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Author |
Vanherck, J.; Schulenborg, J.; Saptsov, R.B.; Splettstoesser, J.; Wegewijs, M.R. |
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Title |
Relaxation of quantum dots in a magnetic field at finite bias -Charge, spin, and heat currents |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physica status solidi: B: basic research |
Abbreviated Journal |
Phys Status Solidi B |
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Volume |
254 |
Issue |
3 |
Pages |
Unsp 1600614 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
<script type='text/javascript'>document.write(unpmarked('We perform a detailed study of the effect of finite bias and magnetic field on the tunneling-induced decay of the state of a quantum dot by applying a recently discovered general duality [Phys. Rev. B 93, 81411 (2016)]. This duality provides deep physical insight into the decay dynamics of electronic open quantum systems with strong Coulomb interaction. It associates the amplitudes of decay eigenmodes of the actual system to the eigenmodes of a so-called dual system with attractive interaction. Thereby, it predicts many surprising features in the transient transport and its dependence on experimental control parameters: the attractive interaction of the dual model shows up as sharp features in the amplitudes of measurable time-dependent currents through the actual repulsive system. In particular, for interacting quantum dots, the time-dependent heat current exhibits a decay mode that dissipates the interaction energy and that is tied to the fermion parity of the system. We show that its decay amplitude has an unexpected gate-voltage dependence that is robust up to sizable bias voltages and then bifurcates, reflecting that the Coulomb blockade is lifted in the dual system. Furthermore, combining our duality relation with the known Iche-duality, we derive new symmetry properties of the decay rates as a function of magnetic field and gate voltage. Finally, we quantify charge- and spin-mode mixing due to the magnetic field using a single mixing parameter.')); |
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Place of Publication |
Berlin |
Editor |
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Wos  |
000395441500011 |
Publication Date |
2017-01-18 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0370-1972 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.674 |
Times cited |
4 |
Open Access |
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Notes |
; We acknowledge the financial support of Erasmus Mundus (J. V.), DFG project SCHO 641/7-1 (R.B.S. and M.R.W), the Swedish VR (J.Sc., J.Sp.), and the Knut and Alice Wallenberg Foundation (J. Sp.). The authors thank F. Haupt and N. Dittmann for useful discussions on the topic. ; |
Approved |
Most recent IF: 1.674 |
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Call Number |
UA @ lucian @ c:irua:142510 |
Serial |
4894 |
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Author |
Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D.I.; Ghosez, P.; Van de Walle, C.G.; Peeters, F.M. |
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Title |
Ab initio study of hydrogenic effective mass impurities in Si nanowires |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
29 |
Issue |
29 |
Pages |
095303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly distinguishable from the valence and conduction bands. Although this band is evidently induced by the dopant impurity, it turns out to have purely Si character. These results can be rigorously analyzed in the framework of effective mass theory. In the process we resolve some common misconceptions about the physics of hydrogenic shallow impurities, which can be more clearly elucidated in the case of nanowires than would be possible for bulk Si. We also show the importance of correctly describing the effect of dielectric confinement, which is not included in traditional electronic structure calculations, by comparing the obtained results with those of G(0)W(0) calculations. |
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Place of Publication |
London |
Editor |
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Wos |
000395103900002 |
Publication Date |
2017-01-06 |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-8984 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.649 |
Times cited |
1 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl), the NSF MRSEC Program under award No. DMR11-21053, and the Army Research Office (W911NF-13-1-0380). DIB acknowledges financial support from the grant of the Romanian National Authority for Scientific Research, CNCS UEFISCDI, project No. PN-II-RU-TE-2011-3-0085. Ph G acknowledges a research professorship of the Francqui foundation and financial support of the ARC project AIMED and FNRS project HiT4FiT. This research used resources of the Ceci HPC Center funded by F R S-FNRS (Grant No. 2.5020.1) and of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ lucian @ c:irua:142447 |
Serial |
4584 |
