toggle visibility
Search within Results:
Display Options:

Select All    Deselect All
 |   | 
Details
   print
  Records Links
Author Alania, M.; Lobato Hoyos, I.P.; Van Aert, S. pdf  url
doi  openurl
  Title (down) Frozen lattice and absorptive model for high angle annular dark field scanning transmission electron microscopy : a comparison study in terms of integrated intensity and atomic column position measurement Type A1 Journal article
  Year 2018 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 184 Issue A Pages 188-198  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('In this paper, both the frozen lattice (FL) and the absorptive potential (AP) approximation models are compared in terms of the integrated intensity and the precision with which atomic columns can be located from an image acquired using high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM). The comparison is made for atoms of Cu, Ag, and Au. The integrated intensity is computed for both an isolated atomic column and an atomic column inside an FCC structure. The precision has been computed using the so-called Cramer-Rao Lower Bound (CRLB), which provides a theoretical lower bound on the variance with which parameters can be estimated. It is shown that the AP model results into accurate measurements for the integrated intensity only for small detector ranges under relatively low angles and for small thicknesses. In terms of the attainable precision, both methods show similar results indicating picometer range precision under realistic experimental conditions. (C) 2017 Elsevier B.V. All rights reserved.'));  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000415650200022 Publication Date 2017-09-12  
  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 Open Access OpenAccess  
  Notes ; 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). A. Rosenauer is acknowledged for providing the STEMsim program. ; Approved Most recent IF: 2.843  
  Call Number UA @ lucian @ c:irua:147658 Serial 4877  
Permanent link to this record
 

 
Author Cabral, L.R.E.; Baelus, B.J.; Peeters, F.M. url  doi
openurl 
  Title (down) From vortex molecules to the Abrikosov lattice in thin mesoscopic superconducting disks Type A1 Journal article
  Year 2004 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 70 Issue Pages 144523,1-16  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000224855600084 Publication Date 2004-10-30  
  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 71 Open Access  
  Notes Approved Most recent IF: 3.836; 2004 IF: 3.075  
  Call Number UA @ lucian @ c:irua:69392 Serial 1291  
Permanent link to this record
 

 
Author Leroux, C.; Nihoul, G.; Van Tendeloo, G. doi  openurl
  Title (down) From VO2(B) to VO2(R): theoretical structures of VO2 polymorphs and in situ electron microscopy Type A1 Journal article
  Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 57 Issue 9 Pages 5111-5121  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000072358600037 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 122 Open Access  
  Notes Approved Most recent IF: 3.836; 1998 IF: NA  
  Call Number UA @ lucian @ c:irua:25658 Serial 1290  
Permanent link to this record
 

 
Author Ke, X. openurl 
  Title (down) From top-down to bottom-up : from carbon nanotubes to nanodevices Type Doctoral thesis
  Year 2010 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen 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 Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:87408 Serial 1289  
Permanent link to this record
 

 
Author Lexcellent, C.; Vivet, A.; Bouvet, C.; Blanc, P.; Satto, C.; Schryvers, D. openurl 
  Title (down) From the lattice measurements of the austenite and the martensite cells to the macroscopic mechanical behavior of shape memory alloys Type A1 Journal article
  Year 2001 Publication Journal de physique: 4 Abbreviated Journal J Phys Iv  
  Volume 11 Issue 5 Pages 317-324  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Les Ulis Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1155-4339 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:48388 Serial 1288  
Permanent link to this record
 

 
Author Rouwenhorst, K.H.R.; Jardali, F.; Bogaerts, A.; Lefferts, L. url  doi
openurl 
  Title (down) From the Birkeland–Eyde process towards energy-efficient plasma-based NOXsynthesis: a techno-economic analysis Type A1 Journal article
  Year 2021 Publication Energy & Environmental Science Abbreviated Journal Energ Environ Sci  
  Volume 14 Issue 5 Pages 2520-2534  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma-based NO<sub>X</sub>synthesis<italic>via</italic>the Birkeland–Eyde process was one of the first industrial nitrogen fixation methods. However, this technology never played a dominant role for nitrogen fixation, due to the invention of the Haber–Bosch process. Recently, nitrogen fixation by plasma technology has gained significant interest again, due to the emergence of low cost, renewable electricity. We first present a short historical background of plasma-based NO<sub>X</sub>synthesis. Thereafter, we discuss the reported performance for plasma-based NO<sub>X</sub>synthesis in various types of plasma reactors, along with the current understanding regarding the reaction mechanisms in the plasma phase, as well as on a catalytic surface. Finally, we benchmark the plasma-based NO<sub>X</sub>synthesis process with the electrolysis-based Haber–Bosch process combined with the Ostwald process, in terms of the investment cost and energy consumption. This analysis shows that the energy consumption for NO<sub>X</sub>synthesis with plasma technology is almost competitive with the commercial process with its current best value of 2.4 MJ mol N<sup>−1</sup>, which is required to decrease further to about 0.7 MJ mol N<sup>−1</sup>in order to become fully competitive. This may be accomplished through further plasma reactor optimization and effective plasma–catalyst coupling.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000639255800001 Publication Date 2021-03-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1754-5692 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 29.518 Times cited Open Access OpenAccess  
  Notes H2020 European Research Council; Horizon 2020, 810182 ; Ministerie van Economische Zaken en Klimaat; This research was supported by the TKI-Energie from Toeslag voor Topconsortia voor Kennis en Innovatie (TKI) from the Ministry of Economic Affairs and Climate Policy, the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023), and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No 810182 – SCOPE ERC Synergy project). Approved Most recent IF: 29.518  
  Call Number PLASMANT @ plasmant @c:irua:178173 Serial 6763  
Permanent link to this record
 

