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| Author | Verlackt, C.C.W.; Neyts, E.C.; Bogaerts, A. | ||||
| Title | Atomic scale behavior of oxygen-based radicals in water | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of physics: D: applied physics | Abbreviated Journal | J Phys D Appl Phys |
| Volume | 50 | Issue | 50 | Pages | 11LT01 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Cold atmospheric pressure plasmas in and in contact with liquids represent a growing field of research for various applications. Understanding the interactions between the plasma generated species and the liquid is crucial. In this work we perform molecular dynamics (MD) simulations based on a quantum mechanical method, i.e. density-functional based tight-binding (DFTB), to examine the interactions of OH radicals and O atoms in bulk water. Our calculations reveal that the transport of OH radicals through water is not only governed by diffusion, but also by an equilibrium reaction of H-abstraction with water molecules. Furthermore, when two OH radicals encounter each other, they either form a stable cluster, or react, resulting in the formation of a new water molecule and an O atom. In addition, the O atoms form either oxywater (when in singlet configuration) or they remain stable in solution (when in triplet configuration), stressing the important role that O atoms can play in aqueous solution, and in contact with biomolecules. Our observations are in line with both experimental and ab initio results from the literature. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000415252400001 | Publication Date | 2017-02-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3727 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.588 | Times cited | 11 | Open Access | OpenAccess |
| Notes | The authors thank Peter Bruggeman (University of Minnesota, USA) and Jan Benedikt (Ruhr-Universität Bochum, Germany) for the interesting discussions regarding the existence of O in aqueous solutions. Furthermore, they acknowledge financial support from the Fund for Scientific Research (FWO) Flanders (project number G012413N). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the Universiteit Antwerpen. | Approved | Most recent IF: 2.588 | ||
| Call Number | PLASMANT @ plasmant @ c:irua:140845 | Serial  |
4420 | ||
| Permanent link to this record | |||||
| Author | Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. | ||||
| Title | Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 19 | Issue | 19 | Pages | 1945-1952 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We investigate the role of transition metal atoms of group V-b (V, Nb, Ta) and VI-b (Cr, Mo, W) as n- or p-type dopants in anatase TiO$2$ using thermodynamic principles and density functional theory with the Heyd-Scuseria-Ernzerhof HSE06 hybrid functional. The HSE06 functional provides a realistic value for the band gap, which ensures a correct classification of dopants as shallow or deep donors or acceptors. Defect formation energies and thermodynamic transition levels are calculated taking into account the constraints imposed by the stability of TiO$2$ and the solubility limit of the impurities. Nb, Ta, W and Mo are identified as shallow donors. Although W provides two electrons, Nb and Ta show a considerable lower formation energy, in particular under O-poor conditions. Mo donates in principle one electron, but under specific conditions can turn into a double donor. V impurities are deep donors and Cr shows up as an amphoteric defect, thereby acting as an electron trapping center in n-type TiO$_2$ especially under O-rich conditions. A comparison with the available experimental data yields excellent agreement. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000394426400027 | Publication Date | 2016-12-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.123 | Times cited | 19 | Open Access | OpenAccess |
| Notes | We gratefully acknowledge financial support from the IWTVlaanderenthrough projects G.0191.08 and G.0150.13, and the BOF-NOI of the University of Antwerp. This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, which is funded by the Hercules foundation. M. M. acknowledges financial support from the GOA project ‘‘XANES meets ELNES’’ of the University of Antwerp. | Approved | Most recent IF: 4.123 | ||
| Call Number | EMAT @ emat @ c:irua:140835 | Serial |
4421 | ||
| Permanent link to this record | |||||
| Author | Conings, B.; Bretschneider, S.A.; Babayigit, A.; Gauquelin, N.; Cardinaletti, I.; Manca, J.V.; Verbeeck, J.; Snaith, H.J.; Boyen, H.-G. | ||||
| Title | Structure-property relations of methylamine vapor treated hybrid perovskite CH3NH3PbI3 films and solar cells | Type | A1 Journal article | ||
| Year | 2017 | Publication | ACS applied materials and interfaces | Abbreviated Journal | Acs Appl Mater Inter |
| Volume | 9 | Issue | 9 | Pages | 8092-8099 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The power conversion efficiency of halide perovskite solar cells is heavily dependent on the perovskite layer being sufficiently smooth and pinhole-free. It has been shown that these features can be obtained even when starting out from rough and discontinuous perovskite film, by briefly exposing it to methylamine (MA) vapor. The exact underlying physical mechanisms of this phenomenon are, however, still unclear. By investigating smooth, MA treated films, based on very rough and discontinuous reference films of methylammonium triiode (MAPbI3), considering their morphology, crystalline features, local conductive properties, and charge carrier lifetime, we unravel the relation between their characteristic physical qualities and their performance in corresponding solar cells. We discover that the extensive improvement in photovoltaic performance upon MA treatment is a consequence of the induced morphological enhancement of the perovskite layer, together with improved electron injection into TiO2, which in fact compensates for an otherwise compromised bulk electronic quality, simultaneously caused by the MA treatment. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000396186000025 | Publication Date | 2017-02-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1944-8244 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.504 | Times cited | 43 | Open Access | OpenAccess |
| Notes | This work was financially supported by BOF (Hasselt University) and the Research Fund Flanders (FWO). B.C. is a postdoctoral research fellow of the FWO. A.B. is financially supported by FWO and Imec. J.V. and N.G. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp and FWO project G.0044.13N “Charge ordering”. The Qu-Ant-EM microscope used for this study was partly funded by the Hercules fund from the Flemish Government. The authors thank Tim Vangerven for Urbach energy determination, and Johnny Baccus and Jan Mertens for technical support. | Approved | Most recent IF: 7.504 | ||
| Call Number | EMAT @ emat @ c:irua:140849 | Serial |
4422 | ||
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| Author | Jany, B.R.; Gauquelin, N.; Willhammar, T.; Nikiel, M.; van den Bos, K.H.W.; Janas, A.; Szajna, K.; Verbeeck, J.; Van Aert, S.; Van Tendeloo, G.; Krok, F. | ||||
| Title | Controlled growth of hexagonal gold nanostructures during thermally induced self-assembling on Ge(001) surface | Type | A1 Journal article | ||
| Year | 2017 | Publication | Scientific reports | Abbreviated Journal | Sci Rep-Uk |