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Author |
Berdiyorov, G.R.; Neek-Amal, M.; Hussein, I.A.; Madjet, M.E.; Peeters, F.M. |
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Title |
Large CO2 uptake on a monolayer of CaO |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
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Volume |
5 |
Issue |
5 |
Pages |
2110-2114 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Density functional theory calculations are used to study gas adsorption properties of a recently synthesized CaO monolayer, which is found to be thermodynamically stable in its buckled form. Due to its topology and strong interaction with the CO2 molecules, this material possesses a remarkably high CO2 uptake capacity (similar to 0.4 g CO2 per g adsorbent). The CaO + CO2 system shows excellent thermal stability (up to 1000 K). Moreover, the material is highly selective towards CO2 against other major greenhouse gases such as CH4 and N2O. These advantages make this material a very promising candidate for CO2 capture and storage applications. |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000395074300035 |
Publication Date |
2016-12-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7488; 2050-7496 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.867 |
Times cited |
2 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 8.867 |
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Call Number |
UA @ lucian @ c:irua:142034 |
Serial |
4556 |
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Author |
Christis, M.; Geerken, T.; Vercalsteren, A.; Vrancken, K.C.M. |
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Title |
Improving footprint calculations of small open economies : combining local with multi-regional input-output tables |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Economic systems research |
Abbreviated Journal |
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Volume |
29 |
Issue |
1 |
Pages |
25-47 |
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Keywords |
A1 Journal article; Economics; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
In a small, open and resource-poor economy, import and export dependency have an ever-growing impact on local policy decisions, which makes local (environmental) policy-makers increasingly depend on global data. This increases the interest in models that link local production and consumption data to global production, trade and environmental data. The recent increase in availability of global environmentally extended multi-regional input-output tables (EE-MRIO tables) provides an opportunity to link them with existing local environmentally extended input-output tables (EE-RIO tables). These combined tables make it possible (1) to analyse the links between local and global production and consumption and (2) to study global value chains, material use and environmental impacts simultaneously. However, estimations using input-output (I-O) analyses contain errors due to imperfect databases. In this article the magnitude of specification, aggregation and time errors are estimated and compared. The results show the need to combine local datasets with multi-regional ones and show that highest detailed (country and sector levels) as well as time series of I-O tables are the way forward for using I-O analyses in local policy-making. The paper provides guidance on trading off investments in model adoption and/or extension and the reliability of estimation results. |
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Wos |
000395062800002 |
Publication Date |
2016-11-01 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0953-5314 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:142012 |
Serial |
8071 |
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Author |
Lander, L.; Rousse, G.; Batuk, D.; Colin, C.V.; Dalla Corte, D.A.; Tarascon, J.-M. |
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Title |
Synthesis, structure, and electrochemical properties of k-based sulfates K2M2(SO4)3) with M = Fe and Cu |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
56 |
Issue |
4 |
Pages |
2013-2021 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Stabilizing new host structures through potassium extraction from K-based polyanionic materials has been proven to be an interesting approach to develop new Li+/Na+ insertion materials. Pursuing the same trend, we here report the feasibility of preparing langbeinite “Fe-2(SO4)(3)” via electrochemical and chemical oxidation of K2Fe2(SO4)(3). Additionally, we succeeded in stabilizing a new K2Cu2(SO4)(3) phase via a solid-state synthesis approach. This novel compound crystallizes in a complex orthorhombic structure that differs from that of langbeinite as deduced from synchrotron X-ray and neutron powder diffraction. Electrochemically, the performance of this new phase is limited, which we explain in terms of sluggish diffusion kinetics. We further show that K2Cu2(SO4)(3) decomposes into K2Cu3O(SO4)(3) on heating, and we report for the first time the synthesis of fedotovite K2Cu3O(SO4)(3). Finally, the fundamental attractiveness of these S = 1/2 systems for physicists is examined by neutron magnetic diffraction, which reveals the absence of a long-range ordering of Cu2+ magnetic moments down to 1.5 K. |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000394736600027 |
