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Author Partoens, B.; Peeters, F.M. openurl 
  Title (up) Density functional theory approach to artificial molecules Type P1 Proceeding
  Year 2001 Publication Abbreviated Journal  
  Volume Issue Pages 128-141  
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher 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 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:37300 Serial 636  
Permanent link to this record
 

 
Author Nematollahi, P. url  openurl
  Title (up) Density functional theory calculations for understanding gas conversion reactions on single metal atom embedded carbon-based nanocatalysts Type Doctoral thesis
  Year 2020 Publication Abbreviated Journal  
  Volume Issue Pages 173 p.  
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:169310 Serial 6481  
Permanent link to this record
 

 
Author Titantah, J.T.; Jorissen, K.; Lamoen, D. doi  openurl
  Title (up) Density functional theory calculations of energy-loss carbon near-edge spectra of small diameter armchair and zigzag nanotubes: core-hole, curvature, and momentum-transfer orientation effects Type A1 Journal article
  Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 69 Issue Pages 125406,1-11  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000221259000113 Publication Date 2004-03-18  
  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 28 Open Access  
  Notes Approved Most recent IF: 3.836; 2004 IF: 3.075  
  Call Number UA @ lucian @ c:irua:45626 Serial 637  
Permanent link to this record
 

 
Author Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. doi  openurl
  Title (up) Density functional theory study of interface interactions in hydroxyapatite/rutile composites for biomedical applications Type A1 Journal article
  Year 2017 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C  
  Volume 121 Issue 29 Pages 15687-15695  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract To gain insight into the nature of the adhesion mechanism between hydroxyapatite (HA) and rutile (rTiO(2)), the mutual affinity between their surfaces was systematically studied using density functional theory (DFT). We calculated both bulk and surface properties of HA and rTiO(2), and explored the interfacial bonding mechanism of amorphous HA (aHA) surface onto amorphous as well as stoichiometric and nonstoichiometric crystalline rTiO(2). Formation energies of bridging and subbridging oxygen vacancies considered in the rTiO(2)(110) surface were evaluated and compared with other theoretical and experimental results. The interfacial interaction was evaluated through the work of adhesion. For the aHA/rTiO(2)(110) interfaces, the work of adhesion is found to depend strongly on the chemical environment of the rTiO(2)(110) surface. Electronic analysis indicates that the charge transfer is very small in the case of interface formation between aHA and crystalline rTiO(2)(110). In contrast, significant charge transfer occurs between aHA and amorphous rTiO(2) (aTiO(2)) slabs during the formation of the interface. Charge density difference (CDD) analysis indicates that the dominant interactions in the interface have significant covalent character, and in particular the Ti-O and Ca-O bonds. Thus, the obtained results reveal that the aHA/aTiO(2) interface shows a more preferable interaction and is thermodynamically more stable than other interfaces. These results are particularly important for improving the long-term stability of HA-based implants.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Washington, D.C. Editor  
  Language Wos 000406726200022 Publication Date 2017-06-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.536 Times cited 5 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 4.536  
  Call Number UA @ lucian @ c:irua:145195 Serial 4715  
Permanent link to this record
 

 
Author Grubova, I.Y. url  openurl
  Title (up) Density functional theory study of interface interactions in hydroxyapatite/rutile composites for biomedical applications Type Doctoral thesis
  Year 2018 Publication Abbreviated Journal  
  Volume Issue Pages 251 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  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 no  
  Call Number UA @ admin @ c:irua:158087 Serial 7760  
Permanent link to this record
 

