; Hussein, I.A.; Madjet, M.E.; Peeters, F.M. | ||||
Title | Large CO2 uptake on a monolayer of CaO | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of materials chemistry A : materials for energy and sustainability | Abbreviated Journal | J Mater Chem A |
Volume | 5 | Issue | 5 | Pages | 2110-2114 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong interaction with the CO2 molecules, this material possesses a remarkably high CO2 uptake capacity (similar to 0.4 g CO2 per g adsorbent). The CaO + CO2 system shows excellent thermal stability (up to 1000 K). Moreover, the material is highly selective towards CO2 against other major greenhouse gases such as CH4 and N2O. These advantages make this material a very promising candidate for CO2 capture and storage applications. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000395074300035 | Publication Date | 2016-12-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7488; 2050-7496 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.867 | Times cited | 2 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 8.867 | ||
Call Number | UA @ lucian @ c:irua:142034 | Serial | 4556 | ||
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Author | Pulinthanathu Sree, S.; Dendooven, J.; Geerts, L.; Ramachandran, R.K.; Javon, E.; Ceyssens, F.; Breynaert, E.; Kirschhock, C.E.A.; Puers, R.; Altantzis, T.; Van Tendeloo, G.; Bals, S.; Detavernier, C.; Martens, J.A. | ||||
Title | 3D porous nanostructured platinum prepared using atomic layer deposition | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of materials chemistry A : materials for energy and sustainability | Abbreviated Journal | J Mater Chem A |
Volume | 5 | Issue | 5 | Pages | 19007-19016 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | A robust and easy to handle 3D porous platinum structure was created via replicating the 3D channel system of an ordered mesoporous silica material using atomic layer deposition (ALD) over micrometer distances. After ALD of Pt in the silica material, the host template was digested using hydrogen fluoride (HF). A fully connected ordered Pt nanostructure was obtained with morphology and sizes corresponding to that of the pores of the host matrix, as revealed with high-resolution scanning transmission electron microscopy and electron tomography. The Pt nanostructure consisted of hexagonal Pt rods originating from the straight mesopores (11 nm) of the host structure and linking features resulting from Pt replication of the interconnecting mesopore segments (2–4 nm) present in the silica host structure. Electron tomography of partial replicas, made by incomplete infilling of Zeotile-4 material with Pt, provided insight in the connectivity and formation mechanism of the Pt nanostructure by ALD. The Pt replica was evaluated for its potential use as electrocatalyst for the hydrogen evolution reaction, one of the half-reactions of water electrolysis, and as microelectrode for biomedical sensing. The Pt replica showed high activity for the hydrogen evolution reaction and electrochemical characterization revealed a large impedance improvement in comparison with reference Pt electrodes. |
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000411232100010 | Publication Date | 2017-06-28 | |
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 | 9 | Open Access | OpenAccess |
Notes | This work was supported by the Flemish government through long-term structural funding (Methusalem) to JAM and FWO for a research project (G0A5417N). JD, TA and FC acknowledge Flemish FWO for a post-doctoral fellowship. S. B. acknowledges funding from ERC Starting Grant COLOURATOMS (335078). (ROMEO:yellow; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; | Approved | Most recent IF: 8.867 | ||
Call Number | EMAT @ emat @ c:irua:144624 c:irua:144624 c:irua:144624UA @ admin @ c:irua:144624 | Serial | 4634 | ||
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Author | Zografos, O.; Dutta, S.; Manfrini, M.; Vaysset, A.; Sorée, B.; Naeemi, A.; Raghavan, P.; Lauwereins, R.; Radu, I.P. | ||||
Title | Non-volatile spin wave majority gate at the nanoscale | Type | A1 Journal article | ||
Year | 2017 | Publication | AIP advances T2 – 61st Annual Conference on Magnetism and Magnetic Materials (MMM), OCT 31-NOV 04, 2016, New Orleans, LA | Abbreviated Journal | Aip Adv |
Volume | 7 | Issue | 5 | Pages | 056020 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | A spin wave majority fork-like structure with feature size of 40 nm, is presented and investigated, through micromagnetic simulations. The structure consists of three merging out-of-plane magnetization spin wave buses and four magneto-electric cells serving as three inputs and an output. The information of the logic signals is encoded in the phase of the transmitted spin waves and subsequently stored as direction of magnetization of the magneto-electric cells upon detection. The minimum dimensions of the structure that produce an operational majority gate are identified. For all input combinations, the detection scheme employed manages to capture the majority phase result of the spin wave interference and ignore all reflection effects induced by the geometry of the structure. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). | ||||