Publication Date |
2017-01-27 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
13 |
Open Access |
Not_Open_Access |
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Notes |
; We thank Matthieu Courty for performing TGA/DSC measurements. Use of the 11-BM mail service of the APS at Argonne National Laboratory was supported by the U.S. Department of Energy under Contract DE-AC02-06CH11357 and is acknowledged. The French CRG D1B is acknowledged for allocating neutron beamtime. L.L. thanks the ANR “Hipolite” for the Ph.D. funding. ; |
Approved |
Most recent IF: 4.857 |
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Call Number |
UA @ lucian @ c:irua:142531 |
Serial |
4692 |
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Author |
Sieger, M.; Pahlke, P.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Ottolinger, R.; Haenisch, J.; Holzapfel, B.; Usoskin, A.; Kursumovic, A.; MacManus-Driscoll, J.L.; Stafford, B.H.; Bauer, M.; Nielsch, K.; Schultz, L.; Huehne, R. |
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Title |
Tailoring microstructure and superconducting properties in thick BaHfO3 and Ba2YNb/Ta)O-6 doped YBCO films on technical templates |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
IEEE transactions on applied superconductivity |
Abbreviated Journal |
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Volume |
27 |
Issue |
4 |
Pages |
6601407 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The current transport capability of YBa2Cu3O7-x(YBCO) based coated conductors (CCs) is mainly limited by two features: the grain boundaries of the used textured template, which are transferred into the superconducting film through the buffer layers, and the ability to pin magnetic flux lines by incorporation of defined defects in the crystal lattice. By adjusting the deposition conditions, it is possible to tailor the pinning landscape in doped YBCO in order to meet specific working conditions (T, B) for CC applications. To study these effects, we deposited YBCO layers with a thickness of about 1-2 mu m using pulsed laser deposition on buffered rolling-assisted biaxially textured Ni-W substrates as well as on metal tapes having either an ion-beam-texturedYSZbuffer or an MgO layer textured by inclined substrate deposition. BaHfO3 and the mixed double-perovskite Ba2Y(Nb/Ta)O-6 were incorporated as artificial pinning centers in these YBCO layers. X-ray diffraction confirmed the epitaxial growth of the superconductor on these templates as well as the biaxially oriented incorporation of the secondary phase additions in the YBCO matrix. A critical current density J(c) of more than 2 MA/cm(2) was achieved at 77 K in self-field for 1-2 mu m thick films. Detailed TEM (transmission electron microscopy) studies revealed that the structure of the secondary phase can be tuned, forming c-axis aligned nanocolumns, ab-oriented platelets, or a combination of both. Transport measurements show that the J(c) anisotropy in magnetic fields is reduced by doping and the peak in the J(c) (theta) curves can be correlated to the microstructural features. |
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Place of Publication |
New York, N.Y. |
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Language |
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Wos |
000394588100001 |
Publication Date |
2016-12-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1051-8223 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
12 |
Open Access |
OpenAccess |
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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 no. 280432. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:141961 |
Serial |
4693 |
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Author |
Heshmati-Moulai, A.; Simchi, H.; Esmaeilzadeh, M.; Peeters, F.M. |
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Title |
Phase transition and spin-resolved transport in MoS2 nanoribbons |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
94 |
Issue |
94 |
Pages |
235424 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electronic structure and transport properties of monolayer MoS2 are studied using a tight-binding approach coupled with the nonequilibrium Green's function method. A zigzag nanoribbon of MoS2 is conducting due to the intersection of the edge states with the Fermi level that is located within the bulk gap. We show that applying a transverse electric field results in the disappearance of this intersection and turns the material into a semiconductor. By increasing the electric field the band gap undergoes a two stage linear increase after which it decreases and ultimately closes. It is shown that in the presence of a uniform exchange field, this electric field tuning of the gap can be exploited to open low energy domains where only one of the spin states contributes to the electronic conductance. This introduces possibilities in designing spin filters for spintronic applications. |
