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Author van Straaten, M.; Bogaerts, A.; Gijbels, R.
  Title (up) Experimental determination of the energy distribution of ions bombarding the cathode surface in a glow discharge Type A1 Journal article
  Year 1995 Publication Spectrochimica acta: part B : atomic spectroscopy Abbreviated Journal Spectrochim Acta B
  Volume 50 Issue Pages 583-605
  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 A1995RD70500026 Publication Date 2003-04-25
  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 3.176 Times cited 22 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:12269 Serial 1136
Permanent link to this record
 

 
Author Bogaerts, R.; Herlach, F.; de Keyser, A.; Peeters, F.M.; DeRosa, F.; Palmstrøm, C.J.; Brehmer, D.; Allen, S.J.
  Title (up) Experimental determination of the Fermi surface of thin Sc1-xErxAs epitaxial layers in pulsed magnetic fields Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 53 Issue Pages 15951-15963
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos A1996UT77000086 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.736 Times cited 9 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:15794 Serial 1137
Permanent link to this record
 

 
Author Kanda, A.; Baelus, B.J.; Peeters, F.M.; Kadowaki, K.; Ootuka, Y.
  Title (up) Experimental distinction between giant vortex and multivortex states in mesoscopic superconductors Type P1 Proceeding
  Year 2006 Publication AIP conference proceedings T2 – 24th International Conference on Low Temperature Physics (LT24), AUG 10-17, 2005, Orlando, FL Abbreviated Journal
  Volume Issue Pages 739-742
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract We describe an experimental distinction between giant vortex and multivortex states in mesoscopic superconducting disks by using two methods: the multiple-small-tunnel-junction method and the temperature dependence of vortex expulsion fields. The experimental results are in good agreement with the theoretical simulations based on the non-linear Ginzburg-Landau theory.
  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 850 Series Issue Edition
  ISSN 0-7354-0347-3; 0094-243x ISBN Additional Links UA library record; WoS full record;
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:103641 Serial 1138
Permanent link to this record
 

 
Author Kanda, A.; Baelus, B.J.; Peeters, F.M.; Kadowaki, K.; Ootuka, Y.
  Title (up) Experimental evidence for giant vortex states in a mesoscopic superconducting disk Type A1 Journal article
  Year 2004 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 93 Issue 25 Pages 257002,1-4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000225785200056 Publication Date 2004-12-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 234 Open Access
  Notes Approved Most recent IF: 8.462; 2004 IF: 7.218
  Call Number UA @ lucian @ c:irua:69420 Serial 1139
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Author Ngo, N.; Liu, X.; Van Winckel, T.; Massoudieh, A.; Kjellerup, B.V.; Takács, I.; Wett, B.; Mancell-Egala, M.; Sturm, B.; Vlaeminck, S.E.; Al-Omari, A.; Murthy, S.; De Clippeleir, H.
  Title (up) Experimental metrics to predict the flocculent settling coefficient in a 1D settler model Type P3 Proceeding
  Year 2017 Publication Abbreviated Journal
  Volume Issue Pages 5 p. T2 - WEFTEC.17, 30 September 4 October 2017,
  Keywords P3 Proceeding; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  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:151111 Serial 7948
Permanent link to this record
 

 
Author Lozano, D.P.; Couet, S.; Petermann, C.; Hamoir, G.; Jochum, J.K.; Picot, T.; Menendez, E.; Houben, K.; Joly, V.; Antohe, V.A.; Hu, M.Y.; Leu, B.M.; Alatas, A.; Said, A.H.; Roelants, S.; Partoens, B.; Milošević, M.V.; Peeters, F.M.; Piraux, L.; Van de Vondel, J.; Vantomme, A.; Temst, K.; Van Bael, M.J.
  Title (up) Experimental observation of electron-phonon coupling enhancement in Sn nanowires caused by phonon confinement effects Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 99 Issue 6 Pages 064512
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Reducing the size of a superconductor below its characteristic length scales can either enhance or suppress its critical temperature (T-c). Depending on the bulk value of the electron-phonon coupling strength, electronic and phonon confinement effects will play different roles in the modification of T-c. Experimentally disentangling each contribution has remained a challenge. We have measured both the phonon density of states and T-c of Sn nanowires with diameters of 18, 35, and 100 nm in order to quantify the effects of phonon confinement on superconductivity. We observe a shift of the phonon frequency towards the low-energy region and an increase in the electron-phonon coupling constant that can account for the measured increase in T-c.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000459322400005 Publication Date 2019-02-21
  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 11 Open Access
  Notes ; We would like to thanks Jeroen Scheerder and Wout Keijers for their help and assistance during the low-temperature measurements. This work was supported by the Research Foundation Flanders (FWO), the Concerted Research Action (GOA/14/ 007), the Federation Wallonie-Bruxelles (ARC 13/18-052, Supracryst) and the Fonds de la Recherche Scientifique -FNRS under Grant No. T.0006.16. The authors acknowledge Hercules Stichting (Project Nos. AKUL/13/19 and AKUL/13/25). D.P.L. thanks the FWO for financial support. This research used resources of the Advanced Photon Source, a US Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. ; Approved Most recent IF: 3.836
  Call Number UA @ admin @ c:irua:158621 Serial 5212
Permanent link to this record
 