| Volume | 7 | Issue | 7 | Pages | 42420 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nano-sized gold has become an important material in various fields of science and technology, where control over the size and crystallography is desired to tailor the functionality. Gold crystallizes in the face-centered cubic (fcc) phase, and its hexagonal closed packed (hcp) structure is a very unusual and rare phase. Stable Au hcp phase has been reported to form in nanoparticles at the tips of some Ge nanowires. It has also recently been synthesized in the form of thin graphene-supported sheets which are unstable under electron beam irradiation. Here, we show that stable hcp Au 3D nanostructures with well-defined crystallographic orientation and size can be systematically created in a process of thermally induced self-assembly of thin Au layer on Ge(001) monocrystal. The Au hcp crystallite is present in each Au nanostructure and has been characterized by different electron microscopy techniques. We report that a careful heat treatment above the eutectic melting temperature and a controlled cooling is required to form the hcp phase of Au on a Ge single crystal. This new method gives scientific prospects to obtain stable Au hcp phase for future applications in a rather simple manner as well as redefine the phase diagram of Gold with Germanium. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000393940700001 | Publication Date | 2017-02-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.259 | Times cited | 25 | Open Access | OpenAccess |
| Notes | The authors gratefully acknowledge the financial support from the Polish National Science Center, grant no. DEC-2012/07/B/ST5/00906. N.G., G.V.T. and J.V. acknowledge the European Union (EU) Council under the 7th Framework Program (FP7) ERC Starting Grant 278510 VORTEX for support. The Research Foundation Flanders is acknowledged through project fundings (G.0374.13N, G.0368.15N, G.0369.15N) and for a Ph.D. research grant to K.H.W.v.d.B. The microscope was partly funded by the Hercules Fund from the Flemish Government. T.W. acknowledges the Swedish Research Council for an international postdoc grant. The research leading to these results has received funding from the European Union Seventh Framework Programme under Grant Agreement 312483–ESTEEM2 (Integrated Infrastructure Initiative–I3). Part of the research was carried out with equipment purchased with financial support from the European Regional Development Fund in the framework of the Polish Innovation Economy Operational Program (Contract No. POIG.02.01.00-12-023/08). | Approved | Most recent IF: 4.259 | ||
| Call Number | EMAT @ emat @ c:irua:140846UA @ admin @ c:irua:140846 | Serial |
4423 | ||
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| Author | Mikhailova, D.; Karakulina, O.M.; Batuk, D.; Hadermann, J.; Abakumov, A.M.; Herklotz, M.; Tsirlin, A.A.; Oswald, S.; Giebeler, L.; Schmidt, M.; Eckert, J.; Knapp, M.; Ehrenberg, H. | ||||
| Title | Layered-to-Tunnel Structure Transformation and Oxygen Redox Chemistry in LiRhO2upon Li Extraction and Insertion | Type | A1 Journal article | ||
| Year | 2016 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
| Volume | 55 | Issue | 55 | Pages | 7079-7089 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Layered Li(M,Li)O2 (where M is a transition metal) ordered rock-salt-type structures are used in advanced metal-ion batteries as one of the best hosts for the reversible intercalation of Li ions. Besides the conventional redox reaction involving oxidation/reduction of the M cation upon Li extraction/insertion, creating oxygen-located holes because of the partial oxygen oxidation increases capacity while maintaining the oxidized oxygen species in the lattice through high covalency of the M–O bonding. Typical degradation mechanism of the Li(M,Li)O2 electrodes involves partially irreversible M cation migration toward the Li positions, resulting in gradual capacity/voltage fade. Here, using LiRhO2 as a model system (isostructural and isoelectronic to LiCoO2), for the first time, we demonstrate an intimate coupling between the oxygen redox and M cation migration. A formation of the oxidized oxygen species upon electrochemical Li extraction coincides with transformation of the layered Li1–xRhO2 structure into the γ-MnO2-type rutile–ramsdellite intergrowth LiyRh3O6 structure with rutile-like [1 × 1] channels along with bigger ramsdellite-like [2 × 1] tunnels through massive and concerted Rh migration toward the empty positions in the Li layers. The oxidized oxygen dimers with the O–O distances as short as 2.26 Å are stabilized in this structure via the local Rh–O configuration reminiscent to that in the μ-peroxo-μ-hydroxo Rh complexes. The LiyRh3O6 structure is remarkably stable upon electrochemical cycling illustrating that proper structural implementation of the oxidized oxygen species can open a pathway toward deliberate employment of the anion redox chemistry in high-capacity/high-voltage positive electrodes for metal-ion batteries. Upon chemical or electrochemical oxidation, layered LiRhO2 shows a unique structural transformation that involves both cation migration and oxidation of oxygen resulting in a stable tunnel-like rutile−ramsdellite intergrowth LiyRh3O6 structure. This structure demonstrates excellent performance with the steady and reversible capacity of ∼200 mAh/g. The stability of LiyRh3O6 is rooted in the accommodation of partially oxidized oxygen species through the formation of short O−O distances that are compatible with the connectivity of RhO6 octahedra. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000380181400035 | Publication Date | 2016-07-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.857 | Times cited | 12 | Open Access | |
| Notes | Bundesministerium fur Bildung und Forschung, 03SF0477B ; Fonds Wetenschappelijk Onderzoek, G040116N ; | Approved | Most recent IF: 4.857 | ||
| Call Number | EMAT @ emat @ c:irua:140848 | Serial |
4424 | ||
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| Author | Callewaert, V.; Saniz, R.; Barbiellini, B.; Partoens, B. | ||||
| Title | Surface states and positron annihilation spectroscopy: results and prospects from a first-principles approach | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of physics : conference series | Abbreviated Journal | |
| Volume | 791 | Issue | 791 | Pages | 012036 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The trapping of positrons at the surface of a material can be exploited to study quite selectively the surface properties of the latter by means of positron annihilation spectroscopy techniques. To support these, it is desirable to be able to theoretically predict the existence of such positronic surface states and to describe their annihilation characteristics with core or valence surface electrons in a reliable way. Here, we build on the well-developed first-principles techniques for the study of positrons in bulk solids as well as on previous models for surfaces, and investigate two schemes that can improve the theoretical description of the interaction of positrons with surfaces. One is based on supplementing the local-density correlation potential with the corrugated image potential at the surface, and the other is based on the weighted-density approximation to correlation. We discuss our results for topological insulators, graphene layers, and quantum dots, with emphasis on the information that can be directly related to experiment. We also discuss some open theoretical problems that should be addressed by future research. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000400610500036 | Publication Date | 2017-02-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1742-6588 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 1 | Open Access | ||
| Notes | We acknowledge financial support from FWO-Vlaanderen (projects G.0150.13 and G.0224.14N). This work was carried out using the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), funded by the Hercules foundation and the Flemish Government (EWI Department). The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University’s Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02- 05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. | Approved | Most recent IF: NA | ||
| Call Number | CMT @ cmt @ c:irua:140847 | Serial |
4425 | ||
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| Author | Eijt, S.W.H.; Shi, W.; Mannheim, A.; Butterling, M.; Schut, H.; Egger, W.; Dickmann, M.; Hugenschmidt, C.; Shakeri, B.; Meulenberg, R.W.; Callewaert, V.; Saniz, R.; Partoens, B.; Barbiellini, B.; Bansil, A.; Melskens, J.; Zeman, M.; Smets, A.H.M.; Kulbak, M.; Hodes, G.; Cahen, D.; Brück, E. | ||||