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Place of Publication |
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Wos |
000394546100005 |
Publication Date |
2016-12-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
7 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ lucian @ c:irua:141978 |
Serial |
4557 |
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Author |
Ben Dkhil, S.; Pfannmöller, M.; Ata, I.; Duche, D.; Gaceur, M.; Koganezawa, T.; Yoshimoto, N.; Simon, J.-J.; Escoubas, L.; Videlot-Ackermann, C.; Margeat, O.; Bals, S.; Bauerle, P.; Ackermann, J. |
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Title |
Time evolution studies of dithieno[3,2-b:2 ',3 '-d] pyrrole-based A-D-A oligothiophene bulk heterojunctions during solvent vapor annealing towards optimization of photocurrent generation |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of materials chemistry A : materials for energy and sustainability |
Abbreviated Journal |
J Mater Chem A |
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Volume |
5 |
Issue |
5 |
Pages |
1005-1013 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Solvent vapor annealing (SVA) is one of the main techniques to improve the morphology of bulk heterojunction solar cells using oligomeric donors. In this report, we study time evolution of nanoscale morphological changes in bulk heterojunctions based on a well-studied dithienopyrrole-based A-D-A oligothiophene (dithieno[3,2-b: 2',3'-d] pyrrole named here 1) blended with [6,6]-phenyl-C-71-butyric acid methyl ester (PC71BM) to increase photocurrent density by combining scanning transmission electron microscopy and low-energy-loss spectroscopy. Our results show that SVA transforms the morphology of 1 : PC71BM blends by a three-stage mechanism: highly intermixed phases evolve into nanostructured bilayers that correspond to an optimal blend morphology. Additional SVA leads to completely phaseseparated micrometer-sized domains. Optical spacers were used to increase light absorption inside optimized 1 : PC71BM blends leading to solar cells of 7.74% efficiency but a moderate photocurrent density of 12.3 mA cm (-2). Quantum efficiency analyses reveal that photocurrent density is mainly limited by losses inside the donor phase. Indeed, optimized 1 : PC71BM blends consist of large donor-enriched domains not optimal for exciton to photocurrent conversion. Shorter SVA times lead to smaller domains; however they are embedded in large mixed phases suggesting that introduction of stronger molecular packing may help us to better balance phase separation and domain size enabling more efficient bulk heterojunction solar cells. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Cambridge |
Editor |
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Language |
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Wos |
000394430800018 |
Publication Date |
2016-11-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7488; 2050-7496 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
8.867 |
Times cited |
19 |
Open Access |
Not_Open_Access |
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Notes |
; We acknowledge financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7, Grant number: 287594). The synchrotron radiation experiments were performed at BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2016A1568). We further acknowledge financial support via ERC Starting Grant Colouratoms (335078). ; |
Approved |
Most recent IF: 8.867 |
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Call Number |
UA @ lucian @ c:irua:142602UA @ admin @ c:irua:142602 |
Serial |
4695 |
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Author |
Matsubara, M.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
Doping anatase TiO2with group V-b and VI-b transition metal atoms: a hybrid functional first-principles study |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
19 |
Issue |
19 |
Pages |
1945-1952 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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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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Place of Publication |
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Editor |
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Language |
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Wos |
000394426400027 |
Publication Date |
2016-12-12 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1463-9076 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.123 |
Times cited |
19 |
Open Access |
OpenAccess |
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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 |
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Call Number |
EMAT @ emat @ c:irua:140835 |
Serial |
4421 |