 
Author Peeters, F.M.; Vasilopoulos, P.; Shi, J. pdf  doi
openurl 
  Title (up) Density of states and Fermi level of a periodically modulated two-dimensional electron gas Type A1 Journal article
  Year 2002 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume 14 Issue 38 Pages 8803-8816  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Explicit analytic expressions are obtained for the density of states D(E) and Fermi energy E-F of a two-dimensional electron gas in the presence of a weak and periodic unidirectional electric or magnetic modulation and of a uniform perpendicular magnetic field B. The Landau levels broaden into bands and their width, proportional to the modulation strength, oscillates with B and gives rise to Weiss oscillations in D(E), E-F and the transport coefficients. When both electric and magnetic modulations are present the position of the resulting oscillations depends on the ratio delta between the two modulation strengths. When the modulations are out of phase there is no shift in the position of the oscillations when delta varies and for a particular value of delta the oscillations are suppressed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000178678400008 Publication Date 2002-09-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 8 Open Access  
  Notes Approved Most recent IF: 2.649; 2002 IF: 1.775  
  Call Number UA @ lucian @ c:irua:104140 Serial 640  
Permanent link to this record
 

 
Author Yang, C.H.; Peeters, F.M.; Xu, W. url  doi
openurl 
  Title (up) Density of states and magneto-optical conductivity of graphene in a perpendicular magnetic field Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 82 Issue 20 Pages 205428  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The density of states (DOS) and the optical conductivity of graphene is calculated in the presence of a perpendicular magnetic field and where scattering on charged and short-range impurities is included. The standard Kubo formula is employed where the self-energy induced by impurity scattering and the Green's function are calculated self-consistently including inter-Landau level (LL) coupling and screening effects. It is found that the scattering from those two types of impurities results in a symmetric LL broadening and asymmetric inter-LL coupling renormalizes the LL positions to lower energy. The peak position and intensity of the magneto-optical conductivity depends on the filling factor and the broadened DOS. Good agreement is found with recent cyclotron resonance measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000284400700003 Publication Date 2010-11-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 39 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China under Grant No. 10804053, the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the Chinese Academy of Sciences and Department of Science and Technology of Yunnan Province. ; Approved Most recent IF: 3.836; 2010 IF: 3.774  
  Call Number UA @ lucian @ c:irua:95543 Serial 641  
Permanent link to this record
 

 
Author Titantah, J.T.; Lamoen, D.; Schowalter, M.; Rosenauer, A. pdf  doi
openurl 
  Title (up) Density-functional theory calculations of the electron energy-loss near-edge structure of Li-intercalated graphite Type A1 Journal article
  Year 2009 Publication Carbon Abbreviated Journal Carbon  
  Volume 47 Issue 10 Pages 2501-2510  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We have studied the structural and electronic properties of lithium-intercalated graphite (LIG) for various Li content. Atomic relaxation shows that Li above the center of the carbon hexagon in a AAAA stacked graphite is the only stable Li configuration in stage 1 intercalated graphite. Lithium and Carbon 1s energy-loss near-edge structure (ELNES) calculations are performed on the Li-intercalated graphite using the core-excited density-functional theory formulation. Several features of the Li 1s ELNES are correlated with reported experimental features. The ELNES spectra of Li is found to be electron beam orientation sensitive and this property is used to assign the origin of the various Li 1s ELNES features. Information about core-hole screening by the valence electrons and charge transfer in the LIG systems is obtained from the C 1s ELNES and valence charge density difference calculations, respectively.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000268429000025 Publication Date 2009-05-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 12 Open Access  
  Notes Fwo G.0425.05; Esteem 026019 Approved Most recent IF: 6.337; 2009 IF: 4.504  
  Call Number UA @ lucian @ c:irua:77973 Serial 638  
Permanent link to this record
 

