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Author | Huve, M.; Martin, C.; Maignan, A.; Michel, C.; Van Tendeloo, G.; Hervieu, M.; Raveau, B. | ||||
Title | A new cuprate with mercury bilayers : the “2222” oxide Hg2-xMxBa2Pr2Cu2O10-\delta (M= Cu,Pr) | Type | A1 Journal article | ||
Year | 1995 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
Volume | 114 | Issue | 1 | Pages | 230-235 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | A ''2222'' cuprate with mercury bilayers (Hg1.5Cu0.2Pr0.3)Ba2Pr2Cu2O10-delta, has been synthesized for the first time. It crystallizes in the P4/nmm space group with a = 3.9072(1) Angstrom and c = 17.219(1) Angstrom. The powder XRD and HREM studies of this new cuprate show that its structure consists of an intergrowth of double pyramidal (oxygen-deficient perovskite) copper layers, with double fluorite-type layers and distorted triple rock salt layers (mercury bilayers). The structure of this phase can be deduced from that of the ''2212'' mercury cuprate (Hg1.5Cu0.2Pr0.3)Ba2PrCu2O8-delta by the introduction of one additional [PrO2]infinity fluorite layer. The regular stacking of the metallic layer and the uniform cationic distribution in the mercury bilayers are remarkable features of this cuprate. The stabilization of the mercury bilayers by praseodymium and the absence of superconductivity are discussed. (C) 1995 Academic Press, Inc. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1995QA17000033 | Publication Date | 2002-10-07 | |
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 | 2.133 | Times cited | 6 | Open Access | |
Notes | Approved | PHYSICS, APPLIED 28/145 Q1 # | |||
Call Number | UA @ lucian @ c:irua:104448 | Serial | 2310 | ||
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Author | Frangis, N.; Van Tendeloo, G.; van Landuyt, J.; Kaltsas, G.; Travlos, A.; Nassiopoulos, A.G. | ||||
Title | New erbium silicide superstructures: a study by high resolution electron microscopy | Type | A1 Journal article | ||
Year | 1996 | Publication | Physica status solidi: A: applied research | Abbreviated Journal | |
Volume | 158 | Issue | Pages | 107-116 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | A1996VY72800013 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-8965 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | Approved | PHYSICS, APPLIED 28/145 Q1 # | |||
Call Number | UA @ lucian @ c:irua:15460 | Serial | 2313 | ||
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Author | Held, A.; Taylor, P.; Ingelbrecht, C.; de Bièvre, P.; Broekaert, J.; van Straaten, M.; Gijbels, R. | ||||
Title | Determination of scandium in high-purity titanium using inductively coupled plasma mass spectrometry and glow discharge mass spectrometry as part of its certification as a reference material | Type | A1 Journal article | ||
Year | 1995 | Publication | Journal of analytical atomic spectrometry | Abbreviated Journal | J Anal Atom Spectrom |
Volume | 10 | Issue | Pages | 849-852 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
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Publisher | Place of Publication | London | Editor | ||
Language | Wos | A1995TB75500024 | Publication Date | 2004-04-20 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0267-9477;1364-5544; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.466 | Times cited | 6 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:12265 | Serial | 671 | ||
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Author | Amelinckx, S.; Van Tendeloo, G. | ||||
Title | Electron microscopy of recent high Tc superconductors | Type | A1 Journal article | ||
Year | 1994 | Publication | Physica: C : superconductivity | Abbreviated Journal | Physica C |
Volume | 235/240 | Issue | Pages | 162-165 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1994QA39000044 | Publication Date | 2002-10-17 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0921-4534; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 0.942 | Times cited | 6 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:10045 | Serial | 963 | ||
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Author | Langerak, C.J.G.M.; Singleton, J.; Perenboom, J.A.A.; Devreese, J.T.; Barnes, D.J.; Nicholas, R.J.; Huant, S.; Harris, J.J.; Foxon, C.T.; Etienne, B.; Peeters, F.M. | ||||
Title | Far-infrared magneto-optical studies of the polaron effect in low dimensional GaAs-(Ga,Al)As structures | Type | A1 Journal article | ||
Year | 1991 | Publication | Physica scripta | Abbreviated Journal | Phys Scripta |
Volume | T39 | Issue | Pages | 308-313 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems | ||||
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Publisher | Place of Publication | Stockholm | Editor | ||
Language | Wos | A1991GV57300048 | Publication Date | 2007-01-26 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-8949;1402-4896; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.126 | Times cited | 6 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:944 | Serial | 1173 | ||
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Author | Vanhellemont, J.; Claeys, C.; van Landuyt, J. | ||||
Title | In-situ HVEM study of dislocation generation in patterned stress fields at silicon surfaces | Type | A1 Journal article | ||
Year | 1995 | Publication | Physica status solidi: A: applied research | Abbreviated Journal | |
Volume | 150 | Issue | Pages | 497-506 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Berlin | Editor | ||
Language | Wos | A1995RQ21500043 | Publication Date | 2007-01-12 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-8965;1521-396X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:13293 | Serial | 1582 | ||
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Author | Verbist, K.; Van Tendeloo, G.; Ye, M.; Schroeder, J.; Mehbod, M.; Deltour, R. | ||||
Title | Inclusions in magnetron sputtered YBa2Cu3-x MxO7-d thin films: a study by means of electron microscopy | Type | A1 Journal article | ||
Year | 1996 | Publication | Microscopy, microanalysis, microstructures | Abbreviated Journal | |
Volume | 7 | Issue | Pages | 17-25 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Ivry | Editor | ||
Language | Wos | A1996UD94200002 | Publication Date | 2003-08-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1154-2799; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:15463 | Serial | 1592 | ||
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Author | Fanidis, C.; van Dyck, D.; van Landuyt, J. | ||||
Title | Inelastic scattering of high-energy electrons in a crystal in thermal equilibrium with the environment: part 2: solution of the equations and applications to concrete cases | Type | A1 Journal article | ||
Year | 1993 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
Volume | 48 | Issue | Pages | 133-164 | |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1993KM78800013 | Publication Date | 0000-00-00 | |