 
Author Bogaerts, R.; van Esch, A.; van Bockstal, L.; Herlach, F.; Peeters, F.M.; DeRosa, F.; Palmstrøm, C.J.; Allen, S.J.
  Title (up) Experimental study of the energy band structure of Sc1-xErxAs layers in pulsed magnetic fields Type A1 Journal article
  Year 1993 Publication Physica: B : condensed matter Abbreviated Journal Physica B
  Volume 184 Issue Pages 232-235
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos A1993KU62100047 Publication Date 2002-10-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4526; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.319 Times cited 9 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:5791 Serial 1143
Permanent link to this record
 

 
Author Kanda, A.; Baelus, B.J.; Shimizu, N.; Tadano, K.; Peeters, F.M.; Kadowaki, K.; Ootuka, Y.
  Title (up) Experimental study on giant vortex and multivortex states in mesoscopic superconductors Type A1 Journal article
  Year 2006 Publication Physica: C : superconductivity Abbreviated Journal Physica C
  Volume 437/438 Issue Pages 122-126
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000238395700030 Publication Date 2006-04-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-4534; ISBN Additional Links UA library record; WoS full record
  Impact Factor 1.404 Times cited Open Access
  Notes Approved Most recent IF: 1.404; 2006 IF: 0.792
  Call Number UA @ lucian @ c:irua:60045 Serial 1144
Permanent link to this record
 

 
Author Vandebroek, M.; Belis, J.; Louter, C.; Van Tendeloo, G.
  Title (up) Experimental validation of edge strength model for glass with polished and cut edge finishing Type A1 Journal article
  Year 2012 Publication Engineering fracture mechanics Abbreviated Journal Eng Fract Mech
  Volume 96 Issue Pages 480-489
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract In literature, the experimental validation of a glass edge strength model is lacking. Therefore, in this study, an edge strength model was established and validated. The short-term parameters of the edge strength model, i.e. the flaw geometry and depth, were determined by means of testing at a high stress rate. This was done for polished and cut edges. Next, the strength model, including subcritical crack growth, was established. Finally, the edge strength model was validated by the test results at a low stress rate. The assessed model was found to be slightly conservative, compared to the test results.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Oxford Editor
  Language Wos 000313384300034 Publication Date 2012-09-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0013-7944; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.151 Times cited 15 Open Access
  Notes Approved Most recent IF: 2.151; 2012 IF: 1.413
  Call Number UA @ lucian @ c:irua:105285 Serial 1145
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Author Van 't dack, L.; Beusen, J.-M.; Claesson, T.; Vandelannoote, R.; van Grieken, R.; Gijbels, R.
  Title (up) Experimental weathering studies of igneous rocks (alkali-granite, granodiorite, gabbro and granite) and sedimentary gneiss under hydrothermal conditions Type P3 Proceeding
  Year 1985 Publication Abbreviated Journal
  Volume Issue Pages 363-368
  Keywords P3 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  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
  Impact Factor Times cited Open Access
  Notes Approved
  Call Number UA @ lucian @ c:irua:111512 Serial 1146
Permanent link to this record
 

 
Author Clark, L.; Béché, A.; Guzzinati, G.; Lubk, A.; Mazilu, M.; Van Boxem, R.; Verbeeck, J.
  Title (up) Exploiting lens aberrations to create electron-vortex beams Type A1 Journal article
  Year 2013 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 111 Issue 6 Pages 064801-64805
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract A model for a new electron-vortex beam production method is proposed and experimentally demonstrated. The technique calls on the controlled manipulation of the degrees of freedom of the lens aberrations to achieve a helical phase front. These degrees of freedom are accessible by using the corrector lenses of a transmission electron microscope. The vortex beam is produced through a particular alignment of these lenses into a specifically designed astigmatic state and applying an annular aperture in the condenser plane. Experimental results are found to be in good agreement with simulations.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000322921200009 Publication Date 2013-08-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 66 Open Access
  Notes Vortex; Esteem2; Countatoms; FWO; Esteem2jra3 ECASJO; Approved Most recent IF: 8.462; 2013 IF: 7.728
  Call Number UA @ lucian @ c:irua:109340UA @ admin @ c:irua:109340 Serial 1148
Permanent link to this record
 