 
Author Xu, W.; Peeters, F.M.; Lu, T.C. url  doi
openurl 
  Title (up) Dependence of resistivity on electron density and temperature in graphene Type A1 Journal article
  Year 2009 Publication Physical review : B : solid state Abbreviated Journal Phys Rev B  
  Volume 79 Issue 7 Pages 073403,1-073403,4  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract On the basis of the momentum-balance equation derived from the Boltzmann equation in which electron interactions with impurities and acoustic and optic phonons are included, we examine the dependence of the resistivity in graphene on temperature and electron density. Simple analytical expressions for the different contributions to the resistivity are obtained. Our results reproduce recent experimental findings and we are able to understand the different temperature dependence of the resistivity for low and high density samples.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000263815800013 Publication Date 2009-02-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 31 Open Access  
  Notes Approved Most recent IF: 3.836; 2009 IF: 3.475  
  Call Number UA @ lucian @ c:irua:76222 Serial 642  
Permanent link to this record
 

 
Author Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M. url  doi
openurl 
  Title (up) Dependence of superconducting properties on the size and shape of a nanoscale superconductor: from nanowire to film Type A1 Journal article
  Year 2007 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 76 Issue Pages 024511,1-6  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000248496200104 Publication Date 2007-07-18  
  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 54 Open Access  
  Notes Fwo-Vi; Iap; Bof-Top Approved Most recent IF: 3.836; 2007 IF: 3.172  
  Call Number UA @ lucian @ c:irua:69655 Serial 643  
Permanent link to this record
 

 
Author Çakir, D.; Peeters, F.M. url  doi
openurl 
  Title (up) Dependence of the electronic and transport properties of metal-MoSe2 interfaces on contact structures Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue 24 Pages 245403  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Transition metal dichalcogenides (TMDs) are considered as promising candidates for next generation of electronic and optoelectronic devices. To make use of these materials, for instance in field effect transistor applications, it is mandatory to know the detailed properties of contacts of such TMDs with metal electrodes. Here, we investigate the role of the contact structure on the electronic and transport properties of metal-MoSe2 interfaces. Two different contact types, namely face and edge contacts, are studied. We consider both low (Sc) and high (Au) work function metals in order to thoroughly elucidate the role of the metal work function and the type of metal. First principles plane wave calculations and transport calculations based on nonequilibrium Green's function formalism reveal that the contact type has a large impact on the electronic and transport properties of metal-MoSe2 interfaces. For the Sc electrode, the Schottky barrier heights are around 0.25 eV for face contact and bigger than 0.6 eV for edge contact. For the Au case, we calculate very similar barrier heights for both contact types with an average value of 0.5 eV. Furthermore, while the face contact is found to be highly advantageous as compared to the edge contact for the Sc electrode, the latter contact becomes a better choice for the Au electrode. Our findings provide guidelines for the fabrication of TMD-based devices.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000336917700004 Publication Date 2014-06-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 39 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid 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. D. C. is supported by a FWO Pegasus-short Marie Curie Fellowship. ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:117750 Serial 644  
Permanent link to this record
 

 
Author Ghorbanfekr-Kalashami, H.; Vasu, K.S.; Nair, R.R.; Peeters, F.M.; Neek-Amal, M. url  doi
openurl 
  Title (up) Dependence of the shape of graphene nanobubbles on trapped substance Type A1 Journal article
  Year 2017 Publication Nature communications Abbreviated Journal Nat Commun  
  Volume 8 Issue 8 Pages 15844  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Van der Waals (vdW) interaction between two-dimensional crystals (2D) can trap substances in high pressurized (of order 1 GPa) on nanobubbles. Increasing the adhesion between the 2D crystals further enhances the pressure and can lead to a phase transition of the trapped material. We found that the shape of the nanobubble can depend critically on the properties of the trapped substance. In the absence of any residual strain in the top 2D crystal, flat nanobubbles can be formed by trapped long hydrocarbons (that is, hexadecane). For large nanobubbles with radius 130 nm, our atomic force microscopy measurements show nanobubbles filled with hydrocarbons (water) have a cylindrical symmetry (asymmetric) shape which is in good agreement with our molecular dynamics simulations. This study provides insights into the effects of the specific material and the vdW pressure on the microscopic details of graphene bubbles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000403417500001 Publication Date 2017-06-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited 44 Open Access  
  Notes We acknowledge fruitful discussion with Irina Grigorieva and Andre K. Geim. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program, the Royal Society and the Engineering and Physical Sciences Research Council, UK (EP/K016946/1). M.N.-A. was supported by Iran National Science Foundation (INSF). Approved Most recent IF: 12.124  
  Call Number CMT @ cmt @ c:irua:144189 Serial 4580  
Permanent link to this record
 