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 | 2.436 | Times cited | 6 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:6782 | Serial | 1609 | ||
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Author | Martin, C.; Hervieu, M.; Van Tendeloo, G.; Goutenoire, F.; Michel, C.; Maignan, A.; Raveau, B. | ||||
Title | A mercury based cuprate with the “2212” structure: Hg2-x(Cu,Pr)xBa2PrCu2O8-\delta | Type | A1 Journal article | ||
Year | 1995 | Publication | Solid state communications | Abbreviated Journal | Solid State Commun |
Volume | 93 | Issue | 1 | Pages | 53-56 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | New York, N.Y. | Editor | ||
Language | Wos | A1995PW08800013 | Publication Date | 0000-00-00 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0038-1098 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.897 | Times cited | 6 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:13761 | Serial | 1995 | ||
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Author | Shi, J.M.; Peeters, F.M.; Devreese, J.T. | ||||
Title | Transition energies of D- centers in a superlattice | Type | A1 Journal article | ||
Year | 1994 | Publication | Surface science : a journal devoted to the physics and chemistry of interfaces | Abbreviated Journal | Surf Sci |
Volume | 305 | Issue | Pages | 220-224 | |
Keywords | A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Amsterdam | Editor | ||
Language | Wos | A1994ND67400039 | Publication Date | 2002-10-18 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0039-6028; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 1.925 | Times cited | 6 | Open Access | |
Notes | Approved | no | |||
Call Number | UA @ lucian @ c:irua:9272 | Serial | 3698 | ||
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Author | Mirzakhani, M.; Zarenia, M.; Vasilopoulos, P.; Peeters, F.M. | ||||
Title | Electrostatically confined trilayer graphene quantum dots | Type | A1 Journal article | ||
Year | 2017 | Publication | Physical review B | Abbreviated Journal | |
Volume | 95 | Issue | 15 | Pages | 155434 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Electrically gating of trilayer graphene (TLG) opens a band gap offering the possibility to electrically engineer TLG quantum dots. We study the energy levels of such quantum dots and investigate their dependence on a perpendicular magnetic field B and different types of stacking of the graphene layers. The dots are modeled as circular and confined by a truncated parabolic potential which can be realized by nanostructured gates or position-dependent doping. The energy spectra exhibit the intervalley symmetry E-K(e) (m) = -E (h)(K') (m) for the electron (e) and hole (h) states, where m is the angular momentum quantum number and K and K' label the two valleys. The electron and hole spectra for B = 0 are twofold degenerate due to the intervalley symmetry E-K (m) = E-K' [-(m + 1)]. For both ABC [alpha = 1.5 (1.2) for large (small) R] and ABA (alpha = 1) stackings, the lowest-energy levels show approximately a R-alpha dependence on the dot radius R in contrast with the 1/R-3 one for ABC-stacked dots with infinite-mass boundary. As functions of the field B, the oscillator strengths for dipole-allowed transitions differ drastically for the two types of stackings. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000399797200003 | Publication Date | 2017-04-22 | |
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 | Times cited | 6 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:152652 | Serial | 7878 | ||
Permanent link to this record | |||||
Author | Milovanović, S.P.; Peeters, F.M. | ||||
Title | Strained graphene structures : from valleytronics to pressure sensing | Type | P1 Proceeding | ||
Year | 2018 | Publication | Nanostructured Materials For The Detection Of Cbrn | Abbreviated Journal | |
Volume | Issue | Pages | 3-17 T2 - NATO Advanced Research Workshop on Nanos | ||
Keywords | P1 Proceeding; Pharmacology. Therapy; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
Abstract | Due to its strong bonds graphene can stretch up to 25% of its original size without breaking. Furthermore, mechanical deformations lead to the generation of pseudo-magnetic fields (PMF) that can exceed 300 T. The generated PMF has opposite direction for electrons originating from different valleys. We show that valley-polarized currents can be generated by local straining of multi-terminal graphene devices. The pseudo-magnetic field created by a Gaussian-like deformation allows electrons from only one valley to transmit and a current of electrons from a single valley is generated at the opposite side of the locally strained region. Furthermore, applying a pressure difference between the two sides of a graphene membrane causes it to bend/bulge resulting in a resistance change. We find that the resistance changes linearly with pressure for bubbles of small radius while the response becomes non-linear for bubbles that stretch almost to the edges of the sample. This is explained as due to the strong interference of propagating electronic modes inside the bubble. Our calculations show that high gauge factors can be obtained in this way which makes graphene a good candidate for pressure sensing. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000477758900001 | Publication Date | 2018-07-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 978-94-024-1306-9; 978-94-024-1304-5; 978-94-024-1303-8; 978-94-024-1303-8 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | Approved | no | |||
Call Number | UA @ admin @ c:irua:161972 | Serial | 8583 | ||
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Author | Trolliard, G.; Benmechta, R.; Mercurio, D.; Lebedev, O.I. | ||||
Title | The determination of the interface structure between ionocovalent compounds: the general case study of the Al2O3/ZrO2 large mis-fit system | Type | A1 Journal article | ||
Year | 2006 | Publication | Journal of materials chemistry | Abbreviated Journal | J Mater Chem |
Volume | 16 | Issue | 36 | Pages | 3640-3650 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Cambridge | Editor | ||
Language | Wos | 000240501100009 | Publication Date | 2006-08-23 | |
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 | 6 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:60793 | Serial | 677 | ||
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Author | Petrović, D.; Martens, T.; van Dijk, J.; Brok, W.J.M.; Bogaerts, A. | ||||
Title | Modeling of a dielectric barrier discharge used as a flowing chemical reactor | Type | A1 Journal article | ||
Year | 2008 | Publication | Journal of physics : conference series | Abbreviated Journal | |