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Publisher | Amer inst physics | Place of Publication | Melville | Editor | |
Language | Wos | 000402797100177 | Publication Date | 2017-02-06 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2158-3226 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.568 | Times cited | 13 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 1.568 | ||
Call Number | UA @ lucian @ c:irua:144288 | Serial | 4673 | ||
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Author | Ben Dkhil, S.; Pfannmöller, M.; Ata, I.; Duche, D.; Gaceur, M.; Koganezawa, T.; Yoshimoto, N.; Simon, J.-J.; Escoubas, L.; Videlot-Ackermann, C.; Margeat, O.; Bals, S.; Bauerle, P.; Ackermann, J. | ||||
Title | Time evolution studies of dithieno[3,2-b:2 ',3 '-d] pyrrole-based A-D-A oligothiophene bulk heterojunctions during solvent vapor annealing towards optimization of photocurrent generation | Type | A1 Journal article | ||
Year | 2017 | Publication | Journal of materials chemistry A : materials for energy and sustainability | Abbreviated Journal | J Mater Chem A |
Volume | 5 | Issue | 5 | Pages | 1005-1013 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | Solvent vapor annealing (SVA) is one of the main techniques to improve the morphology of bulk heterojunction solar cells using oligomeric donors. In this report, we study time evolution of nanoscale morphological changes in bulk heterojunctions based on a well-studied dithienopyrrole-based A-D-A oligothiophene (dithieno[3,2-b: 2',3'-d] pyrrole named here 1) blended with [6,6]-phenyl-C-71-butyric acid methyl ester (PC71BM) to increase photocurrent density by combining scanning transmission electron microscopy and low-energy-loss spectroscopy. Our results show that SVA transforms the morphology of 1 : PC71BM blends by a three-stage mechanism: highly intermixed phases evolve into nanostructured bilayers that correspond to an optimal blend morphology. Additional SVA leads to completely phaseseparated micrometer-sized domains. Optical spacers were used to increase light absorption inside optimized 1 : PC71BM blends leading to solar cells of 7.74% efficiency but a moderate photocurrent density of 12.3 mA cm (-2). Quantum efficiency analyses reveal that photocurrent density is mainly limited by losses inside the donor phase. Indeed, optimized 1 : PC71BM blends consist of large donor-enriched domains not optimal for exciton to photocurrent conversion. Shorter SVA times lead to smaller domains; however they are embedded in large mixed phases suggesting that introduction of stronger molecular packing may help us to better balance phase separation and domain size enabling more efficient bulk heterojunction solar cells. | ||||
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Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000394430800018 | Publication Date | 2016-11-30 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7488; 2050-7496 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.867 | Times cited | 19 | Open Access | Not_Open_Access |
Notes | ; We acknowledge financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7, Grant number: 287594). The synchrotron radiation experiments were performed at BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2016A1568). We further acknowledge financial support via ERC Starting Grant Colouratoms (335078). ; | Approved | Most recent IF: 8.867 | ||
Call Number | UA @ lucian @ c:irua:142602UA @ admin @ c:irua:142602 | Serial | 4695 | ||
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Author | Pearce, P.E.; Perez, A.J.; Rousse, G.; Saubanère, M.; Batuk, D.; Foix, D.; McCalla, E.; Abakumov, A.M.; Van Tendeloo, G.; Doublet, M.-L.; Tarascon, J.-M. | ||||
Title | Evidence for anionic redox activity in a tridimensional-ordered Li-rich positive electrode β-Li2IrO3 | Type | A1 Journal article | ||
Year | 2017 | Publication | Nature materials | Abbreviated Journal | Nat Mater |
Volume | 16 | Issue | 5 | Pages | 580-586 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Lithium-ion battery cathode materials have relied on cationic redox reactions until the recent discovery of anionic redox activity in Li-rich layered compounds which enables capacities as high as 300 mAh g(-1). In the quest for new high-capacity electrodes with anionic redox, a still unanswered question was remaining regarding the importance of the structural dimensionality. The present manuscript provides an answer. We herein report on a beta-Li2IrO3 phase which, in spite of having the Ir arranged in a tridimensional (3D) framework instead of the typical two-dimensional (2D) layers seen in other Li-rich oxides, can reversibly exchange 2.5 e(-) per Ir, the highest value ever reported for any insertion reaction involving d-metals. We show that such a large activity results from joint reversible cationic (Mn+) and anionic (O-2)(n-) redox processes, the latter being visualized via complementary transmission electron microscopy and neutron diffraction experiments, and confirmed by density functional theory calculations. Moreover, beta-Li2IrO3 presents a good cycling behaviour while showing neither cationic migration nor shearing of atomic layers as seen in 2D-layered Li-rich materials. Remarkably, the anionic redox process occurs jointly with the oxidation of Ir4+ at potentials as low as 3.4 V versus Li+/Li-0, as equivalently observed in the layered alpha-Li2IrO3 polymorph. Theoretical calculations elucidate the electrochemical similarities and differences of the 3D versus 2D polymorphs in terms of structural, electronic and mechanical descriptors. Our findings free the structural dimensionality constraint and broaden the possibilities in designing high-energy-density electrodes for the next generation of Li-ion batteries. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000400004200018 | Publication Date | 2017-02-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1476-1122 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 39.737 | Times cited | Open Access | Not_Open_Access | |