| Title | New insights into the nanostructure of innovative thin film solar cells gained by positron annihilation spectroscopy | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of physics : conference series | Abbreviated Journal | |
| Volume | 791 | Issue | 791 | Pages | 012021 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Recent studies showed that positron annihilation methods can provide key insights into the nanostructure and electronic structure of thin film solar cells. In this study, positron annihilation lifetime spectroscopy (PALS) is applied to investigate CdSe quantum dot (QD) light absorbing layers, providing evidence of positron trapping at the surfaces of the QDs. This enables one to monitor their surface composition and electronic structure. Further, 2D-Angular Correlation of Annihilation Radiation (2D-ACAR) is used to investigate the nanostructure of divacancies in photovoltaic-high-quality a-Si:H films. The collected momentum distributions were converted by Fourier transformation to the direct space representation of the electron-positron autocorrelation function. The evolution of the size of the divacancies as a function of hydrogen dilution during deposition of a-Si:H thin films was examined. Finally, we present a first positron Doppler Broadening of Annihilation Radiation (DBAR) study of the emerging class of highly efficient thin film solar cells based on perovskites. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000400610500021 | Publication Date | 2017-02-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1742-6588 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 1 | Open Access | ||
| Notes | The work at Delft University of Technology was supported by the China Scholarship Council (CSC) grant of W.S., by ADEM, A green Deal in Energy Materials of the Ministry of Economic Affairs of The Netherlands (www.adem- innovationlab.nl), and the STW Vidi grant of A.S., Grant No. 10782. 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 7 th Framework Programme, Key Action: Strengthening the European Research Area, Research Infrastructures, Contract No. 226507, NMI3. The work at University of Maine was supported by the National Science Foundation under Grant No. DMR-1206940. Research at the University of Antwerp was supported by FWO grants G022414N and G015013. The work at Northeastern University was supported by the US Department of Energy (DOE), Office of Science, Basic Energy Sciences grant number DE-FG02-07ER46352 (core research), and benefited from Northeastern University's Advanced Scientific Computation Center (ASCC), the NERSC supercomputing center through DOE grant number DE-AC02-05CH11231, and support (applications to layered materials) from the DOE EFRC: Center for the Computational Design of Functional Layered Materials (CCDM) under DE-SC0012575. The work at the Weizmann Institute was supported by the Sidney E. Frank Foundation through the Israel Science Foundation, by the Israel Ministry of Science, and the Israel National Nano-Initiative. D.C. holds the Sylvia and Rowland Schaefer Chair in Energy Research. | Approved | Most recent IF: NA | ||
| Call Number | CMT @ cmt @ c:irua:140850 | Serial |
4426 | ||
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| Author | Covaci, L.; Marsiglio, F. | ||||
| Title | Proximity effect and Josephson current in clean strong/weak/strong superconducting trilayers | Type | A1 Journal article | ||
| Year | 2006 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 73 | Issue | 1 | Pages | 014503 |
| Keywords | A1 Journal article | ||||
| Abstract | Recent measurements of the Josephson critical current through LSCO/LCO/LSCO thin films showed an unusually large proximity effect. Using the Bogoliubov-de Gennes equations for a tight-binding Hamiltonian we describe the proximity effect in weak links between a superconductor with critical temperature T-c and one with critical temperature T-c('), where T-c > T-c('). The weak link (N-') is therefore a superconductor above its own critical temperature and the superconducting regions are considered to have either s-wave or d-wave symmetry. We note that the proximity effect is enhanced due to the presence of superconducting correlations in the weak link. The dc Josephson current is calculated, and we obtain a nonzero value for temperatures greater than T-c(') for sizes of the weak links that can be almost an order of magnitude greater than the conventional coherence length. Considering pockets of superconductivity in the N-' layer, we show that this can lead to an even larger effect on the Josephson critical current by effectively shortening the weak link. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000235009000103 | Publication Date | 2006-01-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | ||
| Impact Factor | 3.836 | Times cited | 31 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2006 IF: 3.107 | |||
| Call Number | UA @ lucian @ | Serial |
4427 | ||
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| Author | Kim, W.; Covaci, L.; Marsiglio, F. | ||||
| Title | Impurity scattering of wave packets on a lattice | Type | A1 Journal article | ||
| Year | 2006 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 74 | Issue | 20 | Pages | 205120 |
| Keywords | A1 Journal article | ||||
| Abstract | Quantum transport in a lattice is distinct from its counterpart in continuum media. Even a free wave packet travels differently in a lattice than in the continuum. We describe quantum scattering in a one-dimensional lattice and illustrate characteristics of quantum transport such as resonant transmission. In particular we examine the transport characteristics of a random trimer model. We demonstrate the real-time propagation of a wave packet and its phase shift due to impurity configurations. Spin-flip scattering is also taken into account in a spin-chain system. We show how individual spins in the chain evolve as a result of a spin-flip interaction between an incoming electron and a spin chain. | ||||
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| Language | Wos | 000242409400030 | Publication Date | 2006-11-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | ||
| Impact Factor | 3.836 | Times cited | 14 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2006 IF: 3.107 | |||
| Call Number | UA @ lucian @ | Serial |
4428 | ||
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| Author | Kim, W.; Covaci, L.; Marsiglio, F. | ||||
| Title | Hidden symmetries of electronic transport in a disordered one-dimensional lattice | Type | A1 Journal article | ||
| Year | 2006 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 73 | Issue | 19 | Pages | 195109 |
| Keywords | A1 Journal article | ||||
| Abstract | Correlated, or extended, impurities play an important role in the transport properties of dirty metals. Here, we examine, in the framework of a tight-binding lattice, the transmission of a single electron through an array of correlated impurities. In particular we show that particles transmit through an impurity array in identical fashion, regardless of the direction of traversal. The demonstration of this fact is straightforward in the continuum limit, but requires a detailed proof for the discrete lattice. We also briefly demonstrate and discuss the time evolution of these scattering states, to delineate regions (in time and space) where the aforementioned symmetry is violated. | ||||
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| Language | Wos | 000237950400042 | Publication Date | 2006-05-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | ||
| Impact Factor | 3.836 | Times cited | 5 | Open Access | |
| Notes | Approved | Most recent IF: 3.836; 2006 IF: 3.107 | |||
| Call Number | UA @ lucian @ | Serial |
4429 | ||
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| Author | Kim, W.; Covaci, L.; Dogan, F.; Marsiglio, F. | ||||