Volume | 133 | Issue | Pages | 012023,1-012023,8 | |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | Our aim is to develop and optimize a model for a dielectric barrier discharge used as a chemical reactor for gas treatment. In order to determine the optimum operating conditions, we have studied the influence of the gas flow rate, reactor geometry and applied voltage parameters on the discharge characteristics. For this purpose, a two-dimensional time-dependent fluid model has been applied to an atmospheric pressure DBD in helium with nitrogen impurities, in a cylindrical geometry. The numerical model is based on the continuity and flux equations for each type of particles treated, the electron energy equation and the Poisson equation. The gas flow is incorporated in the flux equations as a source term. The set of coupled partial differential equations is solved by the so-called modified strongly implicit method. The background gas flow is numerically treated separately, assuming in the model that there is no influence of the plasma on the flow. Indeed, the gas convection velocity is calculated using the commercial code Fluent and it is used as input into the 2D fluid model. The plasma characteristics have been studied in terms of gas flow rate, applied voltage amplitude and frequency, and geometrical effects. The electric currents as a function of time for a given applied potential have been obtained, as well as the number densities and fluxes of plasma species. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Bristol | Editor | ||
Language | Wos | 000265684100023 | Publication Date | 2008-11-07 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1742-6596; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:71282 | Serial | 2115 | ||
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Author | Sieger, M.; Pahlke, P.; Hanisch, J.; Sparing, M.; Bianchetti, M.; MacManus-Driscoll, J.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Nast, R.; Schultz, L.; Holzapfel, B.; Huhne, R. | ||||
Title | Ba2Y(Nb/Ta)O6–Doped YBCO Films on Biaxially Textured Ni–5at.% W Substrates | Type | A1 Journal article | ||
Year | 2016 | Publication | IEEE transactions on applied superconductivity | Abbreviated Journal | |
Volume | 26 | Issue | 26 | Pages | 1-5 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The incorporation of nanoscaled pinning centers in superconducting YBa2Cu3O7-d (YBCO) films is one of the core topics to enhance the critical current density Jc(B, Q) of coated conductors. The mixed double-perovskite Ba2Y(Nb/Ta)O6 (BYNTO) can be grown in nanosized columns parallel the YBCO c-axis and in step-like patterns, making it customizable to meet specific working conditions (T, B, Q). We compare a 1.6 μm thick film of pure YBCO and a similar film with additional 5 mol% of BYNTO, grown by pulsed laser deposition with a growth rate of 1.6 nm/s on buffered biaxially textured Ni-5at.% W tape. Our doped sample shows nanosized BYNTO columns parallel cYBCO and plates in the ab-plane containing Y, Nb and Ta. An improved homogeneity of the critical current density Jc over the sample was evaluated from trapped field profiles measured with a scanning Hall probe microscope. The mean Jc in rolling direction of the tape is 1.8 MA/cm² (77 K, self-field) and doubles the value of the undoped sample. Angular dependent measurements of the critical current density, Jc(Q), show a decreased anisotropy of the doped film for various magnetic fields at 77 K as well as 64 K. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000375581500001 | Publication Date | 2016-03-08 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 1051-8223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | This work was supported by EUROTAPES, a collaborative project funded by the European Commission’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432. | Approved | Most recent IF: NA | ||
Call Number | c:irua:133781 | Serial | 4079 | ||
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Author | Van Havenbergh, K.; Turner, S.; Marx, N.; Van Tendeloo, G. | ||||
Title | The mechanical behavior during (de)lithiation of coated silicon nanoparticles as anode material for lithium-ion batteries studied by InSitu transmission electron microscopy | Type | A1 Journal article | ||
Year | 2016 | Publication | Energy technology | Abbreviated Journal | Energy Technol-Ger |
Volume | 4 | Issue | 4 | Pages | 1005-1012 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
Abstract | One approach to cope with the continuous irreversible capacity loss in Si-based electrodes, attributed to lithiation-induced volume changes and the formation of a solid-electrolyte interface (SEI), is by coating silicon nanoparticles. A coating can improve the conductivity of the electrode, form a chemical shield against the electrolyte, or provide mechanical confinement to reduce the volume increase. The influence of such a coating on the mechanical behavior of silicon nanoparticles during Li insertion and Li extraction was investigated by insitu transmission electron microscopy. The type of coating was shown to influence the size of the unreacted core that remains after reaction of silicon with lithium. Furthermore, two mechanisms to relieve the stress generated during volume expansion are reported: the initiation of cracks and the formation of nanovoids. Both result in a full reaction of the silicon nanoparticles, whereas with the formation of cracks, additional surface area is created, on which an SEI can be formed. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000382549500012 | Publication Date | 2016-06-29 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2194-4296; 2194-4288 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 2.789 | Times cited | 6 | Open Access | |
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:137167 | Serial | 4406 | ||
Permanent link to this record | |||||
Author | Houssa, M.; van den Broek, B.; Scalise, E.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A. | ||||
Title | Theoretical study of silicene and germanene | Type | P1 Proceeding | ||
Year | 2013 | Publication | Graphene, Ge/iii-v, And Emerging Materials For Post Cmos Applications 5 | Abbreviated Journal | |
Volume | Issue | Pages | |||
Keywords | P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
Abstract | The structural and electronic properties of silicene and germanene on metallic and non-metallic substrates are investigated theoretically, using first-principles simulations. We first study the interaction of silicene with Ag(111) surfaces, focusing on the (4x4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), silicene is predicted to be semiconducting, with a computed energy gap of about 0.3 eV. However, the charge transfer occurring at the silicene/Ag(111) interface leads to an overall metallic system. We next investigate the interaction of silicene and germanene with hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (semiconducting) (0001) ZnS or ZnSe surfaces, silicene and germanene are found to be semiconducting. Remarkably, the nature (indirect or direct) and magnitude of their energy band gap can be controlled by an out-of-plane electric field. | ||||