 
Author Bafekry, A.; Stampfl, C.; Shayesteh, S.F.; Peeters, F.M.
  Title (up) Exploiting the novel electronic and magnetic structure of C3Nvia functionalization and conformation Type A1 Journal article
  Year 2019 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
  Volume 5 Issue 5 Pages 1900459
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract 2D polyaniline, C3N, is of recent high interest due to its unusual properties and potential use in various technological applications. In this work, through systematic first-principles calculations, the atomic, electronic, and magnetic structure of C3N and the changes induced due to functionalization by the adsorption of hydrogen, oxygen, and fluorine, for different coverages and sites, as well as on formation of nanoribbons including the effect of adsorbed hydrogen and oxygen, and the effect of strain, are investigated. Among other interesting phenomena, for hydrogen adsorption, a semiconductor-to-topological insulator transition, where two Dirac-points appear around the Fermi level, as well as ferromagnetic ordering for both hydrogen and oxygen functionalization, is identified. Considering C3N nanoribbons, adsorption of H leads to significant changes in the electronic properties, such as transforming the structures from semiconductor to metallic. Furthermore, investigating the effect of strain on the physical properties, it is found that the band gap can be significantly altered and controlled. The present findings predict that a wide variation in the magnetic and electronic structure of C3N can be achieved by adatom functionalization and conformation indicating its high potential for use in various technological applications, ranging from catalysis, energy storage, and nanoelectronic devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000486528200001 Publication Date 2019-09-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.193 Times cited 39 Open Access
  Notes ; This work was supported by the FLAG-ERA project 2DTRANS and the Flemish Science Foundation (FWO-Vl). In addition, we acknowledge the OpenMX team for OpenMX code. ; Approved Most recent IF: 4.193
  Call Number UA @ admin @ c:irua:162790 Serial 5414
Permanent link to this record
 

 
Author van der Snickt, G.; Martins, A.; Delaney, J.; Janssens, K.; Zeibel, J.; Duffy, M.; McGlinchey, C.; Van Driel, B.; Dik, J.
  Title (up) Exploring a hidden painting below the surface of Rene Magritte's Le Portrait Type A1 Journal article
  Year 2016 Publication Applied spectroscopy Abbreviated Journal Appl Spectrosc
  Volume 70 Issue 1 Pages 57-67
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract Two state-of-the-art methods for non-invasive visualization of subsurface (or overpainted) pictorial layers present in painted works of art are employed to study Le portrait, painted by Belgian artist Rene Magritte in 1935. X-ray radiography, a commonly used method for the nondestructive inspection of paintings, had revealed the presence of an underlying figurative composition, part of an earlier Magritte painting entitled La pose enchantee (1927) which originally depicted two full length nude female figures with exaggerated facial features. On the one hand, macroscopic X-ray fluorescence analysis (MA-XRF), a method capable of providing information on the distribution of the key chemical elements present in many artists' pigments, was employed. The ability of the X-rays to penetrate the upper layer of paint enabled the imaging of the facial features of the female figure and provided information on Magritte's palette for both surface and hidden composition. On the other hand, visible and near infrared hyperspectral imaging spectroscopies in transmission mode were also used, especially in the area of the table cloth in order to look through the upper representation and reveal the pictorial layer(s) below. MA-XRF provided elemental information on the pigment distributions in both the final painting and the prior whereas the transmission mode provided information related to preparatory sketches as well as revealing differences between the paints used in both compositions. These results illustrate very well the manner in which the two imaging methods complement each other, both in the sense of providing different types of information on the nature and presence of paint components/pigments and in the sense of being optimally suited to easily penetrate through different types of overpaint.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000368604500007 Publication Date 2016-01-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0003-7028 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.529 Times cited 13 Open Access
  Notes ; GvdS and KJ acknowledge the support of the Fund Inbev-Baillet Latour. JKD acknowledges support from the Andrew Mellon Foundation and the National Science Foundation. BvD and JD acknowledge support from The Netherlands Organisation for Scientific Research (NWO). ; Approved Most recent IF: 1.529
  Call Number UA @ admin @ c:irua:131544 Serial 5620
Permanent link to this record
 

 
Author Sankaran, K.; Clima, S.; Mees, M.; Adelmann, C.; Tokei, Z.; Pourtois, G.
  Title (up) Exploring alternative metals to Cu and W for interconnects : an ab initio Insight Type P1 Proceeding
  Year 2014 Publication 2014 Ieee International Interconnect Technology Conference / Advanced Metallization Conference (iitc/amc) Abbreviated Journal
  Volume Issue Pages 193-195
  Keywords P1 Proceeding; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The properties of alternative metals to Cu and W for interconnect applications are reviewed based on first-principles simulations and benchmarked in terms of intrinsic bulk resistivity and electromigration.
  Address
  Corporate Author Thesis
  Publisher Ieee 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 978-1-4799-5018-8 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:127034 Serial 1149
Permanent link to this record
 