| Title | Quantum mechanics of spin transfer in coupled electron-spin chains | Type | A1 Journal article | ||
| Year | 2007 | Publication | Epl | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 79 | Issue | 6 | Pages | 67004 |
| Keywords | A1 Journal article | ||||
| Abstract | The manner in which spin-polarized electrons interact with a magnetized thin film is currently described by a semi-classical approach. This in turn provides our present understanding of the spin transfer, or spin torque phenomenon. However, spin is an intrinsically quantum-mechanical quantity. Here, we make the first strides towards a fully quantum-mechanical description of spin transfer through spin currents interacting with a Heisenberg-coupled spin chain. Because of quantum entanglement, this requires a formalism based on the density matrix approach. Our description illustrates how individual spins in the chain time-evolve as a result of spin transfer. | ||||
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| Language | Wos | 000250409500023 | Publication Date | 2007-08-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075 | ISBN | Additional Links | ||
| Impact Factor | 1.957 | Times cited | 3 | Open Access | |
| Notes | Approved | Most recent IF: 1.957; 2007 IF: 2.206 | |||
| Call Number | UA @ lucian @ | Serial |
4430 | ||
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| Author | Covaci, L.; Berciu, M. | ||||
| Title | Holstein polaron: The effect of coupling to multiple-phonon modes | Type | A1 Journal article | ||
| Year | 2007 | Publication | Epl | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 80 | Issue | 6 | Pages | 67001 |
| Keywords | A1 Journal article | ||||
| Abstract | We investigate the effects of coupling to multiple-phonon modes on the properties of a Holstein polaron. To this end, we generalize the Momentum Average approximations MA((0)) and MA((1)) to deal with multiple-phonon modes. As for a single-phonon mode, these approximations are found to be numerically very efficient. They become exact for very weak or very strong couplings, and are highly accurate in the intermediate regimes, e.g. the spectral weights obey exactly the first six, respectively eight, sum rules. Our results show that the effect on ground-state properties is cumulative in nature. As a result, if the effective coupling to one mode is much larger than to all the others, this mode effectively determines the ground-state properties. However, even very weak coupling to a second phonon mode has important non-perturbational effects on the higher-energy spectrum, in particular on the dispersion and the phonon statistics of the polaron band. This has important consequences on the analysis and interpretation of data for real materials. | ||||
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| Language | Wos | 000251648300016 | Publication Date | 2007-11-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075 | ISBN | Additional Links | ||
| Impact Factor | 1.957 | Times cited | 9 | Open Access | |
| Notes | Approved | Most recent IF: 1.957; 2007 IF: 2.206 | |||
| Call Number | UA @ lucian @ | Serial |
4431 | ||
| Permanent link to this record | |||||
| Author | Marchand, D.; Covaci, L.; Berciu, M.; Franz, M. | ||||
| Title | Giant proximity effect in a phase-fluctuating superconductor | Type | A1 Journal article | ||
| Year | 2008 | Publication | Physical Review Letters | Abbreviated Journal | Phys Rev Lett |
| Volume | 101 | Issue | 9 | Pages | 097004 |
| Keywords | A1 Journal article | ||||
| Abstract | When a tunneling barrier between two superconductors is formed by a normal material that would be a superconductor in the absence of phase fluctuations, the resulting Josephson effect can undergo an enormous enhancement. We establish this novel proximity effect by a general argument as well as a numerical simulation and argue that it may underlie recent experimental observations of the giant proximity effect between two cuprate superconductors separated by a barrier made of the same material rendered normal by severe underdoping. | ||||
| Address | Department of Physics and Astronomy, University of British Columbia, Vancouver, BC, Canada V6T 1Z1 | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000259195800055 | Publication Date | 2008-08-28 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007 | ISBN | Additional Links | ||
| Impact Factor | 8.462 | Times cited | 17 | Open Access | |
| Notes | Approved | Most recent IF: 8.462; 2008 IF: 7.180 | |||
| Call Number | UA @ lucian @ | Serial |
4433 | ||
| Permanent link to this record | |||||
| Author | Covaci, L.; Berciu, M. | ||||
| Title | Polaron formation in the presence of Rashba spin-orbit coupling: implications for spintronics | Type | A1 Journal article | ||
| Year | 2009 | Publication | Physical Review Letters | Abbreviated Journal | Phys Rev Lett |
| Volume | 102 | Issue | 18 | Pages | 186403 |
| Keywords | A1 Journal article | ||||
| Abstract | We study the effects of the Rashba spin-orbit coupling on polaron formation, using a suitable generalization of the momentum average approximation. While previous work on a parabolic band model found that spin-orbit coupling increases the effective mass, we show that the opposite holds for a tight-binding model, unless both the spin-orbit and the electron-phonon couplings are weak. It is thus possible to lower the effective mass of the polaron by increasing the spin-orbit coupling. We also show that when the spin-orbit coupling is large as compared to the phonon energy, the polaron retains only one of the spin-polarized bands in its coherent spectrum. This has major implications for the propagation of spin-polarized currents in such materials, and thus for spintronic applications. | ||||
| Address | Department of Physics, University of British Columbia, Vancouver, British Columbia, Canada, V6T 1Z1 | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000265948600049 | Publication Date | 2009-05-08 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007 | ISBN | Additional Links | ||
| Impact Factor | 8.462 | Times cited | 25 | Open Access | |
| Notes | Approved | Most recent IF: 8.462; 2009 IF: 7.328 | |||
| Call Number | UA @ lucian @ | Serial |
4434 | ||
| Permanent link to this record | |||||
| Author | Goodvin, G.L.; Covaci, L.; Berciu, M. | ||||
| Title | Holstein polarons near surfaces | Type | A1 Journal article | ||
| Year | 2009 | Publication | Physical Review Letters | Abbreviated Journal | Phys Rev Lett |
| Volume | 103 | Issue | 17 | Pages | 176402 |
| Keywords | A1 Journal article | ||||
| Abstract | We study the effects of a nearby surface on the spectral weight of a Holstein polaron, using the inhomogeneous momentum average approximation which is accurate over the entire range of electron-phonon (e-ph) coupling strengths. The broken translational symmetry is taken into account exactly. We find that the e-ph coupling gives rise to a large additional surface potential, with strong retardation effects, which may bind surface states even when they are not normally expected. The surface, therefore, has a significant effect and bulk properties are recovered only very far away from it. These results demonstrate that interpretation in terms of bulk quantities of spectroscopic data sensitive only to a few surface layers is not always appropriate. | ||||
| Address | Department of Physics and Astronomy, University of British Columbia, Vancouver, British Columbia, Canada V6T 1Z1 | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000271164500042 | Publication Date | 2009-10-22 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0031-9007 | ISBN | Additional Links | ||
| Impact Factor | 8.462 | Times cited | 8 | Open Access | |
| Notes | Approved | Most recent IF: 8.462; 2009 IF: 7.328 | |||
| Call Number | UA @ lucian @ | Serial |
4435 | ||
| Permanent link to this record | |||||
| Author | Doğan, F.; Covaci, L.; Kim, W.; Marsiglio, F. | ||||
