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Author Georgieva, V.; Saraiva, M.; Jehanathan, N.; Lebelev, O.I.; Depla, D.; Bogaerts, A. pdf  doi
openurl 
  Title Sputter-deposited Mg-Al-O thin films: linking molecular dynamics simulations to experiments Type A1 Journal article
  Year 2009 Publication Journal of physics: D: applied physics Abbreviated Journal J Phys D Appl Phys  
  Volume 42 Issue 6 Pages 065107,1-065107,8  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Using a molecular dynamics model the crystallinity of MgxAlyOz thin films with a variation in the stoichiometry of the thin film is studied at operating conditions similar to the experimental operating conditions of a dual magnetron sputter deposition system. The films are deposited on a crystalline or amorphous substrate. The Mg metal content in the film ranged from 100% (i.e. MgO film) to 0% (i.e. Al2O3 film). The radial distribution function and density of the films are calculated. The results are compared with x-ray diffraction and transmission electron microscopy analyses of experimentally deposited thin films by the dual magnetron reactive sputtering process. Both simulation and experimental results show that the structure of the MgAlO film varies from crystalline to amorphous when the Mg concentration decreases. It seems that the crystalline MgAlO films have a MgO structure with Al atoms in between.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication London Editor  
  Language Wos 000263824200024 Publication Date 2009-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3727;1361-6463; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.588 Times cited 37 Open Access  
  Notes Iwt Approved Most recent IF: 2.588; 2009 IF: 2.083  
  Call Number UA @ lucian @ c:irua:73246 Serial 3110  
Permanent link to this record
 

 
Author Yusupov, M.; Saraiva, M.; Depla, D.; Bogaerts, A. url  doi
openurl 
  Title Sputter deposition of MgxAlyOz thin films in a dual-magnetron device : a multi-species Monte Carlo model Type A1 Journal article
  Year 2012 Publication New journal of physics Abbreviated Journal New J Phys  
  Volume 14 Issue 7 Pages 073043  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A multi-species Monte Carlo (MC) model, combined with an analytical surface model, has been developed in order to investigate the general plasma processes occurring during the sputter deposition of complex oxide films in a dual-magnetron sputter deposition system. The important plasma species, such as electrons, Ar+ ions, fast Ar atoms and sputtered metal atoms (i.e. Mg and Al atoms) are described with the so-called multi-species MC model, whereas the deposition of MgxAlyOz films is treated by an analytical surface model. Targetsubstrate distances for both magnetrons in the dual-magnetron setup are varied for the purpose of growing stoichiometric complex oxide thin films. The metal atoms are sputtered from pure metallic targets, whereas the oxygen flux is only directed toward the substrate and is high enough to obtain fully oxidized thin films but low enough to avoid target poisoning. The calculations correspond to typical experimental conditions applied to grow these complex oxide films. In this paper, some calculation results are shown, such as the densities of various plasma species, their fluxes toward the targets and substrate, the deposition rates, as well as the film stoichiometry. Moreover, some results of the combined model are compared with experimental observations. Note that this is the first complete model, which can be applied for large and complicated magnetron reactor geometries, such as dual-magnetron configurations. With this model, we are able to describe all important plasma species as well as the deposition process. It can also be used to predict film stoichiometries of complex oxide films on the substrate.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Bristol Editor  
  Language Wos 000307072500003 Publication Date 2012-07-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1367-2630; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.786 Times cited 2 Open Access  
  Notes Approved Most recent IF: 3.786; 2012 IF: 4.063  
  Call Number UA @ lucian @ c:irua:100100 Serial 3111  
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Author Elmonov, A.A.; Yusupov, M.S.; Dzhurakhalov, A.A.; Bogaerts, A. openurl 
  Title Sputtering of Si(001) and SiC(001) by grazing ion bombardment Type P1 Proceeding
  Year 2008 Publication Abbreviated Journal  
  Volume Issue Pages 209-213  
  Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract The peculiarities of sputtering processes at 0.5-5 keV Ne grazing ion bombardment of Si(001) and SiC(001) surfaces and their possible application for the surface modification have been studied by computer simulation. Sputtering yields in the primary knock-on recoil atoms regime versus the initial energy of incident ions (E(0) = 0.5-5 keV) and angle of incidence (psi = 0-30 degrees) counted from a target surface have been calculated. Comparative studies of layer-by-layer sputtering for Si(001) and SiC(001) surfaces versus the initial energy of incident ions as well as an effective sputtering and sputtering threshold are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue 84 Edition  
  ISSN 978-86-80019-27-7 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:95704 Serial 3112  
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Author Molnar, B.; Vasilopoulos, P.; Peeters, F.M. openurl 
  Title Square-wave conductance through a chain of rings due to spin-orbit interaction Type P1 Proceeding
  Year 2005 Publication AIP conference proceedings Abbreviated Journal  
  Volume 772 Issue Pages 1335-1336  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract We study ballistic electron transport through a finite chain of quantum circular rings in the presence of spin-orbit interaction (SOI) of strength alpha. The transmission and reflection coefficients for a single ring, obtained analytical lylead to the conductance for a chain of rings as a function of alpha and of the wave vector k of the incident electron. Due to destructive spin interferences the chain can be totaly opaque for certain ranges of k the width of which depends on the value of alpha. A periodic modulation of a widens up the gaps considerably and produces a nearly binary conductance output.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication New York Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0094-243x ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:94771 Serial 3113  
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Author Malo, S.; Abakumov, A.M.; Daturi, M.; Pelloquin, D.; Van Tendeloo, G.; Guesdon, A.; Hervieu, M. doi  openurl
  Title Sr21Bi8Cu2(CO3)(2)O-41, a Bi5+ Oxycarbonate with an Original 10L Structure Type A1 Journal article
  Year 2014 Publication Inorganic chemistry Abbreviated Journal Inorg Chem  
  Volume 53 Issue 19 Pages 10266-10275  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The layered structure of Sr21Bi8Cu2(CO3)(2)O-41 (Z = 2) was determined by transmission electron microscopy, infrared spectroscopy, and powder X-ray diffraction refinement in space group P6(3)/mcm (No. 194), with a = 10.0966(3)angstrom and c = 26.3762(5)angstrom. This original 10L-type structure is built from two structural blocks, namely, [Sr15Bi6Cu2(CO3)O-29] and [Sr6Bi2(CO3)O-12]. The Bi5+ cations form [Bi2O10] dimers, whereas the Cu2+ and C atoms occupy infinite tunnels running along (c) over right arrow. The nature of the different blocks and layers is discussed with regard to the existing hexagonal layered compounds. Sr21Bi8Cu2(CO3)(2)O-41 is insulating and paramagnetic.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Easton, Pa Editor  
  Language Wos 000342856800039 Publication Date 2014-10-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.857 Times cited Open Access  
  Notes Approved Most recent IF: 4.857; 2014 IF: 4.762  
  Call Number UA @ lucian @ c:irua:121115 Serial 3114  
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Author Shanenko, A.A.; Smondyrev, M.A.; Devreese, J.T. openurl 
  Title Stabilisation of bipolarons by polaron environment Type A1 Journal article
  Year 1996 Publication Solid state communications Abbreviated Journal Solid State Commun  
  Volume 98 Issue Pages 1091  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication New York, N.Y. Editor  
  Language Wos A1996UT02900012 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1098 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.897 Times cited 11 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:16186 Serial 3115  
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Author Michel, A.; Pierron-Bohnes, V.; Jay, J.P.; Panissod, P.; Lefebvre, S.; Bessière, M.; Fischer, H.E.; Van Tendeloo, G. pdf  doi
openurl 
  Title Stabilisation of fcc cobalt layers by 0.4 nm thick manganese layers in Co/Mn superlattices Type A1 Journal article
  Year 2001 Publication European physical journal : B : condensed matter and complex systems Abbreviated Journal Eur Phys J B  
  Volume 19 Issue 2 Pages 225-239  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Berlin Editor  
  Language Wos 000167425800008 Publication Date 2003-05-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1434-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.461 Times cited 8 Open Access  
  Notes Approved Most recent IF: 1.461; 2001 IF: 1.811  
  Call Number UA @ lucian @ c:irua:54779 Serial 3116  
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Author Fang, C.M.; van Huis, M.A.; Thijsse, B.J.; Zandbergen, H.W. url  doi
openurl 
  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).  