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Author |
Suffian, I.F.B.M.; Wang, J.T.-W.; Hodgins, N.O.; Klippstein, R.; Garcia-Maya, M.; Brown, P.; Nishimura, Y.; Heidari, H.; Bals, S.; Sosabowski, J.K.; Ogino, C.; Kondo, A.; Al-Jamal, K.T. |
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Title |
Engineering hepatitis B virus core particles for targeting HER2 receptors in vitro and in vivo |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Biomaterials |
Abbreviated Journal |
Biomaterials |
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| |
Volume |
120 |
Issue |
120 |
Pages |
126-138 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Hepatitis B Virus core (HBc) particles have been studied for their potential as drug delivery vehicles for cancer therapy. HBc particles are hollow nano-particles of 30-34 nm diameter and 7 nm thick envelopes, consisting of 180-240 units of 21 kDa core monomers. They have the capacity to assemble/dis-assemble in a controlled manner allowing encapsulation of various drugs and other biomolecules. Moreover, other functional motifs, i.e. receptors, receptor binding sequences, peptides and proteins can be expressed. This study focuses on the development of genetically modified HBc particles to specifically recognise and target human epidermal growth factor receptor-2 (HER2)-expressing cancer cells, in vitro and in vivo, for future cancer therapy. The non-specific binding capacity of wild type HBc particles was reduced by genetic deletion of the sequence encoding arginine-rich domains. A specific HER2-targeting was achieved by expressing the ZHER2 affibodies on the HBc particles surface. In vitro studies showed specific uptake of ZHER2-AHBc particles in HER2 expressing cancer cells. In vivo studies confirmed positive uptake of ZHER2-ABBc particles in HER2-expressing tumours, compared to non-targeted AHBc particles in intraperitoneal tumour-bearing mice models. The present results highlight the potential of these nanocarriers in targeting HER2-positive metastatic abdominal cancer following intra-peritoneal administration. (C) 2016 The Authors. Published by Elsevier Ltd. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Guildford |
Editor |
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Language |
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Wos |
000394398900012 |
Publication Date |
2016-12-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0142-9612 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
8.402 |
Times cited |
20 |
Open Access |
OpenAccess |
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| |
Notes |
; The authors would like to thank Dr. Rafael T. M. de Rosales (King's College London) for useful discussion on the radiolabelling technique and Mr William Luckhurst (King's College London) on the technical help of AFM measurements. IFBMS would like to thank Public Service Department, Government of Malaysia for the Excellence Student Programme studentship. We acknowledge funding from Biotechnology and Biological Sciences Research Council (BBSRC; (BB/J008656/1)) and the EU FP7-ITN Marie-Curie Network programme RADDEL (290023). NH is a recipient of Graduate School King's Health Partner's scholarship. RIC is a Marie Curie Fellow. S.B. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 335078 COLOURATOMS, and the Integrated Infrastructure Initiative No. 262348 European Soft Matter Infrastructure, ESMI. The authors declare that they have no competing interests. ; ecas_Sara |
Approved |
Most recent IF: 8.402 |
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| |
Call Number |
UA @ lucian @ c:irua:141984UA @ admin @ c:irua:141984 |
Serial |
4654 |
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| Permanent link to this record |
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Author |
Satarifard, V.; Mousaei, M.; Hadadi, F.; Dix, J.; Sobrino Fernández, M.; Carbone, P.; Beheshtian, J.; Peeters, F.M.; Neek-Amal, M. |
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Title |
Reversible structural transition in nanoconfined ice |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
95 |
Issue |
95 |
Pages |
064105 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
The report on square ice sandwiched between two graphene layers by Algara-Siller et al. [Nature (London) 519, 443 (2015)] has generated a large interest in this system. By applying high lateral pressure on nanoconfined water, we found that monolayer ice is transformed to bilayer ice when the two graphene layers are separated by H = 6,7 angstrom. It was also found that three layers of a denser phase of ice with smaller lattice constant are formed if we start from bilayer ice and apply a lateral pressure of about 0.7 GPa with H = 8,9 angstrom. The lattice constant (2.5-2.6 angstrom) in both transitions is found to be smaller than those typical for the known phases of ice and water, i.e., 2.8 angstrom. We validate these results using ab initio calculations and find good agreement between ab initio O-O distance and those obtained from classical molecular dynamics simulations. The reversibility of the mentioned transitions is confirmed by decompressing the systems. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393943300005 |