| Title | Emerging nonequilibrium bound state in spin-current–local-spin scattering | Type | A1 Journal article | ||
| Year | 2009 | Publication | Physical Review B | Abbreviated Journal | Phys Rev B |
| Volume | 80 | Issue | 10 | Pages | 104434 |
| Keywords | A1 Journal article | ||||
| Abstract | Magnetization reversal is a well-studied problem with obvious applicability in computer hard drives. One can accomplish a magnetization reversal in at least one of two ways: application of a magnetic field or through a spin current. The latter is more amenable to a fully quantum-mechanical analysis. We formulate and solve the problem whereby a spin current interacts with a ferromagnetic Heisenberg spin chain, to eventually reverse the magnetization of the chain. Spin flips are accomplished through both elastic and inelastic scattering. A consequence of the inelastic-scattering channel, when it is no longer energetically possible, is the occurrence of a nonequilibrium bound state, which is an emergent property of the coupled local plus itinerant spin system. For certain definite parameter values the itinerant spin lingers near the local spins for some time, before eventually leaking out as an outwardly diffusing state. This phenomenon results in spin-flip dynamics and filtering properties for this type of system. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000270383100077 | Publication Date | 2009-09-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121 | ISBN | Additional Links | ||
| Impact Factor | 3.836 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 3.836; 2009 IF: 3.475 | |||
| Call Number | UA @ lucian @ | Serial |
4436 | ||
| Permanent link to this record | |||||
| Author | Lu, J.; Bartholomeeusen, E.; Sels, B.F.; Schryvers, D. | ||||
| Title | Internal architecture of coffin-shaped ZSM-5 zeolite crystals with hourglass contrast unravelled by focused ion beam-assisted transmission electron microscopy: INTERNAL ARCHITECTURE OF COFFIN-SHAPED | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of microscopy | Abbreviated Journal | J Microsc-Oxford |
| Volume | 265 | Issue | 265 | Pages | 27-33 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Optical microscopy, focused ion beam and transmission electron microscopy are combined to study the internal architecture in a coffin-shaped ZSM-5 crystal showing an hourglass contrast in optical microscopy. Based on parallel lamellas from different positions in the crystal, the orientation relationships between the intergrowth components of the crystal are studied and the internal architecture and growth mechanism are illustrated. The crystal is found to contain two pyramid-like components aside from a central component. Both pyramid-like components are rotated by 90 degrees along the common c-axis and with respect to the central component while the interfaces between the components show local zig-zag feature, the latter indicating variations in relative growth velocity of the two components. The pyramid-like intergrowth components are larger and come closer to one another in the middle of the crystal than at the edges, but they do not connect. A model of multisite nucleation and growth of 90 degrees intergrowth components is proposed. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000392487400004 | Publication Date | 2016-08-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-2720 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.692 | Times cited | 4 | Open Access | OpenAccess |
| Notes | Fonds Wetenschappelijk Onderzoek, G.0603.10N ; | Approved | Most recent IF: 1.692 | ||
| Call Number | EMAT @ emat @ c:irua:141015 | Serial |
4437 | ||
| Permanent link to this record | |||||
| Author | Cui, J.; Faria, M.; Bjornmalm, M.; Ju, Y.; Suma, T.; Gunawan, S.T.; Richardson, J.J.; Heidar, H.; Bals, S.; Crampin, E.J.; Caruso, F. | ||||
| Title | A framework to account for sedimentation and diffusion in particle-cell interactions | Type | A1 Journal article | ||
| Year | 2016 | Publication | Langmuir: the ACS journal of surfaces and colloids | Abbreviated Journal | Langmuir |
| Volume | 32 | Issue | 32 | Pages | 12394-12402 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In vitro experiments provide a solid basis for understanding the interactions between particles and biological systems. An important confounding variable for these studies is the difference between the amount of particles administered and that which reaches the surface of cells. Here, we engineer a hydrogel-based nanoparticle system and combine in situ characterization techniques, 3D-printed cell cultures, and computational modeling to evaluate and study particle cell interactions of advanced particle systems. The framework presented demonstrates how sedimentation and diffusion can explain differences in particle cell association, and provides a means to account for these effects. Finally, using in silico modeling, we predict the proportion of particles that reaches the cell surface using common experimental conditions for a wide range of inorganic and organic micro- and nanoparticles. This work can assist in the understanding and control of sedimentation and diffusion when investigating cellular interactions of engineered particles. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000389117600017 | Publication Date | 2016-07-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0743-7463 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.833 | Times cited | 40 | Open Access | Not_Open_Access |
| Notes | ; This work was supported by the Australian Research Council (ARC) under the Australian Laureate Fellowship scheme (F.C., FL120100030), the Australian Government through an Australian Postgraduate Award (M.B.), and the ARC Centre of Excellence in Convergent Bio-Nano Science and Technology (Project Number CE140100036). This work was performed in part at the Materials Characterization and Fabrication Platform (MCFP) at the University of Melbourne and the Victorian Node of the Australian National Fabrication Facility (ANFF). ; | Approved | Most recent IF: 3.833 | ||
| Call Number | UA @ lucian @ c:irua:139210 | Serial |
4438 | ||
| Permanent link to this record | |||||
| Author | Zanaga, D.; Altantzis, T.; Sanctorum, J.; Freitag, B.; Bals, S. | ||||
| Title | An alternative approach for \zeta-factor measurement using pure element nanoparticles | Type | A1 Journal article | ||
| Year | 2016 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 164 | Issue | Pages | 11-16 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | It is very challenging to measure the chemical composition of hetero nanostructures in a reliable and quantitative manner. Here, we propose a novel and straightforward approach that can be used to quantify energy dispersive X-ray spectra acquired in a transmission electron microscope. Our method is based on a combination of electron tomography and the so-called zeta-factor technique. We will demonstrate the reliability of our approach as well as its applicability by investigating Au-Ag and Au-Pt hetero nanostructures. Given its simplicity, we expect that the method could become a new standard in the field of chemical characterization using electron microscopy. (C) 2016 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000373526200002 | Publication Date | 2016-03-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.843 | Times cited | 19 | Open Access | OpenAccess |
| Notes | ; The authors acknowledge financial support from the European Research Council (ERC Starting Grant # 335078-COLOURATOMS) and the European Union under the FP7 (Integrated Infrastructure Initiative N. 312483 – ESTEEM2). ; ecas_Sara | Approved | Most recent IF: 2.843 | ||
| Call Number | UA @ lucian @ c:irua:133259 | Serial |
4439 | ||
| Permanent link to this record | |||||
| Author | Li, M.-R.; Deng, Z.; Lapidus, S.H.; Stephens, P.W.; Segre, C.U.; Croft, M.; Sena, R.P.; Hadermann, J.; Walker, D.; Greenblatt, M. | ||||
| Title | Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9: in Search of Jahn-Teller Distorted Cr(II) Oxide | Type | A1 Journal article | ||