  Address  
  Corporate Author Thesis  
  Publisher (up) 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 Goldoni, G.; Schweigert, V.; Peeters, F.M. doi  openurl
  Title Stability and dynamical properties of a double-layer Wigner crystal in two dimensions Type A1 Journal article
  Year 1996 Publication Surface science : a journal devoted to the physics and chemistry of interfaces Abbreviated Journal Surf Sci  
  Volume 361/362 Issue Pages 163-166  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Amsterdam Editor  
  Language Wos A1996UZ03300041 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0039-6028; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.925 Times cited 4 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:15814 Serial 3118  
Permanent link to this record
 

 
Author Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. pdf  doi
openurl 
  Title Stability and structures of the CFCC-TmC phases : a first-principles study Type A1 Journal article
  Year 2012 Publication Computational materials science Abbreviated Journal Comp Mater Sci  
  Volume 51 Issue 1 Pages 146-150  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000296214300020 Publication Date 2011-08-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0927-0256; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.292 Times cited 18 Open Access  
  Notes Approved Most recent IF: 2.292; 2012 IF: 1.878  
  Call Number UA @ lucian @ c:irua:93277 Serial 3119  
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Author Fang, C.M.; van Huis, M.A.; Zandbergen, H.W. doi  openurl
  Title Stability and structures of the \epsilon-phases of iron nitrides and iron carbides from first principles Type A1 Journal article
  Year 2011 Publication Scripta materialia Abbreviated Journal Scripta Mater  
  Volume 64 Issue 3 Pages 296-299  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract First-principles calculations were performed for the ε-phases and other iron carbides/nitrides with hexagonal close-packed Fe sublattices. Although these nitrides/carbides have similar crystal structures, they exhibit different chemical and physical properties. Relative to α-Fe, graphite and N2, all the ε-type nitrides are stable, while all the carbides are metastable. The lattice parameters of the ε-iron nitrides vary differently from those of the ε-carbides, as a function of the concentration of X (Xdouble bond; length as m-dashN, C). The structural relationships of ε-Fe2X with η-Fe2X and ζ-Fe2X are discussed.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Oxford Editor  
  Language Wos 000285323300022 Publication Date 2010-09-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-6462; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.747 Times cited 29 Open Access  
  Notes Approved Most recent IF: 3.747; 2011 IF: 2.699  
  Call Number UA @ lucian @ c:irua:86974 Serial 3120  
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Author Berdiyorov, G.R.; Baelus, B.J.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Stability and transition between vortex configurations in square mesoscopic samples with antidots Type A1 Journal article
  Year 2003 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 68 Issue Pages 174521,1-19  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos 000186971600089 Publication Date 2003-11-18  
  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 51 Open Access  
  Notes Approved Most recent IF: 3.836; 2003 IF: NA  
  Call Number UA @ lucian @ c:irua:44984 Serial 3121  
Permanent link to this record
 

 
Author Smondyrev, M.A.; Shanenko, A.A.; Devreese, J.T. openurl 
  Title Stability criterion for large bipolarons in a polaron-gas background Type A1 Journal article
  Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 63 Issue Pages 024302,1-4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos 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 Open Access  
  Notes Approved Most recent IF: 3.836; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:34310 Serial 3122  
Permanent link to this record
 

 
Author Goldoni, G.; Peeters, F.M. doi  openurl
  Title Stability, dynamical properties and melting of a classical bi-layer Wigner crystal Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 53 Issue Pages 4591-4603  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos A1996TZ17700056 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 117 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:15800 Serial 3123  
Permanent link to this record
 

 
Author Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.; van Duin, A.T. doi  openurl
  Title Stability of CH3 molecules trapped on hydrogenated sites of graphene Type A1 Journal article
  Year 2014 Publication Physica: B : condensed matter Abbreviated Journal Physica B  