Notes | The authors thank Q. Jacquet for fruitful discussions and V. Pomjakushin for his valuable help in neutron diffraction experiments. This work is based on experiments performed at the Swiss Spallation Neutron Source SINQ, Paul Scherrer Institute, Villigen, Switzerland. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the US Department of Energy under contract No. DE-AC02-06CH11357 and is greatly acknowledged. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. E.M. acknowledges financial support from the Fonds de Recherche du Quebec-Nature et Technologies. | Approved | Most recent IF: 39.737 | ||
Call Number | EMAT @ emat @c:irua:147502 | Serial | 4773 | ||
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Author | Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. | ||||
Title | MXenes/graphene heterostructures for Li battery applications : a first principles study | Type | A1 Journal article | ||
Year | 2018 | Publication | Journal of materials chemistry A : materials for energy and sustainability | Abbreviated Journal | J Mater Chem A |
Volume | 6 | Issue | 5 | Pages | 2337-2345 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | MXenes are the newest class of two-dimensional (2D) materials, and they offer great potential in a wide range of applications including electronic devices, sensors, and thermoelectric and energy storage materials. In this work, we combined the outstanding electrical conductivity, that is essential for battery applications, of graphene with MXene monolayers (M2CX2 where M = Sc, Ti, V and X = OH, O) to explore its potential in Li battery applications. Through first principles calculations, we determined the stable stacking configurations of M2CX2/graphene bilayer heterostructures and their Li atom intercalation by calculating the Li binding energy, diffusion barrier and voltage. We found that: (1) for the ground state stacking, the interlayer binding is strong, yet the interlayer friction is small; (2) Li binds more strongly to the O-terminated monolayer, bilayer and heterostructure MXene systems when compared with the OHterminated MXenes due to the H+ induced repulsion to the Li atoms. The binding energy of Li decreases as the Li concentration increases due to enhanced repulsive interaction between the positively charged Li ions; (3) Ti2CO2/graphene and V2CO2/graphene heterostructures exhibit large Li atom binding energies making them the most promising candidates for battery applications. When fully loaded with Li atoms, the binding energy is -1.43 eV per Li atom and -1.78 eV per Li atom for Ti2CO2/graphene and V2CO2/graphene, respectively. These two heterostructures exhibit a nice compromise between storage capacity and kinetics. For example, the diffusion barrier of Li in Ti2CO2/graphene is around 0.3 eV which is comparable to that of graphite. Additionally, the calculated average voltages are 1.49 V and 1.93 V for Ti2CO2/graphene and V2CO2/graphene structures, respectively; (4) a small change in the in-plane lattice parameters (<1%), interatomic bond lengths and interlayer distances (<0.5 angstrom) proves the stability of the heterostructures against Li intercalation, and the impending phase separation into constituent layers and capacity fading during charge-discharge cycles in real battery applications; (5) as compared to bare M2CX2 bilayers, M2CX2/graphene heterostructures have lower molecular mass, offering high storage capacity; (6) the presence of graphene ensures good electrical conductivity that is essential for battery applications. Given these advantages, Ti2CO2/graphene and V2CO2/graphene heterostructures are predicted to be promising for lithium-ion battery applications. | ||||
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Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000423981200049 | Publication Date | 2018-01-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7488; 2050-7496 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.867 | Times cited | 131 | Open Access | |
Notes | ; This work was supported by the bilateral project between the Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by the TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from the TUBITAK (Grant No. 115F024 and 116F080). Part of this work was supported by the BAGEP Award of the Science Academy. ; | Approved | Most recent IF: 8.867 | ||
Call Number | UA @ lucian @ c:irua:149265UA @ admin @ c:irua:149265 | Serial | 4945 | ||
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Author | Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M. | ||||