 
Author Baelus, B.J.; Peeters, F.M. pdf  doi
openurl 
  Title (up) Dependence of the vortex configuration on the geometry of mesoscopic flat samples Type A1 Journal article
  Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 65 Issue 10 Pages 104515-12  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The influence of the geometry of a thin superconducting sample on the penetration of the magnetic field lines and the arrangement of vortices are investigated theoretically. We compare the vortex state of superconducting disks, squares, and triangles with the same surface area having nonzero thickness. The coupled nonlinear Ginzburg-Landau equations are solved self-consistently and the important demagnetization effects are taken into account. We calculate and compare quantities such as the free energy, the magnetization, the Cooper-pair density, the magnetic field distribution, and the superconducting current density for the three geometries. For given vorticity the vortex lattice is different for the three geometries, i.e., it tries to adapt to the geometry of the sample. This also influences the stability range of the different vortex states. For certain magnetic field ranges we found a coexistence of a giant vortex placed in the center and single vortices towards the corners of the sample. The H-T phase diagram is obtained for the three investigated geometries and we found that the critical magnetic field is substantially enhanced for the triangle geometry.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000174548300111 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 189 Open Access  
  Notes Approved Most recent IF: 3.836; 2002 IF: NA  
  Call Number UA @ lucian @ c:irua:102833 Serial 645  
Permanent link to this record
 

 
Author Stopa, T.; Szafran, B.; Tavernier, M.B.; Peeters, F.M. url  doi
openurl 
  Title (up) Dependence of the vortex structure in quantum dots on the range of the inter-electron interaction Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 73 Issue 7 Pages 075315,1-9  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000235668900075 Publication Date 2006-02-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 7 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ c:irua:57002 Serial 646  
Permanent link to this record
 

 
Author Garzia Trulli, M.; Claes, N.; Pype, J.; Bals, S.; Baert, K.; Terryn, H.; Sardella, E.; Favia, P.; Vanhulsel, A. pdf  url
doi  openurl
  Title (up) Deposition of aminosilane coatings on porous Al2O3microspheres by means of dielectric barrier discharges Type A1 Journal article
  Year 2017 Publication Plasma processes and polymers Abbreviated Journal Plasma Process Polym  
  Volume 14 Issue 14 Pages 1600211  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract Advances in the synthesis of porous microspheres and in their functionalization are increasing the interest in applications of alumina. This paper deals with coatings plasma deposited from 3-aminopropyltriethoxysilane by means of dielectric barrier discharges on alumina porous microspheres, shaped by a vibrational droplet coagulation technique. Aims of the work are the functionalization of the particles with active amino groups, as well as the evaluation of their surface coverage and of the penetration of the coatings into their pores. A multi-diagnostic approach was used for the chemical/morphological characterization of the particles. It was found that 5 min exposure to plasma discharges promotes the deposition of homogeneous coatings onto the microspheres and within their pores, down to 1 μm.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000410773200003 Publication Date 2017-01-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1612-8850 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.846 Times cited 8 Open Access OpenAccess  
  Notes The technical assistance of the VITO staff (Materials Dpt.) is gratefully acknowledged, especially D. Havermans, E. Van Hoof, R. Kemps (SEM-EDX), and A. De Wilde (Hg Porosimetry). Drs. S. Mullens and G. Scheltjens are kindly acknowledged for constructive discussions. Strategic Initiative Materials in Flanders (SIM) is gratefully acknowledged for its financial support. This research was carried out in the framework of the SIM-TRAP program (Tools for rational processing of nano-particles: controlling and tailoring nanoparticle based or nanomodified particle based materials). N. Claes and S. Bals acknowledge financial support from European Research Council (ERC Starting Grant #335078-COLOURATOM). (ROMEO:white; preprint:; postprint:restricted ; pdfversion:cannot); saraecas; ECAS_Sara; Approved Most recent IF: 2.846  
  Call Number EMAT @ emat @ c:irua:139511UA @ admin @ c:irua:139511 Serial 4342  
Permanent link to this record
 