 
Author Anibas, C.; Schneidewind, U.; Vandersteen, G.; Joris, I.; Seuntjens, P.; Batelaan, O. pdf  doi
openurl 
  Title (down) From streambed temperature measurements to spatial-temporal flux quantification : using the LPML method to study groundwater-surface water interaction Type A1 Journal article
  Year 2016 Publication Hydrological processes Abbreviated Journal  
  Volume 30 Issue 2 Pages 203-216  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Knowledge on groundwater-surface water interaction and especially on exchange fluxes between streams and aquifers is an important prerequisite for the study of transport and fate of contaminants and nutrients in the hyporheic zone. One possibility to quantify groundwater-surface water exchange fluxes is by using heat as an environmlental tracer. Modern field equipment including multilevel temperature sticks and the novel open-source analysis tool LPML make this technique ever more attractive. The recently developed LPML method solves the one-dimensional fluid flow and heat transport equation by combining a local polynomial method with a maximum likelihood estimator. In this study, we apply the LPML method on field data to quantify the spatial and temporal variability of vertical fluxes and their uncertainties from temperature-time series measured in a Belgian lowland stream. Over several months, temperature data were collected with multilevel temperature sticks at the streambed top and at six depths for a small stream section. Long-term estimates show a range from gaining fluxes of -291 mm day(-1) to loosing fluxes of 12 mm day(-1); average seasonal fluxes ranged from -138 mm day(-1) in winter to -16 mm day(-1) in summer. With our analyses, we could determine a high spatial and temporal variability of vertical exchange fluxes for the investigated stream section. Such spatial and temporal variability should be taken into account in biogeochemical cycling of carbon, nutrients and metals and in fate analysis of contaminant plumes. In general, the stream section was gaining during most of the observation period. Two short-term high stream stage events, seemingly caused by blockage of the stream outlet, led to a change in flow direction from gaining to losing conditions. We also found more discharge occurring at the outer stream bank than at the inner one indicating a local flow-through system. With the conducted analyses, we were able to advance our understanding of the regional groundwater flow system. Copyright (C) 2015 John Wiley & Sons, Ltd.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000369164900004 Publication Date 2015-06-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0885-6087 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:131587 Serial 7986  
Permanent link to this record
 

 
Author Çakir, D.; Otalvaro, D.M.; Brocks, G. url  doi
openurl 
  Title (down) From spin-polarized interfaces to giant magnetoresistance in organic spin valves Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 89 Issue 11 Pages 115407  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We calculate the spin-polarized electronic transport through a molecular bilayer spin valve from first principles, and establish the link between the magnetoresistance and the spin-dependent interactions at the metal-molecule interfaces. The magnetoresistance of a Fe vertical bar bilayer-C-70 vertical bar Fe spin valve attains a high value of 70% in the linearresponse regime, but it drops sharply as a function of the applied bias. The current polarization has a value of 80% in linear response and also decreases as a function of bias. Both these trends can be modeled in terms of prominent spin-dependent Fe vertical bar C-70 interface states close to the Fermi level, unfolding the potential of spinterface science to control and optimize spin currents.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000332504900007 Publication Date 2014-03-10  
  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 14 Open Access  
  Notes ; ; Approved Most recent IF: 3.836; 2014 IF: 3.736  
  Call Number UA @ lucian @ c:irua:128321 Serial 4596  
Permanent link to this record
 

 
Author Maignan, A.; Martin, C.; Singh, K.; Simon, C.; Lebedev, O.I.; Turner, S. pdf  doi
openurl 
  Title (down) From spin induced ferroelectricity to dipolar glasses : spinel chromites and mixed delafossites Type A1 Journal article
  Year 2012 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 195 Issue Pages 41-49  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Magnetoelectric multiferroics showing coupling between polarization and magnetic order are attracting much attention. For instance, they could be used in memory devices. Metal-transition oxides are provided several examples of inorganic magnetoelectric multiferroics. In the present short review, spinel and delafossite chromites are described. For the former, an electric polarization is evidenced in the ferrimagnetic state for ACr2O4 polycrystalline samples (A=Ni, Fe, Co). The presence of a JahnTeller cation such as Ni2+ at the A site is shown to yield larger polarization values. In the delafossites, substitution by V3+ at the Cr or Fe site in CuCrO2 (CuFeO2) suppresses the complex antiferromagnetic structure at the benefit of a spin glass state. The presence of cation disorder, probed by transmission electron microscopy, favors relaxor-like ferroelectricity. The results on the ferroelectricity of ferrimagnets and insulating spin glasses demonstrate that, in this research field, transition-metal oxides are worth to be studied.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000309783600006 Publication Date 2012-02-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-4596; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.299 Times cited 27 Open Access  
  Notes Fwo Approved Most recent IF: 2.299; 2012 IF: 2.040  
  Call Number UA @ lucian @ c:irua:101219 Serial 1286  
Permanent link to this record
 