Title | Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation | Type | A1 Journal article | ||
Year | 2019 | Publication | Advanced Electronic Materials | Abbreviated Journal | Adv Electron Mater |
Volume | 5 | Issue | 5 | Pages | 1900459 |
Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | 2D polyaniline, C3N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C3N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of adsorbed hydrogen and oxygen, and the effect of strain, are investigated. Among other interesting phenomena, for hydrogen adsorption, a semiconductor-to-topological insulator transition, where two Dirac-points appear around the Fermi level, as well as ferromagnetic ordering for both hydrogen and oxygen functionalization, is identified. Considering C3N nanoribbons, adsorption of H leads to significant changes in the electronic properties, such as transforming the structures from semiconductor to metallic. Furthermore, investigating the effect of strain on the physical properties, it is found that the band gap can be significantly altered and controlled. The present findings predict that a wide variation in the magnetic and electronic structure of C3N can be achieved by adatom functionalization and conformation indicating its high potential for use in various technological applications, ranging from catalysis, energy storage, and nanoelectronic devices. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000486528200001 | Publication Date | 2019-09-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2199-160x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 4.193 | Times cited | 39 | Open Access | |
Notes | ; This work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). In addition, we acknowledge the OpenMX team for OpenMX code. ; | Approved | Most recent IF: 4.193 | ||
Call Number | UA @ admin @ c:irua:162790 | Serial | 5414 | ||
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Author | de Baere, K.; Verstraelen, H.; Dewil, R.; Lemmens, L.; Lenaerts, S.; Nkunzimana, T.; Potters, G. | ||||
Title | Impact of tank construction on corrosion of ship ballast tanks | Type | A1 Journal article | ||
Year | 2010 | Publication | Materials performance | Abbreviated Journal | Mater Performance |
Volume | 49 | Issue | 5 | Pages | 48-54 |
Keywords | A1 Journal article; Theory of quantum systems and complex systems; Sustainable Energy, Air and Water Technology (DuEL) | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | Publication Date | |||
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0094-1492 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 0.149 | Times cited | Open Access | ||
Notes | ; ; | Approved | Most recent IF: 0.149; 2010 IF: 0.055 | ||
Call Number | UA @ admin @ c:irua:82385 | Serial | 5961 | ||
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Author | Hao, Y.; Velpula, G.; Kaltenegger, M.; Bodlos, W.R.; Vibert, F.; Mali, K.S.; De Feyter, S.; Resel, R.; Geerts, Y.H.; Van Aert, S.; Beljonne, D.; Lazzaroni, R. | ||||
Title | From 2D to 3D : bridging self-assembled monolayers to a substrate-induced polymorph in a molecular semiconductor | Type | A1 Journal article | ||
Year | 2022 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 34 | Issue | 5 | Pages | 2238-2248 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | In this study, a new bottom-up approach is proposed to predict the crystal structure of the substrate-induced polymorph (SIP) of an archetypal molecular semiconductor. In spite of intense efforts, the formation mechanism of SIPs is still not fully understood, and predicting their crystal structure is a very delicate task. Here, we selected lead phthalocyanine (PbPc) as a prototypical molecular material because it is a highly symmetrical yet nonplanar molecule and we demonstrate that the growth and crystal structure of the PbPc SIPs can be templated by the corresponding physisorbed self-assembled molecular networks (SAMNs). Starting from SAMNs of PbPc formed at the solution/graphite interface, the structural and energetic aspects of the assembly were studied by a combination of in situ scanning tunneling microscopy and multiscale computational chemistry approach. Then, the growth of a PbPc SIP on top of the physisorbed monolayer was modeled without prior experimental knowledge, from which the crystal structure of the SIP was predicted. The theoretical prediction of the SIP was verified by determining the crystal structure of PbPc thin films using X-ray diffraction techniques, revealing the formation of a new polymorph of PbPc on the graphite substrate. This study clearly illustrates the correlation between the SAMNs and SIPs, which are traditionally considered as two separate but conceptually connected research areas. This approach is applicable to molecular materials in general to predict the crystal structure of their SIPs. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000812125800001 | Publication Date | 2022-02-17 | |
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 | 8.6 | Times cited | Open Access | Not_Open_Access | |
Notes | Approved | Most recent IF: 8.6 | |||
Call Number | UA @ admin @ c:irua:189086 | Serial | 7084 | ||
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