 
Author Injuk, J.; Van Grieken, R.; de Leeuw, G. doi  openurl
  Title (up) Deposition of atmospheric trace elements into the North Sea: coastal, ship, platform measurements and model predictions Type A1 Journal article
  Year 1998 Publication Atmospheric environment : an international journal Abbreviated Journal  
  Volume 32 Issue Pages 3011-3025  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000075270300013 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1352-2310 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:20966 Serial 7761  
Permanent link to this record
 

 
Author Meynen, V.; Cool, P.; Vansant, E.F.; Kortunov, P.; Grinberg, F.; Kärger, J.; Mertens, M.; Lebedev, O.I.; Van Tendeloo, G. pdf  doi
openurl 
  Title (up) Deposition of vanadium silicalite-1 nanoparticles on SBA-15 materials: structural and transport characteristics of SBA-VS-15 Type A1 Journal article
  Year 2007 Publication Microporous and mesoporous materials Abbreviated Journal Micropor Mesopor Mat  
  Volume 99 Issue 1/2 Pages 14-22  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000243845200003 Publication Date 2006-10-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1387-1811; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.615 Times cited 23 Open Access  
  Notes FWO; GOA; Inside-Pores NoE (FP-EU) Approved Most recent IF: 3.615; 2007 IF: 2.210  
  Call Number UA @ lucian @ c:irua:61567 Serial 647  
Permanent link to this record
 

 
Author van Straaten, M.; Butaye, L.; Gijbels, R. openurl 
  Title (up) Depth profiling of coated steel wires by GDMS Type P3 Proceeding
  Year 1992 Publication Abbreviated Journal  
  Volume Issue Pages 629-632  
  Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Wiley Place of Publication Chichester 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 CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #  
  Call Number UA @ lucian @ c:irua:4207 Serial 648  
Permanent link to this record
 

 
Author Alfeld, M.; Vekemans, B.; Janssens, K.; Falkenberg, G.; Broekaert, J.A.C.; Gao, N.; Gibson, D. openurl 
  Title (up) Depth profiling of multilayered systems by means of confocal μ-XRF in the laboratory an at HASYLAB BL L: a comparison Type H3 Book chapter
  Year 2007 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:64598 Serial 5572  
Permanent link to this record
 

 
Author Geuens, I.; Gijbels, R.; Jacob, W.; Verbeeck, A.; de Keyzer, R. openurl 
  Title (up) Depth profiling of silver halide microcrystals Type P3 Proceeding
  Year 1992 Publication Abbreviated Journal  
  Volume Issue Pages 479-482  
  Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Wiley Place of Publication Chichester 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 CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #  
  Call Number UA @ lucian @ c:irua:4202 Serial 649  
Permanent link to this record
 

 
Author Geuens, I.; Gijbels, R.; Jacob, W. openurl 
  Title (up) Depth profiling of silver halide microcrystals Type P3 Proceeding
  Year 1991 Publication Abbreviated Journal  
  Volume Issue Pages 479-482  
  Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Wiley Place of Publication Chichester Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume 8 Series Issue Edition  
  ISSN ISBN Additional Links UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:1568 Serial 650  
Permanent link to this record
 