  Volume 455 Issue Pages 60-65  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We study the effect of a hydrogen atom on the thermal stability of a trapped CH3 molecule on graphene using ReaxFF molecular dynamics simulations. Due to the hydrogen-molecule interaction, enhanced pinning of the CH3 molecule is observed when it is positioned adjacent to the graphene site with the hydrogen atom. We discuss the formation process of such a stable configuration, which originates from different adhesion and migration energies of the hydrogen atom and the CH3 molecule. We also studied the effect of the CH3-H configuration on the electronic transport properties of graphene nanoribbons using first principles density-functional calculations. We found that the formation of the CH3-H structure results in extra features in the transmission spectrum due to the formation of strongly localized states, which are absent when the CH3 molecule is trapped on pristine graphene. Our findings will be useful in exploiting gas sensing properties of graphene, especially for selective detection of individual molecules. (C) 2014 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Amsterdam Editor  
  Language Wos 000344239200016 Publication Date 2014-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.386 Times cited 5 Open Access  
  Notes ; This work was supported by the European Science Foundation (ESF) under the EUROCORES Program Euro-GRAPHENE within the project CONGRAN and the Flemish Science Foundation (FWO-VI). A. van Duin acknowledges funding from the Air Force Office of Scientific Research (AFOSR) under Grant no. FA9550-10-1-0563 G. R. Berdiyorov acknowledges support from King Fahd University of Petroleum and Minerals, Saudi Arabia, under the RG1329-1 and RG1329-2 DSR projects. ; Approved Most recent IF: 1.386; 2014 IF: 1.319  
  Call Number UA @ lucian @ c:irua:121193 Serial 3124  
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Author Peeters, F.M.; Szafran, B.; Chwiej, T.; Bednarek, S.; Adamowski, J. doi  openurl
  Title Stability of charged exciton states in quantum wires Type A1 Journal article
  Year 2006 Publication Few-body systems Abbreviated Journal Few-Body Syst  
  Volume 38 Issue 2/4 Pages 121-124  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Wien Editor  
  Language Wos 000238498200013 Publication Date 2006-05-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0177-7963;1432-5411; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.877 Times cited 3 Open Access  
  Notes Approved Most recent IF: 0.877; 2006 IF: 0.765  
  Call Number UA @ lucian @ c:irua:60035 Serial 3125  
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Author Pina, J.C.; de Souza Silva, C.C.; Milošević, M.V. url  doi
openurl 
  Title Stability of fractional vortex states in a two-band mesoscopic superconductor Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 86 Issue 2 Pages 024512  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We investigate the stability of noncomposite fractional vortex states in a mesoscopic two-band superconductor within the two-component Ginzburg-Landau model. Our analysis explicitly takes into account the relationship between the model parameters and microscopic material parameters, such as partial density of states, Fermi velocities and elements of the electron-phonon coupling matrix. We have found that states with different phase winding number in each band (L-1 not equal L-2) and fractional flux can exist in many different configurations, including rather unconventional ones where the dominating band carries larger winding number and states where vertical bar L-1 – L-2 vertical bar > 1. We present a detailed analysis of the stability of the observed vortex structures with respect to changing the microscopic parameters, showing that, in the weak coupling case, fractional vortex states can be assessed in essentially the whole range of temperatures and applied magnetic fields in which both bands are active. Finally, we propose an efficient way of increasing the range of parameters for which these fractional vortex states can be stabilized. In particular, our proposal allows for observation of fractional vortex structures in materials with stronger coupling, where those states are forbidden at a homogeneous field. This is accomplished with the help of the stray fields of a suitably prepared magnetic dot placed nearby the superconducting disk.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos 000306309600006 Publication Date 2012-07-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 38 Open Access  
  Notes ; We thank Eric B. Claude, Miguel A. Zorro, and Rogerio M. da Silva for assistance in the development of the numerical code used in our simulations. This work was supported by the Brazilian science agencies CNPq and FACEPE, by the FACEPE/CNPq-PRONEX program, under Grant No. APQ-0589-1.05/08, and by CNPq-FWO Brazil-Flanders co-operation program. M.V.M. acknowledges support from the CAPES-PVE program. ; Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:100766 Serial 3126  
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Author Smondyrev, M.A.; Verbist, G.; Peeters, F.M.; Devreese, J.T. doi  openurl
  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  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) 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 Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D. url  doi
openurl 