 
Author Tognalii, N.G.; Cortés, E.; Hernández-Nieves, A.D.; Carro, P.; Usaj, G.; Balseiro, C.A.; Vela, M.E.; Salvarezza, R.C.; Fainstein, A. doi  openurl
  Title (down) From single to multiple Ag-layer modification of Au nanocavity substrates : a tunable probe of the chemical surface-enhanced Raman scattering mechanism Type A1 Journal article
  Year 2011 Publication ACS nano Abbreviated Journal Acs Nano  
  Volume 5 Issue 7 Pages 5433-5443  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We present experimental and computational results that enlighten the mechanisms underlying the chemical contribution to surface-enhanced Raman scattering (SERS). Gold void metallic arrays electrochemically covered either by a Ag monolayer or 10100 Ag layers were modified with a self-assembled monolayer of 4-mercaptopyridine as a molecular Raman probe displaying a rich and unexpected Raman response. A resonant increase of the Raman intensity in the red part of the spectrum is observed that cannot be related to plasmon excitations of the cavity-array. Notably, we find an additional 1020 time increase of the SERS amplification upon deposition of a single Ag layer on the Au substrate, which is, however, almost quenched upon deposition of 10 atomic layers. Further deposition of 100 atomic Ag layers results in a new increase of the SERS signal, consistent with the improved plasmonic efficiency of Ag bulk-like structures. The SERS response as a function of the Ag layer thickness is analyzed in terms of ab initio calculations and a microscopic model for the SERS chemical mechanism based on a resonant charge transfer process between the molecular HOMO state and the Fermi level in the metal surface. We find that a rearrangement of the electronic charge density related to the presence of the Ag monolayer in the Au/Ag/molecule complex causes an increase in the distance between the HOMO center of charge and the metallic image plane that is responsible for the variation of Raman enhancement between the studied substrates. Our results provide a general platform for studying the chemical contribution to SERS, and for enhancing the Raman efficiency of tailored Au-SERS templates through electrochemical modification with Ag films.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000293035200019 Publication Date 2011-06-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851;1936-086X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 26 Open Access  
  Notes ; We acknowledge financial support from ANPCyT (Argentina, PICT08-1617, PICT08-2236, PICT06-621, PICT-CNPQ-08-0019, PAE 22711, PICT06-01061, PICT06-483) and Project CTQ2008-06017/BQU, Spain. N.G.T, E.C., A.D.H.N., R.C.S, G.U., C.A.B., and A.F. are also at CONICET. M.E.V. is a member of the research career of CIC BsAs. R.C.S., C.A.B., and A.F. are Guggenheim Foundation Fellows. We would like to thank Dr. M. H. Fonticelli for fruitful discussions on the electrochemical measurements and Dr. H. Pastoriza for the help with the SEM measurements. ; Approved Most recent IF: 13.942; 2011 IF: 11.421  
  Call Number UA @ lucian @ c:irua:91775 Serial 1285  
Permanent link to this record
 

 
Author Ricci, P.E.; Gielis, J. doi  isbn
openurl 
  Title (down) From Pythagoras to Fourier and from geometry to nature Type MA3 Book as author
  Year 2022 Publication Abbreviated Journal  
  Volume Issue Pages 146 p.  
  Keywords MA3 Book as author; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2022-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN 978-90-832323-0-0; 978-90-832323-1-7 Additional Links UA library record  
  Impact Factor Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:186730 Serial 7166  
Permanent link to this record
 

 
Author Tong, Y.; Bohn, B.J.; Bladt, E.; Wang, K.; Mueller-Buschbaum, P.; Bals, S.; Urban, A.S.; Polavarapu, L.; Feldmann, J. pdf  url
doi  openurl
  Title (down) From precursor powders to CsPbX3 perovskite nanowires : one-pot synthesis, growth mechanism, and oriented self-assembly Type A1 Journal article
  Year 2017 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit  
  Volume 56 Issue 56 Pages 13887-13892  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('The colloidal synthesis and assembly of semiconductor nanowires continues to attract a great deal of interest. Herein, we describe the single-step ligand-mediated synthesis of single-crystalline CsPbBr3 perovskite nanowires (NWs) directly from the precursor powders. Studies of the reaction process and the morphological evolution revealed that the initially formed CsPbBr3 nanocubes are transformed into NWs through an oriented-attachment mechanism. The optical properties of the NWs can be tuned across the entire visible range by varying the halide (Cl, Br, and I) composition through subsequent halide ion exchange. Single-particle studies showed that these NWs exhibit strongly polarized emission with a polarization anisotropy of 0.36. More importantly, the NWs can self-assemble in a quasi-oriented fashion at an air/liquid interface. This process should also be easily applicable to perovskite nanocrystals of different morphologies for their integration into nanoscale optoelectronic devices.'));  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Weinheim Editor  
  Language Wos 000413314800065 Publication Date 2017-08-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.994 Times cited 223 Open Access OpenAccess  
  Notes ; This work was supported by the Bavarian State Ministry of Science, Research, and Arts through the grant “Solar Technologies go hybrid (SolTech)”, the China Scholarship Council (Y.T. and K.W.), the Alexander von Humboldt Stiftung (L.P.), and the Flemish Fund for Scientific Research (FWO Vlaanderen; E.B.). S.B. acknowledges financial support from the European Research Council (ERC Starting Grant 335078-COLOURATOMS). ; ecas_sara Approved Most recent IF: 11.994  
  Call Number UA @ lucian @ c:irua:147434UA @ admin @ c:irua:147434 Serial 4876  
Permanent link to this record
 