 
Author Ignatova, V.A.; Conard, T.; Möller, W.; Vandervorst, W.; Gijbels, R. doi  openurl
  Title (up) Depth profiling of ZrO2/SiO2/Si stacks : a TOF-SIMS and computer simulation study Type A1 Journal article
  Year 2004 Publication Applied surface science Abbreviated Journal Appl Surf Sci  
  Volume 231/232 Issue Pages 603-608  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract This study is dedicated to a better understanding of the processes occurring under ion bombardment of ultra-thin ZrO2/SiO2/Si gate dielectric stacks. Complex-shaped depth profiles were obtained by using TOF-SIMS with dual beam (500 eV for sputtering and 10 keV for analysis) Ar+ ions. The SIMS intensities of all the elements depend critically on the amount of oxygen at any moment of the sputtering process. Increased intensity is observed at the surface and at the ZrO2/SiO2 interface. A long tail of the Zr signal is present in the Si substrate, even after the second (SiO2/Si) interface, and a double bump structure in the Zr-90 and ZrO dimer is observed, which is more pronounced with increasing thickness of the interfacial SiO2 layer. Computer simulations using the dynamic Monte Carlo code (TRIDYN) are performed in order to distinguish the ion bombardment-induced effects from changes in the ionization degree. The original code is extended with simple models for the ionization mechanism and for the molecular yield during sputtering. Oxygen preferential sputtering at the surface and ballistic transport of Zr towards and through the interface are clearly demonstrated, but there is also evidence that due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. (C) 2004 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000222427700118 Publication Date 2004-05-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited 4 Open Access  
  Notes Approved Most recent IF: 3.387; 2004 IF: 1.497  
  Call Number UA @ lucian @ c:irua:51976 Serial 651  
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Author Alania, M.; Altantzis, T.; De Backer, A.; Lobato, I.; Bals, S.; Van Aert, S. pdf  url
doi  openurl
  Title (up) Depth sectioning combined with atom-counting in HAADF STEM to retrieve the 3D atomic structure Type A1 Journal article
  Year 2016 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 177 Issue 177 Pages 36-42  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Aberration correction in scanning transmission electron microscopy (STEM) has greatly improved the lateral and depth resolution. When using depth sectioning, a technique during which a series of images is recorded at different defocus values, single impurity atoms can be visualised in three dimensions. In this paper, we investigate new possibilities emerging when combining depth sectioning and precise atom-counting in order to reconstruct nanosized particles in three dimensions. Although the depth resolution does not allow one to precisely locate each atom within an atomic column, it will be shown that the depth location of an atomic column as a whole can be measured precisely. In this manner, the morphology of a nanoparticle can be reconstructed in three dimensions. This will be demonstrated using simulations and experimental data of a gold nanorod.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000401219800006 Publication Date 2016-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.843 Times cited 13 Open Access OpenAccess  
  Notes The authors acknowledge financial support from the European Union under the Seventh Framework Program under a contract for an Integrated Infrastructure Initiative. Reference No. 312483-ESTEEM2. S. Bals acknowledges funding from the European Research Council (Starting Grant No. COLOURATOMS 335078). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0374.13N, G.0369.15N and G.0368.15N) and a post-doctoral grant to A. De Backer and T. Altantzis. The authors are grateful to Professor Luis M. Liz-Marzán for providing the sample.; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); Approved Most recent IF: 2.843  
  Call Number EMAT @ emat @ c:irua:138015UA @ admin @ c:irua:138015 Serial 4316  
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Author Jalabert, D.; Pelloux-Gervais, D.; Béché, A.; Hartmann, J.M.; Gergaud, P.; Rouvière, J.L.; Canut, B. doi  openurl
  Title (up) Depth strain profile with sub-nm resolution in a thin silicon film using medium energy ion scattering Type A1 Journal article
  Year 2012 Publication Physica Status Solidi A-Applications And Materials Science Abbreviated Journal Phys Status Solidi A  