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Publisher | Electrochemical soc inc | Place of Publication | Pennington | Editor | |
Language | Wos | 000354468000006 | Publication Date | 2013-05-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 978-1-60768-374-2; 978-1-62332-023-2 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ lucian @ c:irua:134451 | Serial | 4529 | ||
Permanent link to this record | |||||
Author | Van Loenhout, J.; Flieswasser, T.; Freire Boullosa, L.; De Waele, J.; Van Audenaerde, J.; Marcq, E.; Jacobs, J.; Lin, A.; Lion, E.; Dewitte, H.; Peeters, M.; Dewilde, S.; Lardon, F.; Bogaerts, A.; Deben, C.; Smits, E. | ||||
Title | Cold Atmospheric Plasma-Treated PBS Eliminates Immunosuppressive Pancreatic Stellate Cells and Induces Immunogenic Cell Death of Pancreatic Cancer Cells | Type | A1 Journal article | ||
Year | 2019 | Publication | Cancers | Abbreviated Journal | Cancers |
Volume | 11 | Issue | 10 | Pages | 1597 |
Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Laboratory for Experimental Hematology (LEH); Center for Oncological Research (CORE) | ||||
Abstract | Pancreatic ductal adenocarcinoma (PDAC) is one of the most aggressive cancers with a low response to treatment and a five-year survival rate below 5%. The ineffectiveness of treatment is partly because of an immunosuppressive tumor microenvironment, which comprises tumor-supportive pancreatic stellate cells (PSCs). Therefore, new therapeutic strategies are needed to tackle both the immunosuppressive PSC and pancreatic cancer cells (PCCs). Recently, physical cold atmospheric plasma consisting of reactive oxygen and nitrogen species has emerged as a novel treatment option for cancer. In this study, we investigated the cytotoxicity of plasma-treated phosphate-buffered saline (pPBS) using three PSC lines and four PCC lines and examined the immunogenicity of the induced cell death. We observed a decrease in the viability of PSC and PCC after pPBS treatment, with a higher efficacy in the latter. Two PCC lines expressed and released damage-associated molecular patterns characteristic of the induction of immunogenic cell death (ICD). In addition, pPBS-treated PCC were highly phagocytosed by dendritic cells (DCs), resulting in the maturation of DC. This indicates the high potential of pPBS to trigger ICD. In contrast, pPBS induced no ICD in PSC. In general, pPBS treatment of PCCs and PSCs created a more immunostimulatory secretion profile (higher TNF-α and IFN-γ, lower TGF-β) in coculture with DC. Altogether, these data show that plasma treatment via pPBS has the potential to induce ICD in PCCs and to reduce the immunosuppressive tumor microenvironment created by PSCs. Therefore, these data provide a strong experimental basis for further in vivo validation, which might potentially open the way for more successful combination strategies with immunotherapy for PDAC. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000498826000194 | Publication Date | 2019-10-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2072-6694 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | Universiteit Antwerpen, NA ; Fonds Wetenschappelijk Onderzoek, 11E7719N 1121016N 1S32316N 12S9218N 12E3916N ; Agentschap Innoveren en Ondernemen, 141433 ; Kom op tegen Kanker, NA ; Stichting Tegen Kanker, STK2014-155 ; The authors express their gratitude to Christophe Hermans, Céline Merlin, Hilde Lambrechts, and Hans de Reu for technical assistance; and to VITO for the use of the MSD reader (Mol, Belgium). | Approved | Most recent IF: NA | ||
Call Number | PLASMANT @ plasmant @c:irua:163328 | Serial | 5436 | ||
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Author | van Loon, A.; Noble, P.; Krekeler, A.; van der Snickt, G.; Janssens, K.; Abe, Y.; Nakai, I.; Dik, J. | ||||
Title | Artificial orpiment, a new pigment in Rembrandt's palette | Type | A1 Journal article | ||
Year | 2017 | Publication | Heritage science | Abbreviated Journal | |
Volume | 5 | Issue | Pages | 26 | |
Keywords | A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | This paper reports on how the application of macro X-ray fluorescence (MA-XRF) imaging, in combination with the re-examination of existing paint cross-sections, has led to the discovery of a new pigment in Rembrandt's palette: artificial orpiment. In the NWO Science4Arts 'ReVisRembrandt' project, novel chemical imaging techniques are being developed and applied to the study of Rembrandt's late paintings in order to help resolve outstanding questions and to gain a better understanding of his late enigmatic painting technique. One of the selected case studies is the Portrait of a Couple as Isaac and Rebecca, known as 'The Jewish Bride', dated c. 1665 and on view in the Rijksmuseum. During the re-installation of the Rijksmuseum in 2013, the picture was scanned using the Bruker M6 Jetstream MAXRF scanner. The resulting elemental distribution maps made it possible to distinguish many features in the painting, such as bone black remains of the original hat (P, Ca maps), and the now discolored smalt-rich background (Co, Ni, As, K maps). The arsenic (As) map also revealed areas of high-intensity in Isaac's sleeve and Rebecca's dress where it could be established that it was not related with the pigment smalt that also contains arsenic. This pointed to the presence of a yellow or orange arsenic-containing pigment, such as realgar or orpiment that is not associated with the artist's palette. Subsequent examination of existing paint cross-sections from these locations taken by Karin Groen in the 1990s identified isolated, almost perfectly round particles of arsenic sulfide. The round shape corresponds with published findings on a purified form of artificial orpiment glass obtained by dry processing, a sublimation reaction. In bright field, the particles characteristically exhibit a dark cross in the middle caused by internal light reflections. The results of additional non-invasive techniques (portable XRD and portable Raman) are discussed, as well as the implications of this finding and how it fits with Rembrandt's late experimental painting technique. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000404916400001 | Publication Date | 2017-06-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2050-7445 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | ; This research is part of the Science4Arts Program, funded by the Netherlands Organization for Scientific Research (NWO) (Grant No. SFA-11-12). GVdS is supported by the Baillet Latour Fund. The authors would like to thank Lisette Vos, Rijksmuseum Amsterdam, for assisting with the MA-XRF scanning; Arisa Izumi and Airi Hirayama, students of the Tokyo University of Science, and Frederik Vanmeert, University of Antwerp, for assisting with the pXRD and pRaman measurements. We are also grateful to Rob Erdmann, Rijksmuseum Amsterdam, who made the curtain viewer to facilitate comparison of the visible image with the elemental distribution maps of the painting. ; | Approved | Most recent IF: NA | ||