  Title Stability of Sb-Te layered structures : first-principles study Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 85 Issue 14 Pages 144114-144114,8  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Using an effective one-dimensional cluster expansion in combination with first-principles electronic structure calculations we have studied the energetics and electronic properties of Sb-Te layered systems. For a Te concentration between 0 and 60 at. % an almost continuous series of metastable structures is obtained consisting of consecutive Sb bilayers next to consecutive Sb2Te3 units, with the general formula (Sb-2)(n)(Sb2Te3)(m) (n, m = 1,2, ... ). Between 60 and 100 at.% no stable structures are found. We account explicitly for the weak van derWaals bonding between Sb bilayers and Sb2Te3 units by using a recently developed functional, which strongly improves the interlayer bonding distances. At T = 0 K, no evidence is found for the existence of two separate single-phase regions delta and gamma and a two-phase region delta + gamma. Metastable compounds with a Te concentration between 0 and 40 at. % are semimetallic, whereas compounds with a Te concentration between 50 and 60 at. % are semiconducting. Compounds with an odd number of Sb layers are metallic and have a much higher formation energy than those with an even number of consecutive Sb layers, thereby favoring the formation of Sb bilayers.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000303115400004 Publication Date 2012-04-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 14 Open Access  
  Notes Iwt; Fwo Approved Most recent IF: 3.836; 2012 IF: 3.767  
  Call Number UA @ lucian @ c:irua:98255 Serial 3129  
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Author Földi, P.; Kálmán, O.; Peeters, F.M. url  doi
openurl 
  Title Stability of spintronic devices based on quantum ring networks Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 80 Issue 12 Pages 125324,1-125324,9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Transport properties in mesoscopic networks are investigated, where the strength of the (Rashba-type) spin-orbit coupling is tuned with external gate voltages. We analyze in detail to what extent the ideal behavior and functionality of some promising network-based devices are modified by random (spin-dependent) scattering events and by thermal fluctuations. It is found that although the functionality of these devices is obviously based on the quantum coherence of the transmitted electrons, there is a certain stability: moderate level of errors can be tolerated. For mesoscopic networks made of typical semiconductor materials, we found that when the energy distribution of the input carriers is narrow enough, the devices can operate close to their ideal limits even at relatively high temperature. As an example, we present results for two different networks: one that realizes a Stern-Gerlach device and another that simulates a spin quantum walker. Finally we propose a simple network that can act as a narrow band energy filter even in the presence of random scatterers.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos 000270383300091 Publication Date 2009-09-23  
  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 41 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:79230 Serial 3131  
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Author Massobrio, C.; Djimbi, D.M.; Matsubara, M.; Scipioni, R.; Boero, M. doi  openurl
  Title Stability of Ge12C48 and Ge20C40 heterofullerenes : a first principles molecular dynamics study Type A1 Journal article
  Year 2013 Publication Chemical physics letters Abbreviated Journal Chem Phys Lett  
  Volume 556 Issue Pages 163-167  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract By using first-principles molecular dynamics, we address the issue of structural stability for the C-60 Ge-m(m) family of doped heterofullerenes through a set of calculations targeting C48Ge12 and C40Ge20. Three kinds of theoretical tools are employed: (a) static structural optimization, (b) a bonding analysis based on localized orbitals (Wannier wavefunctions and centers) and (c) first-principles molecular dynamics at finite temperature. This latter tool allows concluding that the segregated form of C40Ge20 is less stable than its Si-based counterpart. However, the non-segregated forms of C40Ge20 and C40Si20 have comparable stabilities at finite temperatures. (C) 2012 Elsevier B. V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Amsterdam Editor  
  Language Wos 000313644100032 Publication Date 2012-11-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0009-2614; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.815 Times cited 3 Open Access  
  Notes Approved Most recent IF: 1.815; 2013 IF: 1.991  
  Call Number UA @ lucian @ c:irua:110085 Serial 3132  
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Author Marmorkos, I.K.; Matulis, A.; Peeters, F.M. openurl 
  Title Stability of the superconducting vortex structure around a magnetic dot Type A3 Journal article
  Year 1995 Publication Physics of low-dimensional structures Abbreviated Journal  
  Volume 10/11 Issue Pages 77-86  
  Keywords A3 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:13036 Serial 3133  
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Author Misko, V.R.; Fomin, V.M.; Devreese, J.T.; Moshchalkov, V.V. doi  openurl
  Title Stability of vortex-antivortex “molecules” in mesoscopic superconducting triangles Type A1 Journal article
  Year 2005 Publication Abbreviated Journal  