 
Author Goffin, A.-L.; Duquesne, E.; Raquez, J.-M.; Miltner, H.E.; Ke, X.; Alexandre, M.; Van Tendeloo, G.; van Mele, B.; Dubois, P. pdf  doi
openurl 
  Title (down) From polyester grafting onto POSS nanocage by ring-opening polymerization to high performance polyester/POSS nanocomposites Type A1 Journal article
  Year 2010 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 20 Issue 42 Pages 9415-9422  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Polyester-grafted polyhedral oligomeric silsesquioxane (POSS) nanohybrids selectively produced by ring-opening polymerization of ε-caprolactone and L,L-lactide (A.-L. Goffin, E. Duquesne, S. Moins, M. Alexandre, Ph. Dubois, Eur. Polym. Journal, 2007, 43, 4103) were studied as masterbatches by melt-blending within their corresponding commercial polymeric matrices, i.e., poly(ε-caprolactone) (PCL) and poly(L,L-lactide) (PLA). For the sake of comparison, neat POSS nanoparticles were also dispersed in PCL and PLA. The objective was to prepare aliphatic polyester-based nanocomposites with enhanced crystallization behavior, and therefore, enhanced thermo-mechanical properties. Wide-angle X-ray scattering and transmission electron microscopy attested for the dispersion of individualized POSS nanoparticles in the resulting nanocomposite materials only when the polyester-grafted POSS nanohybrid was used as a masterbatch. The large impact of such finely dispersed (grafted) nanoparticles on the crystallization behavior for the corresponding polyester matrices was noticed, as evidenced by differential scanning calorimetry analysis. Indeed, well-dispersed POSS nanoparticles acted as efficient nucleating sites, significantly increasing the crystallinity degree of both PCL and PLA matrices. As a result, a positive impact on thermo-mechanical properties was highlighted by dynamic mechanical thermal analysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000283264500017 Publication Date 2010-06-03  
  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 42 Open Access  
  Notes Fwo; Iap-6 Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:85784 Serial 1284  
Permanent link to this record
 

 
Author Pittarello, L.; Ji, G.; Yamaguchi, A.; Schryvers, D.; Debaille, V.; Claeys, P. pdf  doi
openurl 
  Title (down) From olivine to ringwoodite : a TEM study of a complex process Type A1 Journal article
  Year 2015 Publication Meteoritics and Planetary Science Abbreviated Journal Meteorit Planet Sci  
  Volume 50 Issue 50 Pages 944-957  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The study of shock metamorphism of olivine might help to constrain impact events in the history of meteorites. Although shock features in olivine are well known, so far, there are processes that are not yet completely understood. In shock veins, olivine clasts with a complex structure, with a ringwoodite rim and a dense network of lamellae of unidentified nature in the core, have been reported in the literature. A highly shocked (S5-6), L6 meteorite, Asuka 09584, which was recently collected in Antarctica by a Belgian-Japanese joint expedition, contains this type of shocked olivine clasts and has been, therefore, selected for detailed investigations of these features by transmission electron microscopy (TEM). Petrographic, geochemical, and crystallographic studies showed that the rim of these shocked clasts consists of an aggregate of nanocrystals of ringwoodite, with lower Mg/Fe ratio than the unshocked olivine. The clast's core consists of an aggregate of iso-oriented grains of olivine and wadsleyite, with higher Mg/Fe ratio than the unshocked olivine. This aggregate is crosscut by veinlets of nanocrystals of olivine, with extremely low Mg/Fe ratio. The formation of the ringwoodite rim is likely due to solid-state, diffusion-controlled, transformation from olivine under high-temperature conditions. The aggregate of iso-oriented olivine and wadsleyite crystals is interpreted to have formed also by a solid-state process, likely by coherent intracrystalline nucleation. Following the compression, shock release is believed to have caused opening of cracks and fractures in olivine and formation of olivine melt, which has lately crystallized under postshock equilibrium pressure conditions as olivine.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000354258400008 Publication Date 2015-04-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1086-9379; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.391 Times cited 8 Open Access  
  Notes Approved Most recent IF: 2.391; 2015 IF: 3.104  
  Call Number c:irua:126058 Serial 1283  
Permanent link to this record
 

 
Author Manzaneda-Gonzalez, V.; Jenkinson, K.; Pena-Rodriguez, O.; Borrell-Grueiro, O.; Trivino-Sanchez, S.; Banares, L.; Junquera, E.; Espinosa, A.; Gonzalez-Rubio, G.; Bals, S.; Guerrero-Martinez, A. url  doi
openurl 
  Title (down) From multi- to single-hollow trimetallic nanocrystals by ultrafast heating Type A1 Journal article
  Year 2023 Publication Chemistry of materials Abbreviated Journal  
  Volume 35 Issue 22 Pages 9603-9612  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Metal nanocrystals (NCs) display unique physicochemical features that are highly dependent on nanoparticle dimensions, anisotropy, structure, and composition. The development of synthesis methodologies that allow us to tune such parameters finely emerges as crucial for the application of metal NCs in catalysis, optical materials, or biomedicine. Here, we describe a synthetic methodology to fabricate hollow multimetallic heterostructures using a combination of seed-mediated growth routes and femtosecond-pulsed laser irradiation. The envisaged methodology relies on the coreduction of Ag and Pd ions on gold nanorods (Au NRs) to form Au@PdAg core-shell nanostructures containing small cavities at the Au-PdAg interface. The excitation of Au@PdAg NRs with low fluence femtosecond pulses was employed to induce the coalescence and growth of large cavities, forming multihollow anisotropic Au@PdAg nanostructures. Moreover, single-hollow alloy AuPdAg could be achieved in high yield by increasing the irradiation energy. Advanced electron microscopy techniques, energy-dispersive X-ray spectroscopy (EDX) tomography, X-ray absorption near-edge structure (XANES) spectroscopy, and finite differences in the time domain (FDTD) simulations allowed us to characterize the morphology, structure, and elemental distribution of the irradiated NCs in detail. The ability of the reported synthesis route to fabricate multimetallic NCs with unprecedented hollow nanostructures offers attractive prospects for the fabrication of tailored high-entropy alloy nanoparticles.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001110623500001 Publication Date 2023-11-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.6 Times cited 2 Open Access OpenAccess  
  Notes Approved Most recent IF: 8.6; 2023 IF: 9.466  
  Call Number UA @ admin @ c:irua:202144 Serial 9040  
Permanent link to this record
 