Call Number | UA @ admin @ c:irua:144864 | Serial | 5479 | ||
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Author | Vincze, L.; Kukhlevsky, S.V.; Janssens, K. | ||||
Title | Simulation of poly-capillary lenses for coherent and partially coherent x-rays | Type | P1 Proceeding | ||
Year | 2004 | Publication | Proceedings of the Society of Photo-optical Instrumentation Engineers T2 – Conference on Advances in Computational Methods for X-Ray and Neutron, Optics, AUG 03-05, 2004, Denver, CO | Abbreviated Journal | |
Volume | Issue | Pages | 81-85 | ||
Keywords | P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
Abstract | The intensity distributions of the coherent and partially coherent x-rays passed through a poly-capillary lens have been computed at the focal plane. The computations showed that at the appropriate experimental conditions the interference phenomenon does affect the intensity distribution. In the case of the coherent input radiation with the photon energy of 0.1 keV, the interference fringes were observed, while the non-coherent x-ray radiation produced no interference-like intensity distributions. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000225564800008 | Publication Date | 2004-11-05 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | 5536 | Series Issue | Edition | ||
ISSN | 0-8194-5474-5 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | Times cited | 6 | Open Access | ||
Notes | Approved | Most recent IF: NA | |||
Call Number | UA @ admin @ c:irua:103753 | Serial | 5832 | ||
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Author | Das, P.P.; Guzzinati, G.; Coll, C.; Gomez Perez, A.; Nicolopoulos, S.; Estrade, S.; Peiro, F.; Verbeeck, J.; Zompra, A.A.; Galanis, A.S. | ||||
Title | Reliable Characterization of Organic & Pharmaceutical Compounds with High Resolution Monochromated EEL Spectroscopy | Type | A1 Journal article | ||
Year | 2020 | Publication | Polymers | Abbreviated Journal | Polymers-Basel |
Volume | 12 | Issue | 7 | Pages | 1434 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Organic and biological compounds (especially those related to the pharmaceutical industry) have always been of great interest for researchers due to their importance for the development of new drugs to diagnose, cure, treat or prevent disease. As many new API (active pharmaceutical ingredients) and their polymorphs are in nanocrystalline or in amorphous form blended with amorphous polymeric matrix (known as amorphous solid dispersion—ASD), their structural identification and characterization at nm scale with conventional X-Ray/Raman/IR techniques becomes difficult. During any API synthesis/production or in the formulated drug product, impurities must be identified and characterized. Electron energy loss spectroscopy (EELS) at high energy resolution by transmission electron microscope (TEM) is expected to be a promising technique to screen and identify the different (organic) compounds used in a typical pharmaceutical or biological system and to detect any impurities present, if any, during the synthesis or formulation process. In this work, we propose the use of monochromated TEM-EELS, to analyze selected peptides and organic compounds and their polymorphs. In order to validate EELS for fingerprinting (in low loss/optical region) and by further correlation with advanced DFT, simulations were utilized. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000556786700001 | Publication Date | 2020-06-27 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 2073-4360 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 3.364 | Times cited | 6 | Open Access | OpenAccess |
Notes | C.C., F.P., S.E. acknowledges the Spanish government for projects MAT2016-79455-P, Research Network RED2018-102609-T and the FPI (BES-2017-080045) grant of Ministerio de Ciència, Innovación y Universidades. G.G. acknowledges support from a postdoctoral fellowship grant from the Fonds Wetenschappelijk Onderzoek—Vlaanderen (FWO). P.P.D., A.G.P., S.N. gratefully acknowledge much helpful discussion on EELS study for organic compounds with Dr. Andrey Chuvilin (CIC NANOGUNE, Donostia—San Sebastian, Spain). The authors also acknowledge Raúl Arenal (University de Zaragoza, Spain) for useful discussion on EELS. The authors acknowledge also Ulises Julio Amador Elizondo (Universidad CEU San Pablo, Spain) for kindly provide the aripiprazole and piroxicam samples for EELS study.; EUSMI_TA; | Approved | Most recent IF: NA | ||
Call Number | EMAT @ emat @c:irua:170603 | Serial | 6400 | ||
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Author | Malo, S.; Lepoittevin, C.; Pérez, O.; Hébert, S.; Van Tendeloo, G.; Hervieu, M. | ||||
Title | Incommensurate crystallographic shear structures and magnetic properties of the cation deficient perovskite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29 | Type | A1 Journal article | ||
Year | 2010 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 22 | Issue | 5 | Pages | 1788-1797 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The origin of the incommensurability in the crystallographic shear (CS) structure of the ferri-Manganite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, related to the cation deficient perovskite, has been determined by careful analysis of the boundaries between the two variants constituting the phasoid. High Resolution Electron Microscopy/HAADF-STEM images allow the structural mechanisms to be understood through the presence of structural units common to both phases, responsible of the incommensurate character observed in the electron diffraction patterns. The structural analysis allows for identifying different types of CS phases in the Pb−Sr−Fe(Mn)−O diagram and shows that the stabilization of the six-sided tunnels requires a higher A/B cationic ratio. A description of these phases is proposed through simple structural building units (SBU), based on chains of octahedra bordered by two pyramids. The (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29 CS compound exhibits a strong antiferromagnetic and insulating behavior, similar to the Fe-2201 and terrace ferrites but differs by the presence of a hysteresis, with a small coercive field. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000274929000025 | Publication Date | 2010-01-19 | |
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 | 6 | Open Access | |
Notes | Esteem 026019 | Approved | Most recent IF: 9.466; 2010 IF: 6.400 | ||
Call Number | UA @ lucian @ c:irua:81800 | Serial | 1593 | ||