  Volume Issue Pages 191-196  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract We have revealed thermodynamically stable vortex-antivortex configurations in mesoscopic type I superconducting equilateral triangles. The revealed effect is explained by two factors: (i) vortex confinement in mesoscopic triangles and (ii) appearance of the vortex-antivortex repulsion in mesoscopic type I superconductor triangles in the vicinity of the dual point. The stability of the obtained solutions is examined as a function of material and external parameters – the Ginzburg-Landau parameter K and temperature – as well as a function of a distortion of the sample's shape. The vortex-antivortex. “molecule” turns out to be stable in a wide range of the parameters that makes it possible its experimental visualization.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000234363700030 Publication Date 2007-11-30  
  Series Editor Series Title Abbreviated Series Title 3rd International Symposium on Mesoscopic Superconductivity and, Spintronics, MAR 01-04, 2004, Atsug  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record; WoS full record;  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:103704 Serial 3134  
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Author Misko, V.R.; Fomin, V.M.; Devreese, J.T.; Moshchalkov, V.V. doi  openurl
  Title Stability of vortex-antivortex molecules in mesoscopic superconducting triangles Type A1 Journal article
  Year 2004 Publication Physica C-Superconductivity And Its Applications Abbreviated Journal Physica C  
  Volume 404 Issue Pages 251-255  
  Keywords A1 Journal article; Electron Microscopy for Materials Science (EMAT);  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Amsterdam Editor  
  Language Wos 000221211500046 Publication Date 2004-02-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 2 Open Access  
  Notes Approved Most recent IF: 1.404; 2004 IF: 1.072  
  Call Number UA @ lucian @ c:irua:49453 Serial 3135  
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Author Raveau, B.; Michel, C.; Hervieu, M.; Van Tendeloo, G.; Maignan, A. openurl 
  Title Stabilization of mercury-based superconductors by foreign cations Type A1 Journal article
  Year 1994 Publication Annales de chimie (1914) T2 – 4th North-African Materials Science Symposium (JMSM 94), NOV 23-24, 1994, CASABLANCA, MOROCCO Abbreviated Journal 4th North-African Materials Science Symposium (JMSM 94), NOV 23-24, 1994, CASABLANCA, MOROCCO  
  Volume 19 Issue 7-8 Pages 487-492  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The recently discovered superconducting mercury-based cuprates HgBa2Can-1CunO2n+2+delta have proved difficult to synthesize as single phases and are sensitive to environment (CO2, moisture). The present paper gives an overview of new series mercury based superconductors, whose stabilisation is based on the fact that a foreign cation with a higher valency than Hg(II) must be introduced in the mercury layers, in order to fill up partially the oxygen vacancies of these layers. By this method, several new series of superconductors involving strontium instead of barium with critical temperatures ranging from 27 K to 95 K have been isolated : Hg0.5Bi0.5Sr2-xLaxCuO4+delta, Hg(0.5)Bi(0.5)Sr(2)Ca(1-x)R(x)Cu(2)O(6+delta) (R Y, Nd, Pr), Pb0.7Hg0.3Sr2-xLaxCuO4+delta, Pb(0.7)Hg(0.3)Sr(2)Ca(1-x)R(x)Cu(2)O(6+delta) (R = Y, Nd) Hg(1-x)Pr(x)Sr(2)A(1-x')Pr(x') Cu2O6+delta (A = Sr, Ca), Pb0.7Hg0.3Sr2Cu2CO3O7 and Hg1-xCrxSr2CuO4+delta. The behaviour of the praseodymium cuprates that exhibit a rather sharp transition and reach a Tc of 85 K is especially discussed. A method to synthesize new ''Ba-Hg'' superconducting cuprates with the 1212 structure at normal pressure with a Tc up to 110 K is also presented.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Paris Editor  
  Language Wos A1994RC75300027 Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0151-9107 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 2 Open Access  
  Notes Approved PHYSICS, APPLIED 28/145 Q1 #  
  Call Number UA @ lucian @ c:irua:104472 Serial 3137  
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Author Geurts, R.; Milošević, M.V.; Peeters, F.M. url  doi
openurl 
  Title Stabilization of vortex-antivortex configurations in mesoscopic superconductors by engineered pinning Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 75 Issue Pages 184511,1-11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Lancaster, Pa Editor  
  Language Wos 000246890600093 Publication Date 2007-05-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 22 Open Access  
  Notes Approved Most recent IF: 3.836; 2007 IF: 3.172  
  Call Number UA @ lucian @ c:irua:69649 Serial 3139  
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Author Berdiyorov, G.R.; Neek-Amal, M.; Peeters, F.M.; van Duin, A.C.T. url  doi
openurl 