 
Author Partoens, B.; Peeters, F.M. url  doi
openurl 
  Title (down) From graphene to graphite: electronic structure around the K point Type A1 Journal article
  Year 2006 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 74 Issue 7 Pages 075404,1-11  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000240238800090 Publication Date 2006-08-03  
  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 738 Open Access  
  Notes Approved Most recent IF: 3.836; 2006 IF: 3.107  
  Call Number UA @ lucian @ c:irua:60807 Serial 1282  
Permanent link to this record
 

 
Author Shi, H. openurl 
  Title (down) From functional properties to micro/nano-structures : a TEM study of NiTiNb shape memory alloys Type Doctoral thesis
  Year 2014 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen 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 Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:116623 Serial 1281  
Permanent link to this record
 

 
Author Annys, S.; Van Passel, S.; Dessein, J.; Adgo, E.; Nyssen, J. pdf  doi
openurl 
  Title (down) From fast-track implementation to livelihood deterioration: The dam-based Ribb Irrigation and Drainage Project in Northwest Ethiopia Type A1 Journal article
  Year 2020 Publication Agricultural Systems Abbreviated Journal Agr Syst  
  Volume 184 Issue Pages 102909-102913  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract The 21st century revival of large-scale water resources development projects makes it important to keep assessing their impacts – preferably from an interdisciplinary perspective – in order to not repeat past mistakes and explore whether they could improve livelihood conditions for rural communities. In this study, costs and benefits of the World Bank-funded Ribb Irrigation and Drainage Project (RIDP) were investigated using a unique systems approach. The impact for farmers with different initial farming systems (rainfed – residual moisture – irrigated) was studied using field observations, document analyses, remote sensing, agronomic data and semi-structured interviews (n = 165). Data on project-induced changes to land and water availability, cropping patterns, farming systems and farm-level economics were collected. The results show that dam and dyke construction has reduced flooding, which has resulted in declining rice productivity ( – 42%) and concomitant shifts to lower value cropping systems. Results also reveal that the land redistribution has caused widespread livelihood deterioration as households had to give up 25% of their farmland and the communal grazing land was fully converted into farmland. Due to top-down implementation, nontransparent communication, delayed construction and lagging financial compensation, social resistance has appeared in the command area, impeding the construction works. In addition to these problems, if no rapid change to higher value crops can be realized, 20.5% of the farmers (those who already irrigate) will experience a loss of livelihood, 64.1% of the farmers (those with rainfed and residual moisture cultivation) will be on the verge of livelihood deterioration and only 13.5% of the farmers (those with solely rainfed cultivation) will enjoy RIDP-induced improved livelihoods. The fate of this project stresses the importance of investigating initial farming systems, exploring worthy project alternatives, improving participation, communication and benefit-sharing and strengthening the institutional capacity of implementing authorities.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000564756600013 Publication Date 2020-08-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0308-521x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.6 Times cited Open Access  
  Notes Approved Most recent IF: 6.6; 2020 IF: 2.571  
  Call Number UA @ admin @ c:irua:172030 Serial 6927  
Permanent link to this record
 

 
Author Tan, H. openurl 
  Title (down) From EELS to oxidation state mapping : an investigation into oxidation state mapping of transition metals with electron energy-loss spectroscopy Type Doctoral thesis
  Year 2012 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Antwerpen 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 Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:96030 Serial 1280  
Permanent link to this record
 

 
Author Salzmann, B.B.V.; Vliem, J.F.; Maaskant, D.N.; Post, L.C.; Li, C.; Bals, S.; Vanmaekelbergh, D. url  doi
openurl 
  Title (down) From CdSe nanoplatelets to quantum rings by thermochemical edge reconfiguration Type A1 Journal article
  Year 2021 Publication Chemistry Of Materials Abbreviated Journal Chem Mater  
  Volume 33 Issue 17 Pages 6853-6859  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The variation in the shape of colloidal semiconductor nanocrystals (NCs) remains intriguing. This interest goes beyond crystallography as the shape of the NC determines its energy levels and optoelectronic properties. While thermodynamic arguments point to a few or just a single shape(s), terminated by the most stable crystal facets, a remarkable variation in NC shape has been reported for many different compounds. For instance, for the well-studied case of CdSe, close-to-spherical quantum dots, rods, two-dimensional nanoplatelets, and quantum rings have been reported. Here, we report how two-dimensional CdSe nanoplatelets reshape into quantum rings. We monitor the reshaping in real time by combining atomically resolved structural characterization with optical absorption and photoluminescence spectroscopy. We observe that CdSe units leave the vertical sides of the edges and recrystallize on the top and bottom edges of the nanoplatelets, resulting in a thickening of the rims. The formation of a central hole, rendering the shape into a ring, only occurs at a more elevated temperature.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000696553600024 Publication Date 2021-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.466 Times cited 7 Open Access OpenAccess  
  Notes Hans Meeldijk is kindly acknowledged for helping with electron microscopy at Utrecht University. B.B.V.S. and D.V. acknowledge the Dutch NWO for financial support via the TOP-ECHO grant no. 715.016.002. D.V. acknowledges financial support from the European ERC Council, ERC Advanced grant 692691 “First Step”. D.V. and L.C.P. acknowledge the Dutch NWO for financial support via the TOP-ECHO grant nr. 718.015.002. S.B acknowledges financial support from the European ERC Council, ERC Consolidator grant 815128. This project has received funding from the European Union’s Horizon 2020 research and innovation program under grant agreement no. 731019 (EUSMI). Realnano; sygmaSB Approved Most recent IF: 9.466  
  Call Number UA @ admin @ c:irua:181550 Serial 6839  
Permanent link to this record
 