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Author | Créon, N.; Pérez, O.; Hadermann, J.; Klein, Y.; Hébert, S.; Hervieu, M.; Raveau, B. | ||||
Title | Double modulation and microstructure of the thermoelectric misfit compound \left[Ca2-yLnyCu0.7+yCo1.3-yO4\right]\left[CoO2\right]b_{1/b2} (Ln = Pr, Y and 0\leq y\leq1/3) | Type | A1 Journal article | ||
Year | 2006 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 18 | Issue | 22 | Pages | 5355-5362 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | |||||
Address | |||||
Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000241492900033 | Publication Date | 2006-10-10 | |
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 | 6 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 2006 IF: 5.104 | |||
Call Number | UA @ lucian @ c:irua:61846 | Serial | 755 | ||
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Author | Luhrs, C.C.; Molins, E.; Van Tendeloo, G.; Beltran-Porter, D.; Fuertes, A. | ||||
Title | Crystal structure of Bi6Sr8-xCa3+xO22(-0.5\leq x\leq1.7): a mixed valence bismuth oxide related to perovskite | Type | A1 Journal article | ||
Year | 1998 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 10 | Issue | 7 | Pages | 1875-1881 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The crystal structure of BiSr8-xCa3+xO22 has been determined by single-crystal X-ray diffraction. This phase is the same as Bi9Sr11Ca5Oy that was previously studied by several authors as a secondary phase in the Bi-Sr-Ca-Cu-O system and coexists in thermodynamic equilibrium with the superconductors Bi2Sr2CuO6 and Bi2Sr2CaCu2O8 It crystallizes in the monoclinic space group P2(1)/c, with cell parameters a 11.037(3) Angstrom, b = 5.971(2) Angstrom, c = 19.703(7) Angstrom, beta = 101.46(3)degrees Z = 2. The structure was solved by direct methods and full-matrix least-squares refinement. It is built up by perovskite-related blocks of composition [Sr8-xBi2Ca3+xO16] that intergrow with double rows [Bi4O6] running along b. The perovskite blocks are formed by groups of five octahedra that are shifted from each other 3/2 root 2a(p) along [110](p) (a(p) being the parameter of the cubic perovskite subcell) in a zigzag configuration and are aligned with this direction parallel to the one forming an angle of 25" with the c axis. In turn, the perovskite blocks [Sr8-xBi2Ca3+xO16] are shifted from each other 1/2 of both a(p) and root 2a(p) along [100](p) and [110](p), respectively. In the double rows, two trivalent bismuth atoms are placed, forming dimeric anion complexes [Bi2O6].(6-).6- The oxygen atoms around bismuth in these dimers are placed in the vertexes of a distorted trigonal bipyramid, with one vacant position that would be occupied by the lone pairs characteristic for the electronic configuration of Bi(III). The B sites in the perovskite blocks are occupied by pentavalent bismuth atoms and calcium atoms; the remaining Sr and Ca ions occupy the A sites of the perovskite blocks with coordination numbers with oxygen ranging from 10 to 12. The mean valence for Bi is +3.67 [33.3% of Bi(V) and 66.7% of Bi(III)]. The oxygen vacancies are located in the boundaries between domains having the two possible configurations of the perovskite subcell as in the anionic superconductor Bi3BaO5.5. The oxidation of Bi6Sr8-xCa3+xO22 at 650 degrees C allows the complete filling of the oxygen vacancies to form the double perovskite (Sr2-xCax)Bi1.4Ca0.6O6 that shows 92.5% of bismuth in +5 oxidation state. The experimental high-resolution electon microscopy image and the electron diffraction pattern of powder samples along the [010]* zone axis are in good agreement with those calculated from the structural model obtained by single-crystal X-ray diffraction. The material is almost free of defects and the occurrence of planar defects is very exceptional. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Washington, D.C. | Editor | ||
Language | Wos | 000075019300023 | Publication Date | 2002-07-26 | |
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 | 6 | Open Access | |
Notes | Approved | Most recent IF: 9.466; 1998 IF: 3.359 | |||
Call Number | UA @ lucian @ c:irua:104328 | Serial | 570 | ||
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Author | Pearce, P.E.; Rousse, G.; Karakulina, O.M.; Hadermann, J.; Van Tendeloo, G.; Foix, D.; Fauth, F.; Abakumov, A.M.; Tarascon, J.-M. | ||||
Title | β-Na1.7IrO3: A Tridimensional Na-Ion Insertion Material with a Redox Active Oxygen Network | Type | A1 Journal article | ||
Year | 2018 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 30 | Issue | 10 | Pages | 3285-3293 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | The revival of the Na-ion battery concept has prompted an intense search for new high capacity Na-based positive electrodes. Recently, emphasis has been placed on manipulating Na-based layered compounds to trigger the participation of the anionic network. We further explored this direction and show the feasibility of achieving anionic-redox activity in three-dimensional Na-based compounds. A new 3D β-Na1.7IrO3 phase was synthesized in a two-step process, which involves first the electrochemical removal of Li from β-Li2IrO3 to produce β-IrO3, which is subsequently reduced by electrochemical Na insertion. We show that β-Na1.7IrO3 can reversibly uptake nearly 1.3 Na+ per formula unit through an uneven voltage profile characterized by the presence of four plateaus related to structural transitions. Surprisingly, the β-Na1.7IrO3 phase was found to be stable up to 600 °C, while it could not be directly synthesized via conventional synthetic methods. Although these Na-based iridate phases are of limited practical interest, they help to understand how introducing highly polarizable guest ions (Na+) into host rocksalt-derived oxide structures affects the anionic redox mechanism. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000433403800014 | Publication Date | 2018-05-22 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 6 | Open Access | OpenAccess |
Notes | The authors thank A. Perez for fruitful discussions and his valuable help in synchrotron XRD experiment and Matthieu Courty for carrying out the DSC measurements. The authors also greatly thank Matthieu Saubanère and Marie-Liesse Doublet for valuable discussions on theoretical aspects of this work. This work is based on experiments performed on the Materials Science and Powder Diffraction Beamline at ALBA synchrotron (Proposal 2016091814), Cerdanyola del Vallès, E- 08290 Barcelona, Spain. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116-ARPEMA. G.R. acknowledges funding from ANR DeliRedox. O.M.K., J.H., and A.M.A. are grateful to FWO Vlaanderen for financial support under Grant G040116N. | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:152048 | Serial | 4996 | ||
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Author | Tan, X.; Stephens, P.W.; Hendrickx, M.; Hadermann, J.; Segre, C.U.; Croft, M.; Kang, C.-J.; Deng, Z.; Lapidus, S.H.; Kim, S.W.; Jin, C.; Kotliar, G.; Greenblatt, M. | ||||