 
Author Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G.
  Title (up) Exploring alternative metals to Cu and W for interconnects applications using automated first-principles simulations Type A1 Journal article
  Year 2015 Publication ECS journal of solid state science and technology Abbreviated Journal Ecs J Solid State Sc
  Volume 4 Issue 4 Pages N3127-N3133
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The bulk properties of elementary metals and copper based binary alloys have been investigated using automated first-principles simulations to evaluate their potential to replace copper and tungsten as interconnecting wires in the coming CMOS technology nodes. The intrinsic properties of the screened candidates based on their cohesive energy and on their electronic properties have been used as a metrics to reflect their resistivity and their sensitivity to electromigration. Using these values, the 'performances' of the alloys have been benchmarked with respect to the Cu and W ones. It turns out that for some systems, alloying Cu with another element leads to a reduced tendency to electromigration. This is however done at the expense of a decrease of the conductivity of the alloy with respect to the bulk metal. (C) 2014 The Electrochemical Society. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Electrochemical society Place of Publication Pennington (N.J.) Editor
  Language Wos 000349547900018 Publication Date 2014-11-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2162-8769;2162-8777; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 1.787 Times cited 19 Open Access
  Notes Approved Most recent IF: 1.787; 2015 IF: 1.558
  Call Number c:irua:125296 Serial 1150
Permanent link to this record
 

 
Author Ozdemir, I.; Arkin, H.; Milošević, M.V.; V. Barth, J.; Aktuerk, E.
  Title (up) Exploring the adsorption mechanisms of neurotransmitter and amino acid on Ti3C2-MXene monolayer : insights from DFT calculations Type A1 Journal article
  Year 2024 Publication Surfaces and interfaces Abbreviated Journal
  Volume 46 Issue Pages 104169-9
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In this study, we conducted a systematic density functional theory (DFT) investigation of the interaction between Ti3C2-MXene monolayer and biological molecules dopamine (DA) and serine (Ser) as neurotransmitter and amino acid, respectively. Our calculations show good agreement with previous literature findings for the optimized Ti3C2 monolayer. We found that DA and Ser molecules bind to the Ti3C2 surface with adsorption energies of -2.244 eV and -3.960 eV, respectively. The adsorption of Ser resulted in the dissociation of one H atom. Electronic density of states analyses revealed little changes in the electronic properties of the Ti3C2-MXene monolayer upon adsorption of the biomolecules. We further investigated the interaction of DA and Ser with Ti3C2 monolayers featuring surface -termination with OH functional group, and Ti -vacancy. Our calculations indicate that the adsorption energies significantly decrease in the presence of surface termination, with adsorption energies of -0.097 eV and -0.330 eV for DA and Ser, respectively. Adsorption energies on the Ti -vacancy surface, on the other hand, are calculated to be -3.584 eV and -3.856 eV for DA and Ser, respectively. Our results provide insights into the adsorption behavior of biological molecules on Ti3C2-MXene, demonstrating the potential of this material for biosensing and other biomedical applications. These findings highlight the importance of surface modifications in the development of functional materials and devices based on Ti3C2-MXene, and pave the way for future investigations into the use of 2D materials for biomedical applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001206950300001 Publication Date 2024-03-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2468-0230 ISBN Additional Links UA library record; WoS full record
  Impact Factor 6.2 Times cited Open Access
  Notes Approved Most recent IF: 6.2; 2024 IF: NA
  Call Number UA @ admin @ c:irua:205977 Serial 9150
Permanent link to this record
 