 
Author Huvé, M.; Vannier, R.-N.; Nowogrocki, G.; Mairesse, G.; Van Tendeloo, G. pdf  doi
openurl 
  Title (down) From Bi4V2O11 to Bi4V2O10.66: the VV-VIV transformation in the Aurovillius-type framework Type A1 Journal article
  Year 1996 Publication Journal of materials chemistry Abbreviated Journal  
  Volume 6 Issue Pages 1339-1345  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos A1996VC50700012 Publication Date 2004-04-21  
  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 63 Open Access  
  Notes Approved PHYSICS, MULTIDISCIPLINARY 6/79 Q1 #  
  Call Number UA @ lucian @ c:irua:17847 Serial 1287  
Permanent link to this record
 

 
Author Kerckhof, F.-M.; Sakarika, M.; Van Giel, M.; Muys, M.; Vermeir, P.; De Vrieze, J.; Vlaeminck, S.E.; Rabaey, K.; Boon, N. url  doi
openurl 
  Title (down) From biogas and hydrogen to microbial protein through co-cultivation of methane and hydrogen oxidizing bacteria Type A1 Journal article
  Year 2021 Publication Frontiers in Bioengineering and Biotechnology Abbreviated Journal  
  Volume 9 Issue Pages 733753  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Increasing efforts are directed towards the development of sustainable alternative protein sources among which microbial protein (MP) is one of the most promising. Especially when waste streams are used as substrates, the case for MP could become environmentally favorable. The risks of using organic waste streams for MP production–the presence of pathogens or toxicants–can be mitigated by their anaerobic digestion and subsequent aerobic assimilation of the (filter-sterilized) biogas. Even though methane and hydrogen oxidizing bacteria (MOB and HOB) have been intensively studied for MP production, the potential benefits of their co-cultivation remain elusive. Here, we isolated a diverse group of novel HOB (that were capable of autotrophic metabolism), and co-cultured them with a defined set of MOB, which could be grown on a mixture of biogas and H2/O2. The combination of MOB and HOB, apart from the CH4 and CO2 contained in biogas, can also enable the valorization of the CO2 that results from the oxidation of methane by the MOB. Different MOB and HOB combinations were grown in serum vials to identify the best-performing ones. We observed synergistic effects on growth for several combinations, and in all combinations a co-culture consisting out of both HOB and MOB could be maintained during five days of cultivation. Relative to the axenic growth, five out of the ten co-cultures exhibited 1.1–3.8 times higher protein concentration and two combinations presented 2.4–6.1 times higher essential amino acid content. The MP produced in this study generally contained lower amounts of the essential amino acids histidine, lysine and threonine, compared to tofu and fishmeal. The most promising combination in terms of protein concentration and essential amino acid profile was Methyloparacoccus murrelli LMG 27482 with Cupriavidus necator LMG 1201. Microbial protein from M. murrelli and C. necator requires 27–67% less quantity than chicken, whole egg and tofu, while it only requires 15% more quantity than the amino acid-dense soybean to cover the needs of an average adult. In conclusion, while limitations still exist, the co-cultivation of MOB and HOB creates an alternative route for MP production leveraging safe and sustainably-produced gaseous substrates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000697897900001 Publication Date 2021-09-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2296-4185 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:180591 Serial 7985  
Permanent link to this record
 

 
Author Vande Velde, C.; Bultinck, E.; Tersago, K.; van Alsenoy, C.; Blockhuys, F. doi  openurl
  Title (down) From anisole to 1,2,4,5-tetramethoxybenzene: theoretical study of the factors that determine the conformation of methoxy groups on a benzene ring Type A1 Journal article
  Year 2007 Publication International journal of quantum chemistry Abbreviated Journal Int J Quantum Chem  
  Volume 107 Issue 3 Pages 670-679  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000242706900016 Publication Date 2006-10-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-7608;1097-461X; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.92 Times cited 14 Open Access  
  Notes Approved Most recent IF: 2.92; 2007 IF: 1.368  
  Call Number UA @ lucian @ c:irua:60633 Serial 1279  
Permanent link to this record
 