Title | Tetragonal Cs1.17In0.81Cl3 : a charge-ordered indium halide perovskite derivative | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 31 | Issue | 6 | Pages | 1981-1989 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Polycrystalline samples of Cs1.17In0.81Cl3 were prepared by annealing a mixture of CsCl, InCl, and InCl3, stoichiometric for the targeted CsInCl3. Synchrotron powder X-ray diffraction refinement and chemical analysis by energy dispersive X-ray indicated that Cs1.17In0.81Cl3, a tetragonal distorted perovskite derivative (I4/m), is the thermodynamically stable product. The refined unit cell parameters and space group were confirmed by electron diffraction. In the tetragonal structure, In+ and In3+ are located in four different crystallographic sites, consistent with their corresponding bond lengths. In1, In2, and In3 are octahedrally coordinated, whereas In4 is at the center of a pentagonal bipyramid of Cl because of the noncooperative octahedral tilting of In4Cl6. The charged-ordered In+ and In3+ were also confirmed by X-ray absorption and Raman spectroscopy. Cs1.17In0.81Cl3 is the first example of an inorganic halide double perovskite derivative with charged-ordered In+ and In3+. Band structure and optical conductivity calculations were carried out with both generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) approach; the GGA calculations estimated the band gap and optical band gap to be 2.27 eV and 2.4 eV, respectively. The large and indirect band gap suggests that Cs1.17In0.81Cl3 is not a good candidate for photovoltaic application. | ||||
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000462950400017 | Publication Date | 2019-02-19 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 6 | Open Access | OpenAccess |
Notes | ; M.G. and X.T. were supported by the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant No. DE-FOA-0001276. M.G. also acknowledges support of NSF-DMR-1507252 grant. G.K. and C.-J.K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. The use of the Advanced Photon Source at the Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The works at IOPCAS were supported by NSF & MOST of China through research projects. ; | Approved | Most recent IF: 9.466 | ||
Call Number | UA @ admin @ c:irua:159413 | Serial | 5262 | ||
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Author | Choudhary, K.; Bercx, M.; Jiang, J.; Pachter, R.; Lamoen, D.; Tavazza, F. | ||||
Title | Accelerated Discovery of Efficient Solar Cell Materials Using Quantum and Machine-Learning Methods | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 31 | Issue | 15 | Pages | 5900-5908 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
Abstract | Solar energy plays an important role in solving serious environmental problems and meeting the high energy demand. However, the lack of suitable materials hinders further progress of this technology. Here, we present the largest inorganic solar cell material search till date using density functional theory (DFT) and machine-learning approaches. We calculated the spectroscopic limited maximum efficiency (SLME) using the Tran−Blaha-modified Becke−Johnson potential for 5097 nonmetallic materials and identified 1997 candidates with an SLME higher than 10%, including 934 candidates with a suitable convex-hull stability and an effective carrier mass. Screening for two-dimensional-layered cases, we found 58 potential materials and performed G0W0 calculations on a subset to estimate the prediction uncertainty. As the above DFT methods are still computationally expensive, we developed a high accuracy machine-learning model to prescreen efficient materials and applied it to over a million materials. Our results provide a general framework and universal strategy for the design of high-efficiency solar cell materials. The data and tools are publicly distributed at: https://www.ctcms.nist.gov/~knc6/JVASP.html, https://www. ctcms.nist.gov/jarvisml/, https://jarvis.nist.gov/, and https://github.com/usnistgov/jarvis. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000480826900060 | Publication Date | 2019-08-13 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 6 | Open Access | |
Notes | ; ; | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:161814 | Serial | 5291 | ||
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Author | Ramachandran, R.K.; Filez, M.; Solano, E.; Poelman, H.; Minjauw, M.M.; Van Daele, M.; Feng, J.-Y.; La Porta, A.; Altantzis, T.; Fonda, E.; Coati, A.; Garreau, Y.; Bals, S.; Marin, G.B.; Detavernier, C.; Dendooven, J. | ||||
Title | Chemical and Structural Configuration of Pt Doped Metal Oxide Thin Films Prepared by Atomic Layer Deposition | Type | A1 Journal article | ||
Year | 2019 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
Volume | 31 | Issue | 31 | Pages | 9673-9683 |
Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
Abstract | Pt doped semiconducting metal oxides and Pt metal clusters embedded in an oxide matrix are of interest for applications such as catalysis and gas sensing, energy storage and memory devices. Accurate tuning of the dopant level is crucial for adjusting the properties of these materials. Here, a novel atomic layer deposition (ALD) based method for doping Pt into In2O3 in specific, and metals in metal oxides in general, is demonstrated. This approach combines alternating exposures of Pt and In2O3 ALD processes in a single ‘supercycle’, followed by supercycle repetition leading to multilayered nanocomposites. The atomic level control of ALD and its conformal nature make the method suitable for accurate dopant control even on high surface area supports. Oxidation state, local structural environment and crystalline phase of the embedded Pt dopants were obtained by means of X-ray characterization methods and high angle annular dark-field scanning transmission electron microscopy (HAADF-STEM). In addition, this approach allows characterization of the nucleation stages of metal ALD processes, by stacking those states multiple times in an oxide matrix. Regardless of experimental conditions, a few Pt ALD cycles leads to the formation of oxidized Pt species due to their highly dispersed nature, as proven by X-ray absorption spectroscopy (XAS). Grazing-incidence small-angle X-ray scattering (GISAXS) and highresolution scanning transmission electron microscopy, combined with energy dispersive X-ray spectroscopy (HR-STEM/EDXS) show that Pt is evenly distributed in the In2O3 metal oxide matrix without the formation of clusters. For a larger number of Pt ALD cycles, typ. > 10, the oxidation state gradually evolves towards fully metallic, and metallic Pt clusters are obtained within the In2O3 metal oxide matrix. This work reveals how tuning of the ALD supercycle approach for Pt doping allows controlled engineering of the Pt compositional and structural configuration within a metal oxide matrix. |