| Year | 2016 | Publication | Inorganic chemistry | Abbreviated Journal | Inorg Chem |
| Volume | 55 | Issue | 55 | Pages | 10135-10142 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A novel 6H-type hexagonal perovskite Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 was prepared at high pressure (6 GPa) and temperature (1773 K). Both transmission electron microscopy and synchrotron powder X-ray diffraction data demonstrate that Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 crystallizes in P6(3)/mmc with face-shared (Cr0.97(1)Te0.03(1))O-6 octahedral pairs interconnected with TeO6 octahedra via corner-sharing. Structure analysis shows a mixed Cr2+/Cr3+ valence state with similar to 10% Cr2+. The existence of Cr2+ in Ba-3(Cr0.10(1)2+Cr0.87(1)3+Te0.036+)(2)TeO9 is further evidenced by X-ray absorption near-edge spectroscopy. Magnetic properties measurements show a paramagnetic response down to 4 K and a small glassy-state curvature at low temperature. In this work, the octahedral Cr2+O6 component is stabilized in an oxide material for the first time; the expected Jahn-Teller distortion of high-spin (d(4)) Cr2+ is not found, which is attributed to the small proportion of Cr2+ (similar to 10%) and the face-sharing arrangement of CrO6 octahedral pairs, which structurally disfavor axial distortion. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Easton, Pa | Editor | ||
| Language | Wos | 000385785700026 | Publication Date | 2016-09-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.857 | Times cited | 2 | Open Access | |
| Notes | Approved | Most recent IF: 4.857 | |||
| Call Number | UA @ lucian @ c:irua:140313 | Serial |
4440 | ||
| Permanent link to this record | |||||
| Author | Eleftheriadis, G.K.; Filippousi, M.; Tsachouridou, V.; Darda, M.-A.; Sygellou, L.; Kontopoulou, I.; Bouropoulos, N.; Steriotis, T.; Charalambopoulou, G.; Vizirianakis, I.S.; Van Tendeloo, G.; Fatouros, D.G. | ||||
| Title | Evaluation of mesoporous carbon aerogels as carriers of the non-steroidal anti-inflammatory drug ibuprofen | Type | A1 Journal article | ||
| Year | 2016 | Publication | International journal of pharmaceutics | Abbreviated Journal | Int J Pharmaceut |
| Volume | 515 | Issue | 515 | Pages | 262-270 |
| Keywords | A1 Journal article; Pharmacology. Therapy; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Towards the development of novel drug carriers for oral delivery of poorly soluble drugs mesoporous aerogel carbons (CAs), namely CA10 and CA20 with different pore sizes (10 and 20 nm, respectively), were evaluated. The non-steroidal anti-inflammatory lipophilic compound ibuprofen was incorporated via passive loading. The drug loaded carbon aerogels were systemically investigated by means of High-Resolution Transmission Electron Microscopy (HR-TEM), Nitrogen physisorption studies, X-ray diffraction (XRD), Differential Scanning Calorimetry (DSC), X-ray photon electron spectroscopy (XPS) and zeta-potential studies. In vitro release studies were performed in simulated intestinal fluids reflecting both fasted (FaSSIF) and fed (FeSSIF) state conditions. Cytotoxicity studies were conducted with human intestinal cells (Caco-2). Drug was in an amorphous state in the pores of the carbon carrier as shown from the physicochemical characterization studies. The results showed marked differences in the release profiles for ibuprofen from the two aerogels in the media tested whereas in vitro toxicity profiles appear to be compatible with potential therapeutic applications at low concentrations. (C) 2016 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000389150700024 | Publication Date | 2016-10-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0378-5173 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.649 | Times cited | 7 | Open Access | |
| Notes | Approved | Most recent IF: 3.649 | |||
| Call Number | UA @ lucian @ c:irua:140231 | Serial |
4441 | ||
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| Author | Folens, K.; Leus, K.; Nicomel, N.R.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. | ||||
| Title | Fe3O4@MIL-101-A selective and regenerable adsorbent for the removal of as species from water | Type | A1 Journal article | ||
| Year | 2016 | Publication | European journal of inorganic chemistry | Abbreviated Journal | Eur J Inorg Chem |
| Volume | 2016 | Issue | 2016 | Pages | 4395-4401 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The chromium-based metal organic framework MIL-101(Cr) served as a host for the in situ synthesis of Fe3O4 nano particles. This hybrid nanomaterial was tested as an adsorbent for arsenite and arsenate species in groundwater and surface water and showed excellent affinity towards As-III and As-V species. The adsorption capacities of 121.5 and 80.0 mg g(-1) for arsenite and arsenate species, respectively, are unprecedented. The presence of Ca2+, Mg2+, and phosphate ions and natural organic matter does not affect the removal efficiency or the selectivity. The structural integrity of the hybrid nanomaterial was maintained during the adsorption process and even after desorption through phosphate elution. Additionally, no significant leaching of Cr or Fe species was observed. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000386166900019 | Publication Date | 2016-04-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1434-1948 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.444 | Times cited | 27 | Open Access | |
| Notes | Approved | Most recent IF: 2.444 | |||
| Call Number | UA @ lucian @ c:irua:139220 | Serial |
4442 | ||
| Permanent link to this record | |||||
| Author | Janssens, K.; van der Snickt, G.; Vanmeert, F.; Legrand, S.; Nuyts, G.; Alfeld, M.; Monico, L.; Anaf, W.; de Nolf, W.; Vermeulen, M.; Verbeeck, J.; De Wael, K. | ||||
| Title | Non-invasive and non-destructive examination of artistic pigments, paints, and paintings by means of X-Ray methods | Type | A1 Journal article | ||
| Year | 2016 | Publication | Topics in Current Chemistry | Abbreviated Journal | Topics Curr Chem |
| Volume | 374 | Issue | 374 | Pages | 81 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Recent studies are concisely reviewed, in which X-ray beams of (sub)micrometre to millimetre dimensions have been used for non-destructive analysis and characterization of pigments, minute paint samples, and/or entire paintings from the seventeenth to the early twentieth century painters. The overview presented encompasses the use of laboratory and synchrotron radiation-based instrumentation and deals with the use of several variants of X-ray fluorescence (XRF) as a method of elemental analysis and imaging, as well as with the combined use of X-ray diffraction (XRD) and X-ray absorption spectroscopy (XAS). Microscopic XRF is a variant of the method that is well suited to visualize the elemental distribution of key elements, mostly metals, present in paint multi-layers, on the length scale from 1 to 100 μm inside micro-samples taken from paintings. In the context of the characterization of artists pigments subjected to natural degradation, the use of methods limited to elemental analysis or imaging usually is not sufficient to elucidate the chemical transformations that have taken place. However, at synchrotron facilities, combinations of μ-XRF with related methods such as μ-XAS and μ-XRD have proven themselves to be very suitable for such studies. Their use is often combined with microscopic Fourier transform infra-red spectroscopy and/or Raman microscopy since these methods deliver complementary information of high molecular specificity at more or less the same length scale as the X-ray microprobe techniques. Since microscopic investigation of a relatively limited number of minute paint samples, taken from a given work of art, may not yield representative information about the entire artefact, several methods for macroscopic, non-invasive imaging have recently been developed. Those based on XRF scanning and full-field hyperspectral imaging appear very promising; some recent published results are discussed. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Springer international publishing ag | Place of Publication | Cham | Editor | |