 
Author Jain, N.; Hao, Y.; Parekh, U.; Kaltenegger, M.; Pedrazo-Tardajos, A.; Lazzaroni, R.; Resel, R.; Geerts, Y.H.; Bals, S.; Van Aert, S.
  Title (up) Exploring the effects of graphene and temperature in reducing electron beam damage: A TEM and electron diffraction-based quantitative study on Lead Phthalocyanine (PbPc) crystals Type A1 Journal article
  Year 2023 Publication Micron Abbreviated Journal
  Volume 169 Issue Pages 103444
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract High-resolution transmission electron microscopy (TEM) of organic crystals, such as Lead Phthalocyanine (PbPc), is very challenging since these materials are prone to electron beam damage leading to the breakdown of the crystal structure during investigation. Quantification of the damage is imperative to enable high-resolution imaging of PbPc crystals with minimum structural changes. In this work, we performed a detailed electron diffraction study to quantitatively measure degradation of PbPc crystals upon electron beam irradiation. Our study is based on the quantification of the fading intensity of the spots in the electron diffraction patterns. At various incident dose rates (e/Å2/s) and acceleration voltages, we experimentally extracted the decay rate (1/s), which directly correlates with the rate of beam damage. In this manner, a value for the critical dose (e/Å2) could be determined, which can be used as a measure to quantify beam damage. Using the same methodology, we explored the influence of cryogenic temperatures, graphene TEM substrates, and graphene encapsulation in prolonging the lifetime of the PbPc crystal structure during TEM investigation. The knowledge obtained by diffraction experiments is then translated to real space high-resolution TEM imaging of PbPc.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000965998800001 Publication Date 2023-03-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0968-4328 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.4 Times cited 1 Open Access OpenAccess
  Notes This work is supported by FWO and FNRS within the 2Dto3D network of the EOS (Excellence of Science) program (grant number 30489208) and ERC-CoGREALNANO-815128 (to Prof. Dr. Sara Bals). N.J. would like to thank Dr. Kunal S. Mali and Dr. Da Wang for useful and interesting discussions on sample preparation procedures. Approved Most recent IF: 2.4; 2023 IF: 1.98
  Call Number EMAT @ emat @c:irua:196069 Serial 7379
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Author Cavaliere, E.; Benetti, G.; Van Bael, M.; Winckelmans, N.; Bals, S.; Gavioli, L.
  Title (up) Exploring the Optical and Morphological Properties of Ag and Ag/TiO2 Nanocomposites Grown by Supersonic Cluster Beam Deposition Type A1 Journal article
  Year 2017 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
  Volume 7 Issue 7 Pages 442
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Nanocomposite systems and nanoparticle (NP) films are crucial for many applications and research fields. The structure-properties correlation raises complex questions due to the collective structure of these systems, often granular and porous, a crucial factor impacting their effectiveness and performance. In this framework, we investigate the optical and morphological properties of Ag nanoparticles (NPs) films and of Ag NPs/TiO₂ porous matrix films, one-step grown by supersonic cluster beam deposition. Morphology and structure of the Ag NPs film and of the Ag/TiO₂ (Ag/Ti 50-50) nanocomposite are related to the optical properties of the film employing spectroscopic ellipsometry (SE). We employ a simple Bruggeman effective medium approximation model, corrected by finite size effects of the nano-objects in the film structure to gather information on the structure and morphology of the nanocomposites, in particular porosity and average NPs size for the Ag/TiO₂ NP film. Our results suggest that SE is a simple, quick and effective method to measure porosity of nanoscale films and systems, where standard methods for measuring pore sizes might not be applicable.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000419186800037 Publication Date 2017-12-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.553 Times cited 19 Open Access OpenAccess
  Notes The authors thank Gabriele Ferrini for fruitful discussions on the spectroscopic ellipsometry model and Francesco Rossella from NEST for the optical profilometry data. The authors acknowledge financial support from the European Union through the 7th Framework Program (FP7) under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2). Luca Gavioli, Emanuele Cavaliere and Giulio Benetti acknowledge support from Università Cattolica del Sacro Cuore through D.1.1 and D.3.1 grants. Approved Most recent IF: 3.553
  Call Number EMAT @ emat @c:irua:147862UA @ admin @ c:irua:147862 Serial 4802
Permanent link to this record
 

 
Author Alloul, A.; Van Kampen, W.; Cerruti, M.; Wittouck, S.; Pabst, M.; Weissbrodt, D.G.
  Title (up) Exploring the role of antimicrobials in the selective growth of purple phototrophic bacteria through genome mining and agar spot assays Type A1 Journal article
  Year 2022 Publication Letters in applied microbiology Abbreviated Journal Lett Appl Microbiol
  Volume 75 Issue 5 Pages 1275-1285
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Purple non-sulphur bacteria (PNSB) are an emerging group of microbes attractive for applied microbiology applications such as wastewater treatment, plant biostimulants, microbial protein, polyhydroxyalkanoates and H-2 production. These photoorganoheterotrophic microbes have the unique ability to grow selectively on organic carbon in anaerobic photobioreactors. This so-called selectivity implies that the microbial community will have a low diversity and a high abundance of a particular PNSB species. Recently, it has been shown that certain PNSB strains can produce antimicrobials, yet it remains unclear whether these contribute to competitive inhibition. This research aimed to understand which type of antimicrobial PNSB produce and identify whether these compounds contribute to their selective growth. Mining 166 publicly-available PNSB genomes using the computational tool BAGEL showed that 59% contained antimicrobial encoding regions, more specifically biosynthetic clusters of bacteriocins and non-ribosomal peptide synthetases. Inter- and intra-species inhibition was observed in agar spot assays for Rhodobacter blasticus EBR2 and Rhodopseudomonas palustris EBE1 with inhibition zones of, respectively, 5.1 and 1.5-5.7 mm. Peptidomic analysis detected a peptide fragment in the supernatant (SVLQLLR) that had a 100% percentage identity match with a known non-ribosomal peptide synthetase with antimicrobial activity.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000837055500001 Publication Date 2022-07-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0266-8254 ISBN Additional Links UA library record; WoS full record
  Impact Factor 2.4 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 2.4
  Call Number UA @ admin @ c:irua:189519 Serial 7162
Permanent link to this record
 

 
Author Vishwakarma, M.; Batra, Y.; Hadermann, J.; Singh, A.; Ghosh, A.; Mehta, B.R.
  Title (up) Exploring the role of graphene oxide as a co-catalyst in the CZTS photocathodes for improved photoelectrochemical properties Type A1 Journal article
  Year 2022 Publication ACS applied energy materials Abbreviated Journal
  Volume 5 Issue 6 Pages 7538-7549
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The hydrogen evolution properties of CZTS heterostructure photocathodes are reported with graphene oxide (GO) as a co-catalyst layer coated by a drop-cast method and an Al2O3 protection layer fabricated using atomic layer deposition. In the CZTS absorber, a minor deviation from stoichiometry across the cross section of the thin film results in nanoscale growth of spurious phases, but the kesterite phase remains the dominant phase. We have investigated the band alignment parameters such as the band gap, work function, and Fermi level position that are crucial for making kesterite-based heterostructure devices. The photocurrent density in the photocathode CZTS/CdS/ZnO is found to be improved to -4.71 mAmiddotcm(-2) at -0.40 V-RHE, which is 3 times that of the pure CZTS. This enhanced photoresponse can be attributed to faster carrier separation at p-n junction regions driven by upward band bending at CZTS grain boundaries and the ZnO layer. GO as a co-catalyst over the heterostructure photocathode significantly improves the photocurrent density to -6.14 mAmiddotcm(-2) at -0.40 V-RHE by effective charge migration in the CZTS/CdS/ZnO/GO configuration, but the onset potential shifts only after application of the Al2O3 protection layer. Significant photocurrents of -29 mAmiddotcm(-2) at -0.40 V-RHE and -8 mAmiddotcm(-2) at 0 V-RHE are observed, with an onset potential of 0.7 V-RHE in CZTS/CdS/ZnO/GO/Al2O3. The heterostructure configuration and the GO co-catalyst reduce the charge-transfer resistance, while the Al2O3 top layer provides a stable photocurrent for a prolonged time (similar to 16 h). The GO co-catalyst increases the flat band potential from 0.26 to 0.46 V-RHE in CZTS/CdS/ZnO/GO, which supports the bias-induced band bending at the electrolyte-electrode interface.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000820418400001 Publication Date 2022-05-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.4 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 6.4
  Call Number UA @ admin @ c:irua:189666 Serial 7082
Permanent link to this record
 

 
Author Sebhatu, K.T.; Gezahegn, T.W.; Berhanu, T.; Maertens, M.; Van Passel, S.; D'Haese, M.
  Title (up) Exploring variability across cooperatives : economic performance of agricultural cooperatives in northern Ethiopia Type A1 Journal article
  Year 2021 Publication The international food and agribusiness management review Abbreviated Journal
  Volume 24 Issue 3 Pages 397-419
  Keywords A1 Journal article; Engineering Management (ENM)
  Abstract The number of agricultural cooperatives increased quickly in Ethiopia since the 1990s. While many papers studied the impact of membership of Ethiopian cooperatives, not much is known on their performance. This study takes a cooperative-level perspective which is unique in an African context. It compares the economic performance proxied by sales revenue and profit of a wide range of agricultural cooperatives in northern Ethiopia. Data were collected from 511 agricultural cooperatives in 12 districts of Tigray. The contributing factors of the performance are analyzed with Ordinary Least Squares regression (OLS) and Heckman selection models. Our results underscore the importance of membership size, total assets, presence of conflict among members, and union membership. Chairperson characteristics and the internal organization of a cooperative seem to be less correlated to performance.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000645416400002 Publication Date 2021-03-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1096-7508; 1559-2448 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:179025 Serial 6923
Permanent link to this record
 

 
Author Sun, P.Z.; Yagmurcukardes, M.; Zhang, R.; Kuang, W.J.; Lozada-Hidalgo, M.; Liu, B.L.; Cheng, H.-M.; Wang, F.C.; Peeters, F.M.; Grigorieva, I.V.; Geim, A.K.
  Title (up) Exponentially selective molecular sieving through angstrom pores Type A1 Journal article
  Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun
  Volume 12 Issue 1 Pages 7170
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Two-dimensional crystals with angstrom-scale pores are widely considered as candidates for a next generation of molecular separation technologies aiming to provide extreme, exponentially large selectivity combined with high flow rates. No such pores have been demonstrated experimentally. Here we study gas transport through individual graphene pores created by low intensity exposure to low kV electrons. Helium and hydrogen permeate easily through these pores whereas larger species such as xenon and methane are practically blocked. Permeating gases experience activation barriers that increase quadratically with molecules' kinetic diameter, and the effective diameter of the created pores is estimated as similar to 2 angstroms, about one missing carbon ring. Our work reveals stringent conditions for achieving the long sought-after exponential selectivity using porous two-dimensional membranes and suggests limits on their possible performance. Two-dimensional membranes with angstrom-sized pores are predicted to combine high permeability with exceptional selectivity, but experimental demonstration has been challenging. Here the authors realize angstrom-sized pores in monolayer graphene and demonstrate gas transport with activation barriers increasing quadratically with the molecular kinetic diameter.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000728562700016 Publication Date 2021-12-09
  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 28 Open Access OpenAccess
  Notes Approved Most recent IF: 12.124
  Call Number UA @ admin @ c:irua:184840 Serial 6989
Permanent link to this record
 

 
Author Santer, R.; Schadkowski, C.; Blanchet, A.; Saison, J.-Y.; Poinsot, C.; Ramon, D.; Roekens, E.; Verlinden, L.; Van Grieken, R.; Stranger, M.; Mees, J.
  Title (up) Expositions des populations vivant au cœur de l'Euro-région auz polluants atmosphériques: le cas des poussières fines = Blootstelling van de bevolkingsgroepen wonend in het hart van de Euregio aan polluerende atmosferische deeltjes: het geval van de fijne stofdeeltjes Type Minutes and reports
  Year 2005 Publication Abbreviated Journal
  Volume Issue Pages
  Keywords Minutes and reports; 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 no
  Call Number UA @ admin @ c:irua:56167 Serial 7952
Permanent link to this record
 

 
Author Berghmans, P.; Bleux, N.; Int Panis, L.; Mishra, V.K.; Torfs, R.; Van Poppel, M.
  Title (up) Exposure assessment of a cyclist to PM10 and ultrafine particles Type A1 Journal article
  Year 2009 Publication The science of the total environment Abbreviated Journal
  Volume 407 Issue 4 Pages 1286-1298
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Estimating personal exposure to air pollution is a crucial component in identifying high-risk populations and situations. It will enable policy makers to determine efficient control strategies. Cycling is again becoming a favorite mode of transport both in developing and in developed countries due to increasing traffic congestion and environmental concerns. in Europe, it is also seen as a healthy sports activity. However, due to high levels of hazardous pollutants in the present day road microenvironment the cyclist might be at a higher health risk due to higher breathing rate and proximity to the vehicular exhaust. In this paper we present estimates of the exposure of a cyclist to particles of various size fractions including ultrafine particles (UFP) in the town of Mol (Flanders, Belgium). The results indicate relatively higher UFP concentration exposure during morning office hours and moderate UFP levels during afternoon. The major sources of UFP and PM(10) were identified, which are vehicular emission and construction activities, respectively. We also present a dust mapping technique which can be a useful tool for town planners and local policy makers. (C) 2008 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000262573200005 Publication Date 2008-12-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0048-9697; 1879-1026 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:94563 Serial 7953
Permanent link to this record
 

 
Author Jin, L.; Batuk, M.; Kirschner, F.K.K.; Lang, F.; Blundell, S.J.; Hadermann, J.; Hayward, M.A.
  Title (up) Exsolution of SrO during the Topochemical Conversion of LaSr3CoRuO8to the Oxyhydride LaSr3CoRuO4H4 Type A1 Journal article
  Year 2019 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
  Volume 58 Issue 21 Pages 14863-14870
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Reaction of the n = 1 Ruddlesden-Popper oxide LaSr3CoRuO8 with CaH2 yields the oxyhydride phase LaSr3CoRuO4H4 via topochemical anion-exchange. Close inspection of X-ray and neutron powder diffraction data in combination with HAADF-STEM images reveals that nanoparticles of SrO are exsolved from the system during the reaction, with the change in cation stoichiometry accommodated by the inclusion of n > 1 (Co/Ru)nOn+1H2n ‘perovskite’ layers into the Ruddlesden-Popper stacking sequence. This novel pseudo-topochemical process offers a new route for the formation of n > 1 Ruddlesden-Popper structured materials. Magnetization data are consistent with a LaSr3Co1+Ru2+O4H4 (Co1+, d8, S = 1; Ru2+, d6, S = 0) oxidation/spin state combination. Neutron diffraction and μ+SR data show no evidence for long-range magnetic order down to 2 K, suggesting the diamagnetic Ru2+ centers impede the Co-Co magnetic exchange interactions.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000494894400062 Publication Date 2019-11-04
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.857 Times cited 1 Open Access
  Notes We thank P. Manuel for assistance collecting the neutron powder diffraction data. We thank The Leverhulme Trust grant award RPG-2014-366 “Topochemical reduction of 4d and 5d transition metal oxides” for supporting this work. Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE13284). Investigation by TEM was supported through the FWO grant G035619N. Approved Most recent IF: 4.857
  Call Number EMAT @ emat @c:irua:164625 Serial 5434
Permanent link to this record
 

 
Author Vagov, A.V.; Shanenko, A.A.; Milošević, M.V.; Axt, V.M.; Peeters, F.M.
  Title (up) Extended Ginzburg-Landau formalism : systematic expansion in small deviation from the critical temperature Type A1 Journal article
  Year 2012 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 85 Issue 1 Pages 014502-014502,17
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Based on the Gor'kov formalism for a clean s-wave superconductor, we develop an extended version of the single-band Ginzburg-Landau (GL) theory by means of a systematic expansion in the deviation from the critical temperature T(c), i.e., tau = 1 – T/T(c). We calculate different contributions to the order parameter and the magnetic field: the leading contributions (proportional to tau(1/2) in the order parameter and. t in the magnetic field) are controlled by the standard GL theory, while the next-to-leading terms (proportional to tau(3/2) in the gap and proportional to tau(2) in the magnetic field) constitute the extended GL (EGL) approach. We derive the free-energy functional for the extended formalism and the corresponding expression for the current density. To illustrate the usefulness of our formalism, we calculate, in a semianalytical form, the temperature-dependent correction to the GL parameter at which the surface energy becomes zero, and analytically, the temperature dependence of the thermodynamic critical field. We demonstrate that the EGL formalism is not just a mathematical extension to the theory: variations of both the gap and the thermodynamic critical field with temperature calculated within the EGL theory are found in very good agreement with the full BCS results down to low temperatures, which dramatically improves the applicability of the formalism compared to its standard predecessor.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000298985100002 Publication Date 2012-01-10
  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 36 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). A. V. V. is grateful to V. Zalipaev for important comments. A. A. S. thanks W. Pogosov for helpful notes. Discussions with E. H. Brandt and A. Perali are appreciated. ; Approved Most recent IF: 3.836; 2012 IF: 3.767
  Call Number UA @ lucian @ c:irua:96232 Serial 1155
Permanent link to this record
 

 
Author Shanenko, A.A.; Milošević, M.V.; Peeters, F.M.
  Title (up) Extended Ginzburg-Landau formalism for two-band superconductors Type A1 Journal article
  Year 2011 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 106 Issue 4 Pages 047005-047005,4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Recent observation of unusual vortex patterns in MgB2 single crystals raised speculations about possible type-1.5 superconductivity in two-band materials, mixing the properties of both type-I and type-II superconductors. However, the strict application of the standard two-band Ginzburg-Landau (GL) theory results in simply proportional order parameters of the two bandsand does not support the type-1.5 behavior. Here we derive the extended GL formalism (accounting all terms of the next order over the small τ=1-T/Tc parameter) for a two-band clean s-wave superconductor and show that the two condensates generally have different spatial scales, with the difference disappearing only in the limit T→Tc. The extended version of the two-band GL formalism improves the validity of GL theory below Tc and suggests revisiting the earlier calculations based on the standard model.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000286734100010 Publication Date 2011-01-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 84 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-INSTANS network. Discussions with M. D. Croitoru are gratefully acknowledged. ; Approved Most recent IF: 8.462; 2011 IF: 7.370
  Call Number UA @ lucian @ c:irua:88038 Serial 1154
Permanent link to this record
 

 
Author Verbist, G.; Peeters, F.M.; Devreese, J.T.
  Title (up) Extended stability region for large bipolarons through interaction with multiple phonon branches Type A1 Journal article
  Year 1992 Publication Ferroelectrics Abbreviated Journal Ferroelectrics
  Volume 130 Issue 1-3 Pages 27-34
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
  Abstract The large (bi)polaron is investigated for the case where the electron interacts with multiple LO-phonon branches. Explicit expressions for the groundstate energy and the effective mass are obtained within the Feynman polaron model approximation and they are applied to the material SrTiO3. The results of an effective LO-phonon branch approximation are compared with the results in which all LO-phonon branches are explicitly included. We show how the stability region for large bipolaron formation is enlarged when the electrons interact with multiple LO-phonon branches. The possible relevance of this result for the high-T(c) superconductors is pointed out.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos A1992JV42600004 Publication Date 2011-03-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0015-0193;1563-5112; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 0.469 Times cited 19 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:103065 Serial 1157
Permanent link to this record
 

 
Author Bal, K.M.; Neyts, E.C.
  Title (up) Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory Type A1 Journal article
  Year 2022 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys
  Volume 157 Issue 18 Pages 184113-10
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract We calculate bubble nucleation rates in a Lennard-Jones fluid through explicit molecular dynamics simulations. Our approach-based on a recent free energy method (dubbed reweighted Jarzynski sampling), transition state theory, and a simple recrossing correction-allows us to probe a fairly wide range of rates in several superheated and cavitation regimes in a consistent manner. Rate predictions from this approach bridge disparate independent literature studies on the same model system. As such, we find that rate predictions based on classical nucleation theory, direct brute force molecular dynamics simulations, and seeding are consistent with our approach and one another. Published rates derived from forward flux sampling simulations are, however, found to be outliers. This study serves two purposes: First, we validate the reliability of common modeling techniques and extrapolation approaches on a paradigmatic problem in materials science and chemical physics. Second, we further test our highly generic recipe for rate calculations, and establish its applicability to nucleation processes.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000885260600002 Publication Date 2022-11-14
  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 OpenAccess
  Notes Approved Most recent IF: 4.4
  Call Number UA @ admin @ c:irua:192076 Serial 7266
Permanent link to this record
 

 
Author Kirsanova, M.A.; Olenev, A.V.; Abakumov, A.M.; Bykov, M.A.; Shevelkov, A.V.
  Title (up) Extension of the clathrate family : the type X clathrate Ge79P29S18Te6 Type A1 Journal article
  Year 2011 Publication Angewandte Chemie: international edition in English Abbreviated Journal Angew Chem Int Edit
  Volume 50 Issue 10 Pages 2371-2374
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow).
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000288036300033 Publication Date 2011-01-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1433-7851; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 11.994 Times cited 23 Open Access
  Notes Approved Most recent IF: 11.994; 2011 IF: 13.455
  Call Number UA @ lucian @ c:irua:88793 Serial 1158
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