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Corporate Author | Thesis | ||||
Publisher | Place of Publication | Editor | |||
Language | Wos | 000502418000010 | Publication Date | 2019-11-11 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0897-4756 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 9.466 | Times cited | 6 | Open Access | OpenAccess |
Notes | This research was supported by the Flemish Research Foundation (FWO-Vlaanderen), the Flemish Government (Long term structural funding – Methusalem funding and Medium scale research infrastructure funding-Hercules funding), the Special Research Fund BOF of Ghent University (GOA 01G01513) and the CALIPSO Trans National Access Program funded by the European Commission in supplying financing of travel costs. We are grateful to the SIXS and SAMBA-SOLEIL staff for smoothly running the beamline facilities. J.D. and R.K.R. are postdoctoral fellows of the FWO. | Approved | Most recent IF: 9.466 | ||
Call Number | EMAT @ emat @c:irua:164056 | Serial | 5380 | ||
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Author | Fatermans, J.; den Dekker, A. J.; Müller-Caspary, K.; Lobato, I.; O’Leary, C. M.; Nellist, P. D.; Van Aert, S. | ||||
Title | Single Atom Detection from Low Contrast-to-Noise Ratio Electron Microscopy Images | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical review letters | Abbreviated Journal | Phys Rev Lett |
Volume | 121 | Issue | 5 | Pages | 056101 |
Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
Abstract | Single atom detection is of key importance to solving a wide range of scientific and technological problems. The strong interaction of electrons with matter makes transmission electron microscopy one of the most promising techniques. In particular, aberration correction using scanning transmission electron microscopy has made a significant step forward toward detecting single atoms. However, to overcome radiation damage, related to the use of high-energy electrons, the incoming electron dose should be kept low enough. This results in images exhibiting a low signal-to-noise ratio and extremely weak contrast, especially for light-element nanomaterials. To overcome this problem, a combination of physics-based model fitting and the use of a model-order selection method is proposed, enabling one to detect single atoms with high reliability. | ||||
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Language | Wos | 000440143200007 | Publication Date | 2018-07-30 | |
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ISSN | 0031-9007 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.462 | Times cited | 6 | Open Access | OpenAccess |
Notes | The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through Project fundings (No. WO.010.16N, No. G.0368.15N, No. G.0502.18N). The authors are grateful to M. Van Bael and P. Lievens (KU Leuven) and to L. M. Liz-Marzán (CIC biomaGUNE and Ikerbasque) for providing the samples. This project has received funding from the European Research Council (ERC) under the European Unions Horizon 2020 research and innovation programme (Grant Agreement No. 770887). | Approved | Most recent IF: 8.462 | ||
Call Number | EMAT @ emat @c:irua:152819 | Serial | 5004 | ||
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Author | Shi, W.; Callewaert, V.; Barbiellini, B.; Saniz, R.; Butterling, M.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R. W.; Brück, E.; Partoens, B.; Bansil, A.; Eijt, S.W. H. | ||||
Title | Nature of the Positron State in CdSe Quantum Dots | Type | A1 Journal article | ||
Year | 2018 | Publication | Physical review letters | Abbreviated Journal | Phys Rev Lett |
Volume | 121 | Issue | 5 | Pages | 057401 |
Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
Abstract | Previous studies have shown that positron-annihilation spectroscopy is a highly sensitive probe of the electronic structure and surface composition of ligand-capped semiconductor quantum dots (QDs) embedded in thin films. The nature of the associated positron state, however, whether the positron is confined inside the QDs or localized at their surfaces, has so far remained unresolved. Our positron-annihilation lifetime spectroscopy studies of CdSe QDs reveal the presence of a strong lifetime component in the narrow range of 358–371 ps, indicating abundant trapping and annihilation of positrons at the surfaces of the QDs. Furthermore, our ab initio calculations of the positron wave function and lifetime employing a recent formulation of the weighted density approximation demonstrate the presence of a positron surface state and predict positron lifetimes close to experimental values. Our study thus resolves the long-standing question regarding the nature of the positron state in semiconductor QDs and opens the way to extract quantitative information on surface composition and ligand-surface interactions of colloidal semiconductor QDs through highly sensitive positron-annihilation techniques. | ||||
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Publisher | Place of Publication | Editor | |||
Language | Wos | 000440635300012 | Publication Date | 2018-08-02 | |
Series Editor | Series Title | Abbreviated Series Title | |||
Series Volume | Series Issue | Edition | |||
ISSN | 0031-9007 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
Impact Factor | 8.462 | Times cited | 6 | Open Access | |
Notes | The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W. S. We acknowledge financial support for this research from ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands. The PALS study is based upon experiments performed at the PLEPS instrument of the NEPOMUC facility at the Heinz Maier-Leibnitz Zentrum (MLZ), Garching, Germany, and was supported by the European Commission under the 7th Framework Program, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at the University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. V. C. and R. S. were supported by the FWO-Vlaanderen through Project No. G. 0224.14N. Computational resources and services used in this work were in part provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government (EWI Department). The work at Northeastern University was supported by the U.S. Department of Energy (DOE), Office of Science, Basic Energy Sciences Grant No. DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the National Energy Research Scientific Computing Center (NERSC) through DOE Grant No. DE-AC02-05CH11231, and support (functionals for modeling positron spectros- copies of layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. | Approved | Most recent IF: 8.462 | ||
Call Number | CMT @ cmt @c:irua:152999UA @ admin @ c:irua:152999 | Serial | 5009 | ||
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