  Title Stabilized silicene within bilayer graphene : a proposal based on molecular dynamics and density-functional tight-binding calculations Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue 2 Pages 024107-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Freestanding silicene is predicted to display comparable electronic properties as graphene. However, the yet synthesized silicenelike structures have been only realized on different substrates which turned out to exhibit versatile crystallographic structures that are very different from the theoretically predicted buckled phase of freestanding silicene. This calls for a different approach where silicene is stabilized using very weakly interacting surfaces. We propose here a route by using graphene bilayer as a scaffold. The confinement between the flat graphene layers results in a planar clustering of Si atoms with small buckling, which is energetically unfavorable in vacuum. Buckled hexagonal arrangement of Si atoms similar to freestanding silicene is observed for large clusters, which, in contrast to Si atoms on metallic surfaces, is only very weakly van der Waals coupled to the graphene layers. These clusters are found to be stable well above room temperature. Our findings, which are supported by density-functional tight-binding calculations, show that intercalating bilayer graphene with Si is a favorable route to realize silicene.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Editor  
  Language Wos 000332226200002 Publication Date 2014-01-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 43 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation of the Flemish Government. M.N.-A. was supported by the EU-Marie Curie IIF postdoc Fellowship/299855. One of us (F. M. P.) acknowledges discussions with Professor Hongjun Gao. G. R. B acknowledges the support of the King Fahd University of Petroleum and Minerals, Saudi Arabia, under the TPRG131-CS-15 DSR project. A.C.T.vD acknowledges funding from AFOSR Grants No. FA9550-10-1-0563 and No. FA9550-11-1-0158. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:115829 Serial 3140  
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Author Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M. url  doi
openurl 
  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  
  Address  
  Corporate Author Thesis  
  Publisher (up) 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  
Permanent link to this record
 

 
Author Vodolazov, D.Y.; Peeters, F.M. doi  openurl
  Title Stable and metastable states in a mesoscopic superconducting “eight” loop in presence of an external magnetic field Type A1 Journal article
  Year 2004 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 400 Issue 3-4 Pages 165-170  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The stable and metastable states of different configurations of a mesoscopic loop in the form of an eight is studied in the presence of a magnetic field. We find that for certain configurations the current is equal to zero for any value of the magnetic field leading to a magnetic field independent superconducting state. The state with fixed phase circulation becomes unstable when the momentum of the superconducting electrons reaches a critical value. At this moment the kinetic energy of the superconducting condensate becomes of the same order as the potential energy of the Cooper pairs and it leads to an instability. Numerical analysis of the time-dependent Ginzburg-Landau equations shows that the absolute value of the order parameter changes gradually at the transition from a state with one phase circulation to another although the vorticity change occurs abruptly. (C) 2003 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Amsterdam Editor  
  Language Wos 000187726300010 Publication Date 2003-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.404 Times cited 5 Open Access  
  Notes Approved Most recent IF: 1.404; 2004 IF: 1.072  
  Call Number UA @ lucian @ c:irua:103757 Serial 3142  
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Author Canioni, R.; Roch-Marchal, C.; Sécheresse, F.; Horcajada, P.; Serre, C.; Hardi-Dan, M.; Férey, G.; Grenèche, J.-M.; Lefebvre, F.; Chang, J.-S.; Hwang, Y.-K.; Lebedev, O.; Turner, S.; Van Tendeloo, G. pdf  doi
openurl 
  Title Stable polyoxometalate insertion within the mesoporous metal organic framework MIL-100(Fe) Type A1 Journal article
  Year 2011 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 21 Issue 4 Pages 1226-1233  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Successful encapsulation of polyoxometalate (POM) within the framework of a mesoporous iron trimesate MIL-100(Fe) sample has been achieved by direct hydrothermal synthesis in the absence of fluorine. XRPD, 31P MAS NMR, IR, EELS, TEM and 57Fe Mössbauer spectrometry corroborate the insertion of POM within the cavities of the MOF. The experimental Mo/Fe ratio is 0.95, in agreement with the maximum theoretical amount of POM loaded within the pores of MIL-100(Fe), based on steric hindrance considerations. The POM-MIL-100(Fe) sample exhibits a pore volume of 0.373 cm3 g−1 and a BET surface area close to 1000 m2 g−1, indicating that small gas molecules can easily diffuse inside the cavities despite the presence of heavy phosphomolybdates. These latter contribute to the decrease in the overall surface area, due to the increase in molar weight, by 65%. Moreover, the resulting Keggin containing MIL-100(Fe) solid is stable in aqueous solution with no POM leaching even after more than 2 months. In addition, no exchange of the Keggin anions by tetrabutylammonium perchlorate in organic media has been observed.  
  Address  
  Corporate Author Thesis  
  Publisher (up) Place of Publication Cambridge Editor  
  Language Wos 000286110400042 Publication Date 2010-11-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9428;1364-5501; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 158 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:88642 Serial 3145  
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