Publication Date |
2017-02-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9950;2469-9969; |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.836 |
Times cited |
23 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem Foundation. ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ lucian @ c:irua:141994 |
Serial |
4558 |
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| Permanent link to this record |
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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. |
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| |
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 |
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| |
Volume |
7 |
Issue |
7 |
Pages |
42420 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393940700001 |
Publication Date |
2017-02-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2045-2322 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.259 |
Times cited |
25 |
Open Access |
OpenAccess |
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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 |
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| |
Call Number |
EMAT @ emat @ c:irua:140846UA @ admin @ c:irua:140846 |
Serial |
4423 |
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Author |
Shirazi, M.; Neyts, E.C.; Bogaerts, A. |
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Title |
DFT study of Ni-catalyzed plasma dry reforming of methane |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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| |
Volume |
205 |
Issue |
205 |
Pages |
605-614 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393931000063 |
Publication Date |
2017-01-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-3373 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
26 |
Open Access |
OpenAccess |
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Notes |
Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish |
Approved |
Most recent IF: 9.446 |
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Call Number |
PLASMANT @ plasmant @ c:irua:139514 |
Serial |
4343 |
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| Permanent link to this record |
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Author |
Zalfani, M.; Hu, Z.-Y.; Yu, W.-B.; Mahdouani, M.; Bourguig, R.; Wu, M.; Li, Y.; Van Tendeloo, G.; Djoued, Y.; Su, B.-L. |
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Title |
BiVO4/3DOM TiO2 nanocomposites: Effect of BiVO4 as highly efficient visible light sensitizer for highly improved visible light photocatalytic activity in the degradation of dye pollutants |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Applied Catalysis B-Environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
205 |
Issue |
205 |
Pages |
121-132 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A series of BiVO4/3DOM TiO2 nanocomposites have been synthesized and their photocatalytic activity was investigated under visible light irradiation using the RhB dye as model pollutant molecule in an aqueous solution. The effect of the amount of BiVO4 as visible light sensitizer on the photocatalytic activity of BiVO4/3DOM TiO2 nanocomposites was highlighted. The heterostructured composite system leads to much higher photocatalytic efficiencies than bare 3DOM TiO2 and BiVO4 nanoparticles. As the proportion of BiVO4 in BiVO4/3DOM TiO2 nanocomposites increases from 0.04 to 0.6, the photocatalytic performance of the BiVO4/3DOM TiO2 nanocomposites increases and then decreases after reaching a maximum at 0.2. This improvement in photocatalytic perfomance is related to 1) the interfacial electron transfer efficiency between the coupled materials, 2) the 3DOM TiO2 inverse opal structure with interconnected pores providing an easy mass transfer of the reactant molecules and high accessibility to the active sites and large surface area and 3) the effect of light sensitizer of BiVO4. Intensive studies on structural, textural, optical and surface properties reveal that the electronic interactions between BiVO4 and TiO2 lead to an improved charge separation of the coupled BiVO4/TiO2 system. The photogenerated charge carrier densities increase with increasing the BiVO4 content, which acts as visible light sensitizer to the TiO2 and is responsible for the enhancement in the rate of photocatalytic degradation. However, the photocatalytic activity is reduced when the BiVO4 amount is much higher than that of 3DOM TiO2. Two reasons could account for this behavior. First, with increasing BiVO4 content, the photogenerated electron/hole pairs are accumulated at the surface of the BiVO4 nanoparticles and the recombination rate increases as shown by the PL results. Second, decreasing the amount of 3DOM TiO2 in the nanocomposite decreases the surface area as shown by the BET results. Moreover, the poor adsorptive properties of the BiVO4 photocatalyst also affect the photocatalytic performance, in particular at higher BiVO4 content. The present work demonstrates that BiVO4/3DOM TiO2 is a very promising heterojunction system for visible light photocatalytic applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393931000013 |