| Language | Wos | 000391178900006 | Publication Date | 2016-11-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2365-0869;2364-8961; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.033 | Times cited | 50 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 4.033 | ||
| Call Number | UA @ lucian @ c:irua:139930UA @ admin @ c:irua:139930 | Serial |
4443 | ||
| Permanent link to this record | |||||
| Author | Gonnissen, J. | ||||
| Title | Optimal statistical experiment design for detecting and locating light atoms using quantitative high resolution (scanning) transmission electron microscopy | Type | Doctoral thesis | ||
| Year | 2017 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | |||
| Keywords | Doctoral thesis; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Antwerpen | Editor | ||
| Language | Wos | Publication Date | |||
| 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:140612 | Serial |
4444 | ||
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| Author | Verduyckt, J.; Van Hoof, M.; De Schouwer, F.; Wolberg, M.; Kurttepeli, M.; Eloy, P.; Gaigneaux, E.M.; Bals, S.; Kirschhock, C.E.A.; De Vos, D.E. | ||||
| Title | PdPb-catalyzed decarboxylation of proline to pyrrolidine : highly selective formation of a biobased amine in water | Type | A1 Journal article | ||
| Year | 2016 | Publication | ACS catalysis | Abbreviated Journal | Acs Catal |
| Volume | 6 | Issue | 6 | Pages | 7303-7310 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Amino acids have huge potential as platform chemicals in the biobased industry. Pd-catalyzed decarboxylation is a very promising route for the valorization of these natural compounds derived from protein waste or fermentation. We report that the highly abundant and nonessential amino acid L-proline is very reactive in the Pd-catalyzed decarboxylation. Full conversions are obtained with Pd/C and different Pd/MeOx catalysts; this allowed the identification of the different side reactions and the mapping of the reaction network. Due to the high reactivity of pyrrolidine, the selectivity for pyrrolidine was initially low. By carefully modifying Pd/ZrO2 with Pb in a controlled manner-via two incipient wetness impregnation steps-the selectivity increased remarkably. Finally, a thorough investigation of the reaction parameters resulted in an increased activity of this modified catalyst and an even further enhanced selectivity under a low H-2 pressure of 4 bar at 235 degrees C in water. This results in a very selective and sustainable production route for the highly interesting pyrrolidine. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000387306100005 | Publication Date | 2016-09-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2155-5435 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.614 | Times cited | 27 | Open Access | OpenAccess |
| Notes | ; J.V. and F.D.S. thank Fonds Wetenschappelijk Onderzoek (FWO) and Agency for Innovation by Science and Technology (IWT) for doctoral fellowships. D.D.V. acknowledges IWT and FWO for research project funding. D.D.V. and C.E.A.K. acknowledge the Flemish government for long-term structural funding through Methusalem. D.D.V. and S.B. acknowledge Belspo (IAP-PAI 7/05) for financial support. S.B. is grateful for funding by the European Research Council (ERC starting grant no. 335078-COLOURATOMS). The authors also thank the Department of Chemistry, University of Cologne, Germany for use of their XRD equipment. Finally, the assistance of Karel Duerinckx, Werner Wouters, Walter Vermandel, Ivo Stassen, Dries Jonckheere, Sabina Accardo and Bart Bueken with 11-1 NMR, pressure reactors, CO chemisorption, N<INF>2</INF> physisorption, SEM, gas phase FTIR and high-throughput XRD, respectively, is very much appreciated. ; ecas_Sara | Approved | Most recent IF: 10.614 | ||
| Call Number | UA @ lucian @ c:irua:139171 | Serial |
4445 | ||
| Permanent link to this record | |||||
| Author | Grzelczak, M.; Sanchez-Iglesias, A.; Heidari, H.; Bals, S.; Pastoriza-Santos, I.; Perez-Juste, J.; Liz-Marzan, L.M. | ||||
| Title | Silver Ions Direct Twin-Plane Formation during the Overgrowth of Single-Crystal Gold Nanoparticles | Type | A1 Journal article | ||
| Year | 2016 | Publication | ACS Omega | Abbreviated Journal | |
| Volume | 1 | Issue | 1 | Pages | 177-181 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | It is commonly agreed that the crystalline structure of seeds dictates the crystallinity of final nanoparticles in a seeded-growth process. Although the formation of monocrystalline particles does require the use of single-crystal seeds, twin planes may stem from either single-or polycrystalline seeds. However, experimental control over twin-plane formation remains difficult to achieve synthetically. Here, we show that a careful interplay between kinetics and selective surface passivation offers a unique handle over the emergence of twin planes (in decahedra and triangles) during the growth over single-crystalline gold nanoparticles of quasi-spherical shape. Twinning can be suppressed under conditions of slow kinetics in the presence of silver ions, yielding single-crystalline particles with high-index facets. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000391203300002 | Publication Date | 2016-08-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2470-1343;2470-1343; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 18 | Open Access | OpenAccess | |
| Notes | ; This work was supported by the Spanish Ministerio de Economia y Competitividad MINECO (grants: MAT2013-46101-R, MAT2013-49375-EXP, MAT2013-45168-R). Financial support is acknowledged by the European Research Council (ERC Advanced Grant # 267867, PLASMAQUO; ERC Starting Grant #335078-COLOURATOM). ; ecas_Sara | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:140398 | Serial |
4446 | ||
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| Author | Zhang, F.; Inokoshi, M.; Batuk, M.; Hadermann, J.; Naert, I.; Van Meerbeek, B.; Vleugels, J. | ||||
| Title | Strength, toughness and aging stability of highly-translucent Y-TZP ceramics for dental restorations | Type | A1 Journal article | ||
| Year | 2016 | Publication | Dental materials | Abbreviated Journal | Dent Mater |
| Volume | 32 | Issue | 12 | Pages | E327-E337 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Objective. The aim was to evaluate the optical properties, mechanical properties and aging stability of yttria-stabilized zirconia with different compositions, highlighting the influence of the alumina addition, Y2O3 content and La2O3 doping on the translucency. Methods. Five different Y-TZP zirconia powders (3 commercially available and 2 experimentally modified) were sintered under the same conditions and characterized by X-ray diffraction with Rietveld analysis and scanning electron microscopy (SEM). Translucency (n = 6/group) was measured with a color meter, allowing to calculate the translucency parameter (TP) and the contrast ratio (CR). Mechanical properties were appraised with four-point bending strength (n = 10), single edge V-notched beam (SEVNB) fracture toughness (n = 8) and Vickers hardness (n = 10). The aging stability was evaluated by measuring the tetragonal to monoclinic transformation (n = 3) after accelerated hydrothermal aging in steam at 134 degrees C, and the transformation curves were fitted by the Mehl-Avrami-Johnson (MAJ) equation. Data were analyzed by one-way ANOVA, followed by Tukey's HSD test (alpha = 0.05). Results. Lowering the alumina content below 0.25 wt.% avoided the formation of alumina particles and therefore increased the translucency of 3Y-TZP ceramics, but the hydrothermal aging stability was reduced. A higher yttria content (5 mol%) introduced about 50% cubic zirconia phase and gave rise to the most translucent and aging-resistant Y-TZP ceramics, but the fracture toughness and strength were considerably sacrificed. 0.2 mol% La2O3 doping of 3Y-TZP tailored the grain boundary chemistry and significantly improved the aging resistance and translucency. Although the translucency improvement by La2O3 doping was less effective than for introducing a substantial amount of cubic zirconia, this strategy was able to maintain the mechanical properties of typical 3Y-TZP ceramics. Significance. Three different approaches were compared to improve the translucency of 3YTZP ceramics. (C) 2016 The Academy of Dental Materials. Published by Elsevier Ltd. All rights reserved. | ||||