 
Author Hao, Y.; Velpula, G.; Kaltenegger, M.; Bodlos, W.R.; Vibert, F.; Mali, K.S.; De Feyter, S.; Resel, R.; Geerts, Y.H.; Van Aert, S.; Beljonne, D.; Lazzaroni, R. pdf  doi
openurl 
  Title (down) From 2D to 3D : bridging self-assembled monolayers to a substrate-induced polymorph in a molecular semiconductor Type A1 Journal article
  Year 2022 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume 34 Issue 5 Pages 2238-2248  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In this study, a new bottom-up approach is proposed to predict the crystal structure of the substrate-induced polymorph (SIP) of an archetypal molecular semiconductor. In spite of intense efforts, the formation mechanism of SIPs is still not fully understood, and predicting their crystal structure is a very delicate task. Here, we selected lead phthalocyanine (PbPc) as a prototypical molecular material because it is a highly symmetrical yet nonplanar molecule and we demonstrate that the growth and crystal structure of the PbPc SIPs can be templated by the corresponding physisorbed self-assembled molecular networks (SAMNs). Starting from SAMNs of PbPc formed at the solution/graphite interface, the structural and energetic aspects of the assembly were studied by a combination of in situ scanning tunneling microscopy and multiscale computational chemistry approach. Then, the growth of a PbPc SIP on top of the physisorbed monolayer was modeled without prior experimental knowledge, from which the crystal structure of the SIP was predicted. The theoretical prediction of the SIP was verified by determining the crystal structure of PbPc thin films using X-ray diffraction techniques, revealing the formation of a new polymorph of PbPc on the graphite substrate. This study clearly illustrates the correlation between the SAMNs and SIPs, which are traditionally considered as two separate but conceptually connected research areas. This approach is applicable to molecular materials in general to predict the crystal structure of their SIPs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000812125800001 Publication Date 2022-02-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.6 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 8.6  
  Call Number UA @ admin @ c:irua:189086 Serial 7084  
Permanent link to this record
 

 
Author Silhanek, A.V.; Kramer, R.G.B.; van de Vondel, J.; Moshchalkov, V.V.; Milošević, M.V.; Berdiyorov, G.R.; Peeters, F.M.; Luccas, R.F.; Puig, T. doi  openurl
  Title (down) Freezing vortex rivers Type A1 Journal article
  Year 2010 Publication Physica: C : superconductivity Abbreviated Journal Physica C  
  Volume 470 Issue 19 Pages 726-729  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We demonstrate experimentally and theoretically that the dissipative state at high current densities of superconducting samples with a periodic array of holes consist of flux rivers resulting from a short range attractive interaction between vortices. This dynamically induced vortexvortex attraction results from the migration of quasiparticles out of the vortex core. We have directly visualized the formation of vortex chains by scanning Hall microscopy after freezing the dynamic state by a field cooling procedure at constant bias current. Similar experiments carried out in a sample without holes show no hint of flux river formation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos 000282454400004 Publication Date 2010-03-08  
  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 4 Open Access  
  Notes ; ; Approved Most recent IF: 1.404; 2010 IF: 1.415  
  Call Number UA @ lucian @ c:irua:85032 Serial 1278  
Permanent link to this record
 

 
Author Peelaers, H.; Partoens, B.; Peeters, F.M. url  openurl
  Title (down) Free-standing Si and Ge, and Ge/Si core-shell semiconductor nanowires Type A1 Journal article
  Year 2012 Publication Acta physica Polonica: A: general physics, solid state physics, applied physics T2 – WELCOME Scientific Meeting on Hybrid Nanostructures, AUG 28-31, 2011, Torun, POLAND Abbreviated Journal Acta Phys Pol A  
  Volume 122 Issue 2 Pages 294-298  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The properties of free-standing silicon and germanium nanowires oriented along the [110] direction are studied using different first principles methods. We show the corrections due to quasi-particles to the band structures obtained using the local-density approximation. The formation energies of B and P doped nanowires are calculated, both in the absence and presence of dangling bond defects and we link these to experimental results. Furthermore, we report on the phonon properties of pure Si and Ge nanowires, as well as Ge/Si core-shell nanowires, and discuss the differences between them.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Warszawa Editor  
  Language Wos Publication Date 0000-00-00  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0587-4246 ISBN Additional Links UA library record; WoS full record;  
  Impact Factor 0.469 Times cited Open Access  
  Notes Approved Most recent IF: 0.469; 2012 IF: 0.531  
  Call Number UA @ lucian @ c:irua:101896 Serial 1277  
Permanent link to this record
 

 
Author Shields, P.A.; Nicholas, R.J.; Peeters, F.M.; Beaumont, B.; Gibart, P. doi  openurl
  Title (down) Free-carrier effects in gallium nitride epilayers: Valence-band dispersion Type A1 Journal article
  Year 2001 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 64 Issue 8 Pages 155303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The dispersion of the A-valence-band in GaN has been deduced from the observation of high-index magnetoexcitonic states in polarized interband magnetoreflectivity and is found to be strongly nonparabolic with a mass in the range 1.2-1.8m(e). It matches the theory of Kim et al. [Phys. Rev. B 56, 7363 (1997)] extremely well, which also gives a strong k-dependent A-valence-band mass. A strong phonon coupling leads to quenching of the observed transitions at about an LO-phonon energy above the band gap and a strong nonparabolicity. The valence band was deduced from subtracting from the reduced dispersion the electron contribution with a model that includes a full treatment of the electron-phonon interaction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000170623000005 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 13 Open Access  
  Notes Approved Most recent IF: 3.836; 2001 IF: NA  
  Call Number UA @ lucian @ c:irua:37288 Serial 1274  
Permanent link to this record
 