  Volume 209 Issue 2 Pages 265-267  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The depth strain profile in silicon from the Si (001) substrate to the surface of a 2 nm thick Si/12 nm thick SiGe/bulk Si heterostructure has been determined by medium energy ion scattering (MEIS). It shows with sub-nanometer resolution and high strain sensitivity that the thin Si cap presents residual compressive strain caused by Ge diffusion coming from the fully strained SiGe layer underneath. The strain state of the SiGe buffer have been checked by X-ray diffraction (XRD) and nano-beam electron diffraction (NBED) measurements.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000303382700005 Publication Date 2011-11-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1862-6300; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.775 Times cited 3 Open Access  
  Notes Approved Most recent IF: 1.775; 2012 IF: 1.469  
  Call Number UA @ lucian @ c:irua:136430 Serial 4497  
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Author Kuo, C.-T.; Lin, S.-C.; Ghiringhelli, G.; Peng, Y.; De Luca, G.M.; Di Castro, D.; Betto, D.; Gehlmann, M.; Wijnands, T.; Huijben, M.; Meyer-Ilse, J.; Gullikson, E.; Kortright, J.B.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Gerber, T.; Balestrino, G.; Brookes, N.B.; Braicovich, L.; Fadley, C.S. url  doi
openurl 
  Title (up) Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic-ferromagnet interface through standing wave excitation Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B  
  Volume 98 Issue 23 Pages 235146  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We demonstrate that combining standing wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide heterostructures. SW-RIXS has been applied to multilayer heterostructures consisting of a superconductor La1.85Sr0.15CuO4 (LSCO) and a half-metallic ferromagnet La0.67Sr0.33MnO3 (LSMO). Easily observable SW effects on the RIXS excitations were found in these LSCO/LSMO multilayers. In addition, we observe different depth distribution of the RIXS excitations. The magnetic excitations are found to arise from the LSCO/LSMO interfaces, and there is also a suggestion that one of the dd excitations comes from the interfaces. SW-RIXS measurements of correlated-oxide and other multilayer heterostructures should provide unique layer-resolved insights concerning their orbital and magnetic excitations, as well as a challenge for RIXS theory to specifically deal with interface effects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000454160800004 Publication Date 2018-12-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 5 Open Access  
  Notes J.V. and N.G. acknowledge ˝ funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. Approved Most recent IF: 3.836  
  Call Number UA @ admin @ c:irua:156784 Serial 5363  
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Author Berdiyorov, G.; Harrabi, K.; Mehmood, U.; Peeters, F.M.; Tabet, N.; Zhang, J.; Hussein, I.A.; McLachlan, M.A. doi  openurl
  Title (up) Derivatization and diffusive motion of molecular fullerenes : ab initio and atomistic simulations Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 118 Issue 118 Pages 025101  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Using first principles density functional theory in combination with the nonequilibrium Green's function formalism, we study the effect of derivatization on the electronic and transport properties of C-60 fullerene. As a typical example, we consider [6,6]-phenyl-C-61-butyric acid methyl ester (PCBM), which forms one of the most efficient organic photovoltaic materials in combination with electron donating polymers. Extra peaks are observed in the density of states (DOS) due to the formation of new electronic states localized at/near the attached molecule. Despite such peculiar behavior in the DOS of an isolated molecule, derivatization does not have a pronounced effect on the electronic transport properties of the fullerene molecular junctions. Both C-60 and PCBM show the same response to finite voltage biasing with new features in the transmission spectrum due to voltage induced delocalization of some electronic states. We also study the diffusive motion of molecular fullerenes in ethanol solvent and inside poly(3-hexylthiophene) lamella using reactive molecular dynamics simulations. We found that the mobility of the fullerene reduces considerably due to derivatization; the diffusion coefficient of C-60 is an order of magnitude larger than the one for PCBM. (c) 2015 AIP Publishing LLC.  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos 000357961000036 Publication Date 2015-07-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.068 Times cited 2 Open Access  
  Notes ; K.H., U.M. and I.A.H. would like to thank the National Science, Technology and Innovation Program of KACST for funding this research under Project No. 12-ENE2379-04. They also acknowledge support from KFUPM and Research Institute. ; Approved Most recent IF: 2.068; 2015 IF: 2.183  
  Call Number c:irua:127098 Serial 652  
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Author Parrilla, M.; Montiel, F.N.; Van Durme, F.; De Wael, K. pdf  url
doi  openurl
  Title (up) Derivatization of amphetamine to allow its electrochemical detection in illicit drug seizures Type A1 Journal article
  Year 2021 Publication Sensors And Actuators B-Chemical Abbreviated Journal Sensor Actuat B-Chem  
  Volume 337 Issue Pages 129819  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Amphetamine (AMP) is posing critical issues in our society being one of the most encountered drugs-of-abuse in the current illicit market. The continuous drug production in Europe urges the development of new tools for the rapid on-site determination of illicit drugs such as AMP. However, the direct electrochemical detection of AMP is a challenge because the molecule is non-electroactive at the potential window of conventional graphite SPEs. For this reason, a derivatization step is needed to convert the primary amine into an electroactive oxidizable group. Herein, the rapid electrochemical detection of AMP in seized samples based on the derivatization by 1,2-naphthoquinone-4-sulfonate (NQS) is presented by using square wave voltammetry (SWV) at graphite screen-printed electrodes (SPEs). First, a detailed optimization of the key parameters and the analytical performance is provided. The method showed a sensitivity of 7.9 µA mM-1 within a linear range from 50 to 500 µM, a limit of detection of 22.2 µM, and excellent reproducibility (RSD = 4.3%, n = 5 at 500 µM). Subsequently, the effect of NQS on common cutting agents for the selective detection of AMP is addressed. The comparison of the method with drugs-of-abuse containing secondary and tertiary amines confirms the selectivity of the method. Finally, the concept is applied to quantify AMP in 20 seized samples provided by forensic laboratories, exhibiting an accuracy of 97.3 ± 10.5%. Overall, the fast analysis of samples with the electrochemical profiling of derivatized AMP exhibits a straightforward on-site screening aiming to facilitate the tasks of law enforcement agents in the field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000640386500001 Publication Date 2021-03-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.401 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.401  
  Call Number UA @ admin @ c:irua:176353 Serial 7762  
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Author Bogaerts, A.; Gijbels, R. doi  openurl
  Title (up) Description of the argon-excited levels in a radio-frequency and direct current glow discharge Type A1 Journal article
  Year 2000 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B  
  Volume 55 Issue Pages 263-278  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Oxford Editor  
  Language Wos 000086340100005 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0584-8547; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.241 Times cited 24 Open Access  
  Notes Approved Most recent IF: 3.241; 2000 IF: 2.608  
  Call Number UA @ lucian @ c:irua:28324 Serial 653  
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Author De Bie, C.; Martens, T.; van Dijk, J.; van der Mullen, J.J.A.M.; Bogaerts, A. openurl 
  Title (up) Description of the plasma chemistry in an atmospheric pressure CH4 dielectric barrier discharge using a two dimensional fluid model Type P1 Proceeding
  Year 2009 Publication Abbreviated Journal  
  Volume Issue Pages 13-16  
  Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication S.l. 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; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:85692 Serial 654  
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Author Bogaerts, A.; van Straaten, M.; Gijbels, R. doi  openurl
  Title (up) Description of the thermalization process of the sputtered atoms in a glow discharge using a 3-dimensional Monte Carlo method Type A1 Journal article
  Year 1995 Publication Journal of applied physics Abbreviated Journal J Appl Phys  
  Volume 77 Issue Pages 1868-1874  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor  
  Language Wos A1995RC30300006 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.183 Times cited 87 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:12270 Serial 655  
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