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| Publisher | Place of Publication | Copenhagen | Editor | ||
| Language | Wos | 000389516400003 | Publication Date | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0109-5641 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 4.07 | Times cited | 47 | Open Access | |
| Notes | Approved | Most recent IF: 4.07 | |||
| Call Number | UA @ lucian @ c:irua:140246 | Serial |
4447 | ||
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| Author | Bez, R.; Zehani, K.; Batuk, M.; Van Tendeloo, G.; Mliki, N.; Bessais, L. | ||||
| Title | Structure and magnetic properties of Sm(Fe,Si)(9)C/alpha-Fe nanocomposite magnets | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of alloys and compounds | Abbreviated Journal | J Alloy Compd |
| Volume | 695 | Issue | 695 | Pages | 810-817 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | SmFe8.75 Si-0.25 C/alpha-Fe nanocomposites have been successfully synthesized using high energy milling, followed by annealing at 750 degrees C. The crystal structure of these compounds was characterized by the Rietveld method using powder X-ray diffraction data. By increasing the concentration of Sm, we observed a decrease in the amount of alpha-Fe phase. The morphology of the samples was determined by scanning and transmission electron microscopy. The average grain size is about 20 nm. The magnetic properties were investigated at room temperature and at 10 K. A ferromagnetic behavior was observed in all samples at both temperatures. An increase of the soft magnetic phase alpha-Fe induced an increase in the magnetization and a decrease in coercivity. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000391817600098 | Publication Date | 2016-10-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0925-8388 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.133 | Times cited | 1 | Open Access | Not_Open_Access |
| Notes | ; This work is main supported by the CNRS and the “Ministere de l'Enseignement Superieur, de la Recherche Scientifique” (LR99ES17) (Tunisia), PHC-Utique (Project 11/G 1301) and PHC-Maghreb (Project 15MAG07). The authors acknowledge the French SIE doctoral school of the University Paris Est for its support. ; | Approved | Most recent IF: 3.133 | ||
| Call Number | UA @ lucian @ c:irua:140380 | Serial |
4448 | ||
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| Author | Ryabova, A.S.; Bonnefont, A.; Zagrebin, P.; Poux, T.; Sena, R.P.; Hadermann, J.; Abakumov, A.M.; Kerangueven, G.; Istomin, S.Y.; Antipov, E.V.; Tsirlina, G.A.; Savinova, E.R. | ||||
| Title | Study of hydrogen peroxide reactions on manganese oxides as a tool to decode the oxygen reduction reaction mechanism | Type | A1 Journal article | ||
| Year | 2016 | Publication | ChemElectroChem | Abbreviated Journal | Chemelectrochem |
| Volume | 3 | Issue | 3 | Pages | 1667-1677 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Hydrogen peroxide has been detected as a reaction intermediate in the electrochemical oxygen reduction reaction (ORR) on transition-metal oxides and other electrode materials. In this work, we studied the electrocatalytic and catalytic reactions of hydrogen peroxide on a set of Mn oxides, Mn2O3, MnOOH, LaMnO3, MnO2, and Mn3O4, that adopt different crystal structures to shed light on the mechanism of the ORR on these materials. We then combined experiment with kinetic modeling with the objective to correlate the differences in the ORR activity to the kinetics of the elementary reaction steps, and we uncovered the importance of structural and compositional factors in the catalytic activity of the Mn oxides. We concluded that the exceptional activity of Mn2O3 in the ORR is due to its high catalytic activity both in the reduction of oxygen to hydrogen peroxide and in the decomposition of the latter, and furthermore, we proposed a tentative link between crystal structure and reactivity. | ||||
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| Publisher | Wiley | Place of Publication | Place of publication unknown | Editor | |
| Language | Wos | 000388377200019 | Publication Date | 2016-07-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2196-0216 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.136 | Times cited | 20 | Open Access | |
| Notes | Approved | Most recent IF: 4.136 | |||
| Call Number | UA @ lucian @ c:irua:139202 | Serial |
4449 | ||
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| Author | D'Olieslaeger, L.; Pfannmöller, M.; Fron, E.; Cardinaletti, I.; Van der Auweraer, M.; Van Tendeloo, G.; Bals, S.; Maes, W.; Vanderzande, D.; Manca, J.; Ethirajan, A. | ||||
| Title | Tuning of PCDTBT : PC71BM blend nanoparticles for eco-friendly processing of polymer solar cells | Type | A1 Journal article | ||
| Year | 2017 | Publication | Solar energy materials and solar cells | Abbreviated Journal | Sol Energ Mat Sol C |
| Volume | 159 | Issue | 159 | Pages | 179-188 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We report the controlled preparation of water processable nanoparticles (NPs) employing the push-pull polymer PCDTBT and the fullerene acceptor PC71BM in order to enable solar cell processing using eco-friendly solvent (i.e. water). The presented method provides the possibility to separate the formation of the active layer blend and the deposition of the active layer into two different processes. For the first time, the benefits of aqueous processability for the high-potential class of push-pull polymers, generally requiring high boiling solvents, are made accessible. With our method we demonstrate excellent control over the blend stoichiometry and efficient mixing. Furthermore, we provide visualization of the nano morphology of the different NPs to obtain structural information down to similar to 2 nm resolution using advanced analytical electron microscopy. The imaging directly reveals very small compositional demixing in the PCDTBT:PC71BM blend NPs, in the size range of about <5 nm, indicating fine mixing at the molecular level. The suitability of the proposed methodology and materials towards the aspects of eco-friendly processing of organic solar cells is demonstrated through a processing of lab scale NPs solar cell prototypes reaching a power conversion efficiency of 1.9%. (C) 2016 Elsevier B.V. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000388053600021 | Publication Date | 2016-09-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0927-0248 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.784 | Times cited | 32 | Open Access | OpenAccess |
| Notes | ; This work was supported by BOF funding of Hasselt University, the Interreg project Organext, and the IAP 7/05 project FS2 (Functional Supramolecular Systems), granted by the Science Policy Office of the Belgian Federal Government (BELSPO). A.E. is a post-doctoral fellow of the Flanders Research Foundation (FWO). M.P. gratefully acknowledges the SIM NanoForce program for financial support. S.B. further acknowledges financial support from the European Research Council (ERC Starting Grant #335078-COLOURATOMS). The authors are thankful for technical support by J. Smits, T. Vangerven, and J. Baccus. ; ecas_sara | Approved | Most recent IF: 4.784 | ||
| Call Number | UA @ lucian @ c:irua:139157UA @ admin @ c:irua:139157 | Serial |
4450 | ||
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