 
Author Bekaert, J.; Bignardi, L.; Aperis, A.; van Abswoude, P.; Mattevi, C.; Gorovikov, S.; Petaccia, L.; Goldoni, A.; Partoens, B.; Oppeneer, P.M.; Peeters, F.M.; Milošević, M.V.; Rudolf, P.; Cepek, C. url  doi
openurl 
  Title (down) Free surfaces recast superconductivity in few-monolayer MgB2 : combined first-principles and ARPES demonstration Type A1 Journal article
  Year 2017 Publication Scientific reports Abbreviated Journal Sci Rep-Uk  
  Volume 7 Issue Pages 14458  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Two-dimensional materials are known to harbour properties very different from those of their bulk counterparts. Recent years have seen the rise of atomically thin superconductors, with a caveat that superconductivity is strongly depleted unless enhanced by specific substrates, intercalants or adatoms. Surprisingly, the role in superconductivity of electronic states originating from simple free surfaces of two-dimensional materials has remained elusive to date. Here, based on first-principles calculations, anisotropic Eliashberg theory, and angle-resolved photoemission spectroscopy (ARPES), we show that surface states in few-monolayer MgB2 make a major contribution to the superconducting gap spectrum and density of states, clearly distinct from the widely known, bulk-like sigma-and pi-gaps. As a proof of principle, we predict and measure the gap opening on the magnesium-based surface band up to a critical temperature as high as similar to 30 K for merely six monolayers thick MgB2. These findings establish free surfaces as an unavoidable ingredient in understanding and further tailoring of superconductivity in atomically thin materials.'));  
  Address  
  Corporate Author Thesis  
  Publisher Nature Publishing Group Place of Publication London Editor  
  Language Wos 000414231000059 Publication Date 2017-10-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.259 Times cited 27 Open Access  
  Notes ; This work was supported by TOPBOF-UAntwerp, Research Foundation Flanders (FWO), the Foundation for Fundamental Research on Matter (FOM)-part of the Netherlands Organisation for Scientific Research, the Swedish Research Council (VR) and the Rontgen-Angstrom Cluster. P.v.A. acknowledges an Ubbo Emmius fellowship for his PhD studies. The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation Flanders (FWO) and the Flemish Government – department EWI. Eliashberg theory calculations were supported through the Swedish National Infrastructure for Computing (SNIC). We thank D. Lonza for technical assistance in the experimental part. ; Approved Most recent IF: 4.259  
  Call Number UA @ lucian @ c:irua:147426 Serial 4875  
Permanent link to this record
 

 
Author Bal, K.M.; Fukuhara, S.; Shibuta, Y.; Neyts, E.C. pdf  url
doi  openurl
  Title (down) Free energy barriers from biased molecular dynamics simulations Type A1 Journal article
  Year 2020 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys  
  Volume 153 Issue 11 Pages 114118  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Atomistic simulation methods for the quantification of free energies are in wide use. These methods operate by sampling the probability density of a system along a small set of suitable collective variables (CVs), which is, in turn, expressed in the form of a free energy surface (FES). This definition of the FES can capture the relative stability of metastable states but not that of the transition state because the barrier height is not invariant to the choice of CVs. Free energy barriers therefore cannot be consistently computed from the FES. Here, we present a simple approach to calculate the gauge correction necessary to eliminate this inconsistency. Using our procedure, the standard FES as well as its gauge-corrected counterpart can be obtained by reweighing the same simulated trajectory at little additional cost. We apply the method to a number of systems—a particle solvated in a Lennard-Jones fluid, a Diels–Alder reaction, and crystallization of liquid sodium—to demonstrate its ability to produce consistent free energy barriers that correctly capture the kinetics of chemical or physical transformations, and discuss the additional demands it puts on the chosen CVs. Because the FES can be converged at relatively short (sub-ns) time scales, a free energy-based description of reaction kinetics is a particularly attractive option to study chemical processes at more expensive quantum mechanical levels of theory.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000574665600004 Publication Date 2020-09-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.4 Times cited Open Access  
  Notes Japan Society for the Promotion of Science, 19H02415 18J22727 ; Fonds Wetenschappelijk Onderzoek, 12ZI420N ; This work was supported, in part, by a Grant-in-Aid for Scientific Research (B) (Grant No. 19H02415) and Grant-in-Aid for a JSPS Research Fellow (Grant No. 18J22727) from the Japan Society for the Promotion of Science (JSPS), Japan. K.M.B. was funded as a junior postdoctoral fellow of the FWO (Research Foundation – Flanders), Grant No. 12ZI420N. S.F. was supported by JSPS through the Program for Leading Graduate Schools (MERIT). The computational resources and services used in this work were provided by the HPC core facility CalcUA of the Universiteit Antwerpen, and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. The authors are grateful to Pablo Piaggi for making the pair entropy CV code publicly available. Approved Most recent IF: 4.4; 2020 IF: 2.965  
  Call Number PLASMANT @ plasmant @c:irua:172456 Serial 6420  
Permanent link to this record
 

 
Author Theuns, T.; Michel, K.H. doi  openurl
  Title (down) Free energy and structural phase transitions in mixed crystals: a microscopic derivation Type A1 Journal article
  Year 1992 Publication Zeitschrift für Physik: B Abbreviated Journal  
  Volume 86 Issue Pages 125-131  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1992GV45100019 Publication Date 2005-03-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0722-3277;1434-6036; ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes Approved no  
  Call Number UA @ lucian @ c:irua:44748 Serial 1276  
Permanent link to this record
Select All    Deselect All
 |   | 
Details
   print

Save Citations:
Export Records: