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Author Amin-Ahmadi, B.
  Title Adanced TEM investigation of the elementary plsticity mechanisms in palladium thin films at the nano scale Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  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:125236 Serial 56
Permanent link to this record
 

 
Author Zhang, L.
  Title Effects of quantum confinement in nanoscale superconductors : from electronic density of states to vortex matter Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  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:126085 Serial 870
Permanent link to this record
 

 
Author Sivek, J.
  Title First-principles characterization and functionalization of graphene-like materials Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  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:125632 Serial 1204
Permanent link to this record
 

 
Author Govaerts, K.
  Title First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  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:126206 Serial 1218
Permanent link to this record
 

 
Author Sarmadian, N.
  Title Identification of thin-film photovoltaic cell materials based on high-throughput first-principles calculations Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  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:126078 Serial 1551
Permanent link to this record
 

 
Author Roose, D.
  Title Magnetic resonance imaging and electron microscopy of iron oxide particles in the brain Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Universiteit Antwerpen, Faculteit Farmaceutische, Biomedische en Diergeneeskundige Wetenschappen, Departement Biomedische Wetenschappen 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:123897 Serial 1889
Permanent link to this record
 

 
Author Grujić, M.M.
  Title Manifestations of intrinsic and induced magnetic properties of graphene nanostructures Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher University of Antwerp, Faculty of Sciences, Department of Physics Place of Publication Antwerp 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:126212 Serial 1939
Permanent link to this record
 

 
Author de Backer, A.
  Title Quantitative atomic resolution electron microscopy using advanced statistical techniques Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  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:125636 Serial 2747
Permanent link to this record
 

 
Author Martínez Alanis, G.T.
  Title Quantitative model-based high angle annular dark field scanning transmission electron microscopy Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT); Engineering Management (ENM)
  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:122528 Serial 2759
Permanent link to this record
 

 
Author da Costa, D.R.
  Title Transport and confinement in monolayer and bilayer graphene nanostructures with different edges, interfaces and potentials Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  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:125274 Serial 3722
Permanent link to this record
 

 
Author Schoeters, B.
  Title An ab initio study of the properties of doped semiconducting nanwires Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:128354 Serial 4133
Permanent link to this record
 

 
Author Verreck, D.; Van de Put, M.L.; Verhulst, A.S.; Sorée, B.; Magnus, W.; Dabral, A.; Thean, A.; Groeseneken, G.
  Title 15-band spectral envelope function formalism applied to broken gap tunnel field-effect transistors Type P1 Proceeding
  Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal
  Volume Issue Pages (up)
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract A carefully chosen heterostructure can significantly boost the performance of tunnel field-effect transistors (TFET). Modelling of these hetero-TFETs requires a quantum mechanical (QM) approach with an accurate band structure to allow for a correct description of band-to-band-tunneling. We have therefore developed a fully QM 2D solver, combining for the first time a full zone 15-band envelope function formalism with a spectral approach, including a heterostructure basis set transformation. Simulations of GaSb/InAs broken gap TFETs illustrate the wide body capabilities and transparant transmission analysis of the formalism.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos 000380398200055 Publication Date 2015-10-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-0-692-51523-5 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:134998 Serial 4131
Permanent link to this record
 

 
Author Moors, K.; Sorée, B.; Magnus, W.
  Title Analytic solution of Ando's surface roughness model with finite domain distribution functions Type P1 Proceeding
  Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal
  Volume Issue Pages (up)
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract Ando's surface roughness model is applied to metallic nanowires and extended beyond small roughness size and infinite barrier limit approximations for the wavefunction overlaps, such as the Prange-Nee approximation. Accurate and fast simulations can still be performed without invoking these overlap approximations by averaging over roughness profiles using finite domain distribution functions to obtain an analytic solution for the scattering rates. The simulations indicate that overlap approximations, while predicting a resistivity that agrees more or less with our novel approach, poorly estimate the underlying scattering rates. All methods show that a momentum gap between left- and right-moving electrons at the Fermi level, surpassing a critical momentum gap, gives rise to a substantial decrease in resistivity.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-0-692-51523-5 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:134996 Serial 4140
Permanent link to this record
 

 
Author Somers, W.
  Title Atomic scale simulations of the interactions of plasma species on nickel catalyst surfaces Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:127915 Serial 4142
Permanent link to this record
 

 
Author Kurttepeli, M.
  Title Carbon based materials and hybrid nanostructures investigated by advanced transmission electron microscopy Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:130502 Serial 4145
Permanent link to this record
 

 
Author Van Boxem, R.
  Title Electron vortex beams : an in-depth theoretical study Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:132968 Serial 4168
Permanent link to this record
 

 
Author Guzzinati, G.
  Title Exploring electron beam shaping in transmission electron microscopy Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:130499 Serial 4180
Permanent link to this record
 

 
Author Van Havenbergh, K.
  Title Influence of silicon nanoparticle coating on the electrolyte decomposition in Li-ion batteries Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:131647 Serial 4196
Permanent link to this record
 

 
Author Van de Put, M.L.; Vandenberghe, W.G.; Magnus, W.; Sorée, B.; Fischetti, M.V.
  Title Modeling of inter-ribbon tunneling in graphene Type P1 Proceeding
  Year 2015 Publication 18th International Workshop On Computational Electronics (iwce 2015) Abbreviated Journal
  Volume Issue Pages (up)
  Keywords P1 Proceeding; Condensed Matter Theory (CMT)
  Abstract The tunneling current between two crossed graphene ribbons is described invoking the empirical pseudopotential approximation and the Bardeen transfer Hamiltonian method. Results indicate that the density of states is the most important factor determining the tunneling current between small (similar to nm) ribbons. The quasi-one dimensional nature of graphene nanoribbons is shown to result in resonant tunneling.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-0-692-51523-5 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:134997 Serial 4206
Permanent link to this record
 

 
Author Brammertz, G.; Buffiere, M.; Verbist, C.; Bekaert, J.; Batuk, M.; Hadermann, J.; et al.
  Title Process variability in Cu2ZnSnSe4 solar cell devices: Electrical and structural investigations Type P1 Proceeding
  Year 2015 Publication The conference record of the IEEE Photovoltaic Specialists Conference T2 – IEEE 42nd Photovoltaic Specialist Conference (PVSC), JUN 14-19, 2015, New Orleans, LA Abbreviated Journal
  Volume Issue Pages (up)
  Keywords P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract We have fabricated 9.7% efficient Cu2ZnSnSe4/CdS/ZnO solar cells by H2Se selenization of sequentially sputtered metal layers. Despite the good efficiency obtained, process control appears to be difficult. In the present contribution we compare the electrical and physical properties of two devices with nominal same fabrication procedure, but 1% and 9.7% power conversion efficiency respectively. We identify the problem of the lower performing device to be the segregation of ZnSe phases at the backside of the sample. This ZnSe seems to be the reason for the strong bias dependent photocurrent observed in the lower performing devices, as it adds a potential barrier for carrier collection. The reason for the different behavior of the two nominally same devices is not fully understood, but speculated to be related to sputtering variability.
  Address
  Corporate Author Thesis
  Publisher Ieee Place of Publication New york Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 978-1-4799-7944-8 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:132335 Serial 4229
Permanent link to this record
 

 
Author Altantzis, T.
  Title Three-dimensional characterization of atomic clusters, nanoparticles and their assemblies by advanced transmission electron microscopy Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Antwerpen Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ lucian @ c:irua:130493 Serial 4265
Permanent link to this record
 

 
Author De Vis, K.; Janssens, K.; Jacobs, P.; Caen, J.
  Title Dealing with architectural glasses : maintenance, monitoring and emergency treatment Type P3 Proceeding
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords P3 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
  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 978-2-9543731-1-9 Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:126833 Serial 5565
Permanent link to this record
 

 
Author Caen, J.; Legrand, S.; van der Snickt, G.; Janssens, K.
  Title Macro X-ray fluorescence (MA-XRF) scanning : a new and efficient method for documenting stained-glass panels Type P3 Proceeding
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords P3 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
  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 978-2-9543731-1-9 Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:126832 Serial 5697
Permanent link to this record
 

 
Author Van Wesenbeeck, K.; Hauchecorne, B.; Lenaerts, S.
  Title Plasmacatalysis : a sustainable and efficient indoor air treatment Type P3 Proceeding
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  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 Most recent IF: NA
  Call Number UA @ admin @ c:irua:127488 Serial 5984
Permanent link to this record
 

 
Author Grieten, E.; Storme, P.; Caen, J.; Schalm, O.; Schryvers, D.
  Title Application of atmospheric plasma-jets for the conservation of cultural heritage Type P3 Proceeding
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages (up)
  Keywords P3 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Antwerp Cultural Heritage Sciences (ARCHES)
  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:149629 Serial 7466
Permanent link to this record
 

 
Author Sankaran, K.; Clima, S.; Mees, M.; Pourtois, G.
  Title 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 (up) 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 van Oeffelen, L.; Van Roy, W.; Idrissi, H.; Charlier, D.; Lagae, L.; Borghs, G.
  Title Ion current rectification, limiting and overlimiting conductances in nanopores Type A1 Journal article
  Year 2015 Publication PLoS ONE Abbreviated Journal Plos One
  Volume 10 Issue 10 Pages (up) e0124171
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Previous reports on Poisson-Nernst-Planck (PNP) simulations of solid-state nanopores have focused on steady state behaviour under simplified boundary conditions. These are Neumann boundary conditions for the voltage at the pore walls, and in some cases also Donnan equilibrium boundary conditions for concentrations and voltages at both entrances of the nanopore. In this paper, we report time-dependent and steady state PNP simulations under less restrictive boundary conditions, including Neumann boundary conditions applied throughout the membrane relatively far away from the nanopore. We simulated ion currents through cylindrical and conical nanopores with several surface charge configurations, studying the spatial and temporal dependence of the currents contributed by each ion species. This revealed that, due to slow co-diffusion of oppositely charged ions, steady state is generally not reached in simulations or in practice. Furthermore, it is shown that ion concentration polarization is responsible for the observed limiting conductances and ion current rectification in nanopores with asymmetric surface charges or shapes. Hence, after more than a decade of collective research attempting to understand the nature of ion current rectification in solid-state nanopores, a relatively intuitive model is retrieved. Moreover, we measured and simulated current-voltage characteristics of rectifying silicon nitride nanopores presenting overlimiting conductances. The similarity between measurement and simulation shows that overlimiting conductances can result from the increased conductance of the electric double-layer at the membrane surface at the depletion side due to voltage-induced polarization charges.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000354916100012 Publication Date 2015-05-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-6203; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.806 Times cited 11 Open Access
  Notes Approved Most recent IF: 2.806; 2015 IF: 3.234
  Call Number c:irua:126366 Serial 1744
Permanent link to this record
 

 
Author McCalla, E.; Prakash, A.S.; Berg, E.; Saubanere, M.; Abakumov, A.M.; Foix, D.; Klobes, B.; Sougrati, M.T.; Rousse, G.; Lepoivre, F.; Mariyappan, S.; Doublet, M.L.; Gonbeau, D.; Novak, P.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.;
  Title Reversible Li-intercalation through oxygen reactivity in Li-rich Li-Fe-Te oxide materials Type A1 Journal article
  Year 2015 Publication Journal of the electrochemical society Abbreviated Journal J Electrochem Soc
  Volume 162 Issue 162 Pages (up) A1341-A1351
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Lithium-rich oxides are a promising class of positive electrode materials for next generation lithium-ion batteries, and oxygen plays a prominent role during electrochemical cycling either by forming peroxo-like species and/or by irreversibly forming oxygen gas during first charge. Here, we present Li-Fe-Te-O materials which show a tremendous amount of oxygen gas release. This oxygen release accounts for nearly all the capacity during the first charge and results in vacancies as seen by transmission electron microscopy. There is no oxidation of either metal during charge but significant changes in their environments. These changes are particularly extreme for tellurium. XRD and neutron powder diffraction both show limited Changes during cycling and no appreciable change in lattice parameters. A density functional theory study of this material is performed and demonstrates that the holes created on some of the oxygen atoms upon oxidation are partially stabilized through the formation of shorter O-O bonds, i.e. (O-2)(n-) species which on further delithiation show a spontaneous O-2 de-coordination from the cationic network and migration to the now empty lithium layer. The rate limiting step during charge is undoubtedly the diffusion of oxygen either out along the lithium layer or via columns of oxygen atoms. (C) 2015 The Electrochemical Society. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000355643700030 Publication Date 2015-04-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0013-4651;1945-7111; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.259 Times cited 23 Open Access
  Notes Approved Most recent IF: 3.259; 2015 IF: 3.266
  Call Number c:irua:126445 Serial 2903
Permanent link to this record
 

 
Author Kamaraj, B.; Bogaerts, A.
  Title Structure and function of p53-DNA complexes with inactivation and rescue mutations : a molecular dynamics simulation study Type A1 Journal article
  Year 2015 Publication PLoS ONE Abbreviated Journal Plos One
  Volume 10 Issue 10 Pages (up) e0134638
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract The tumor suppressor protein p53 can lose its function upon DNA-contact mutations (R273C and R273H) in the core DNA-binding domain. The activity can be restored by second-site suppressor or rescue mutations (R273CT284R, R273HT284R, and R273HS240R). In this paper, we elucidate the structural and functional consequence of p53 proteins upon DNA-contact mutations and rescue mutations and the underlying mechanisms at the atomic level by means of molecular dynamics simulations. Furthermore, we also apply the docking approach to investigate the binding phenomena between the p53 protein and DNA upon DNA-contact mutations and rescue mutations. This study clearly illustrates that, due to DNA-contact mutants, the p53 structure loses its stability and becomes more rigid than the native protein. This structural loss might affect the p53-DNA interaction and leads to inhibition of the cancer suppression. Rescue mutants (R273CT284R, R273HT284R and R273HS240R) can restore the functional activity of the p53 protein upon DNA-contact mutations and show a good interaction between the p53 protein and a DNA molecule, which may lead to reactivate the cancer suppression function. Understanding the effects of p53 cancer and rescue mutations at the molecular level will be helpful for designing drugs for p53 associated cancer diseases. These drugs should be designed so that they can help to inhibit the abnormal function of the p53 protein and to reactivate the p53 function (cell apoptosis) to treat human cancer.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000359061400096 Publication Date 2015-08-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-6203; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.806 Times cited Open Access
  Notes Approved Most recent IF: 2.806; 2015 IF: 3.234
  Call Number c:irua:126779 Serial 3278
Permanent link to this record
 

 
Author Yao, X.; Cao, S.; Zhang, X.P.; Schryvers, D.
  Title Microstructural Characterization and Transformation Behavior of Porous Ni50.8Ti49.2 Type P1 Proceeding
  Year 2015 Publication Materials Today: Proceedings Abbreviated Journal
  Volume 2 Issue 2 Pages (up) S833-S836
  Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
  Abstract Porous Ni50.8Ti49.2 bulk material was prepared by powder metallurgy sintering. Solid solution and aging treatments were applied to improve the phase homogeneity and phase transformation behavior. Scanning and transmission electron microscopy, aided by energy dispersive X-ray analysis, were used to study the microstructure and chemical phase content of the alloys. In-situ cooling was carried out to observe the phase transformation behavior. As-received material contains dispersed Ni2Ti4O particles while Ni4Ti3 precipitates appear after aging. Close to pore edges, the latter have a preferential orientation due to the induced stress fields in the matrix.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000371032100081 Publication Date 2015-11-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2214-7853 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes The author gratefully acknowledges the Chinese Scholarship Council (CSC) for providing a scholarship and the Key Project of the Natural Science Foundation of Guangdong Province under grant No. S2013020012805. Approved Most recent IF: NA
  Call Number c:irua:129980 Serial 3989
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