Publication Date |
2016-12-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-3373 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
52 |
Open Access |
OpenAccess |
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Notes |
Z. Y. Hu and G. Van Tendeloo acknowledge support from the EC Framework 7 program ESTEEM2 (Reference 312483). |
Approved |
Most recent IF: 9.446 |
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Call Number |
EMAT @ emat @ |
Serial |
4323 |
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Author |
Zalfani, M.; Hu, Z.-Y.; Yu, W.-B.; Mahdouani, M.; Bourguiga, R.; Wu, M.; Li, Y.; Van Tendeloo, G.; Djoued, Y.; Su, B.-L. |
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Title |
BiVo4/3DOM TiO2 nanocomposites : effect of BiVO4 as highly efficient visible light sensitizer for highly improved visible light photocatalytic activity in the degradation of dye pollutants |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Applied catalysis : B : environmental |
Abbreviated Journal |
Appl Catal B-Environ |
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Volume |
205 |
Issue |
205 |
Pages |
121-132 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A series of BiVO4/3DOM TiO2 nanocomposites have been synthesized and their photocatalytic activity was investigated under visible light irradiation using the RhB dye as model pollutant molecule in an aqueous solution. The effect of the amount of BiVO4 as visible light sensitizer on the photocatalytic activity of BiVO4/3DOM TiO2 nanocomposites was highlighted. The heterostructured composite system leads to much higher photocatalytic efficiencies than bare 3DOM TiO2 and BiVO4 nanoparticles. As the proportion of BiVO4 in BiVO4/3DOM TiO2 nanocomposites increases from 0.04 to 0.6, the photocatalytic performance of the BiVO4/3DOM TiO2 nanocomposites increases and then decreases after reaching a maximum at 0.2. This improvement in photocatalytic perfomance is related to 1) the interfacial electron transfer efficiency between the coupled materials, 2) the 3DOM TiO2 inverse opal structure with interconnected pores providing an easy mass transfer of the reactant molecules and high accessibility to the active sites and large surface area and 3) the effect of light sensitizer of BiVO4. Intensive studies on structural, textural, optical and surface properties reveal that the electronic interactions between BiVO4 and TiO2 lead to an improved charge separation of the coupled BiVO4/TiO2 system. The photogenerated charge carrier densities increase with increasing the BiVO4 content, which acts as visible light sensitizer to the TiO2 and is responsible for the enhancement in the rate of photocatalytic degradation. However, the photocatalytic activity is reduced when the BiVO4 amount is much higher than that of 3DOM TiO2. Two reasons could account for this behavior. First, with increasing BiVO4 content, the photogenerated electron/hole pairs are accumulated at the surface of the BiVO4 nanoparticles and the recombination rate increases as shown by the PL results. Second, decreasing the amount of 3DOM TiO2 in the nanocomposite decreases the surface area as shown by the BET results. Moreover, the poor adsorptive properties of the BiVO4 photocatalyst also affect the photocatalytic performance, in particular at higher BiVO4 content. The present work demonstrates that BiVO4/3DOM TiO2 is a very promising heterojunction system for visible light photocatalytic applications. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000393931000013 |
Publication Date |
2016-12-08 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0926-3373 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
9.446 |
Times cited |
52 |
Open Access |
OpenAccess |
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Notes |
; This work was realized with the financial support of Chinese Ministry of Education in a framework of the Changjiang Scholar Innovative Research Team Program (IRT_15R52). B. L. Su acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents” and a Clare Hall Life Member, University of Cambridge. Y. Li acknowledges Hubei Provincial Department of Education for the “Chutian Scholar” program. This work is also supported by PhD Programs Foundation (20120143120019) of Chinese Ministry of Education, the Wuhan Youth Chenguang Program of Science and Technology (2013070104010003), Hubei Provincial Natural Science Foundation (2014CFB160, 2015CFB516), the National Science Foundation for Young Scholars of China (No. 51502225) and Self-determined and Innovative Research Funds of the SKLWUT (2015-ZD-7). MZ thanks the scholarship support from the Laboratory of Inorganic Materials Chemistry ay the University of Namur. Z. Y. Hu and G. Van Tendeloo acknowledge support from the EC Framework 7 program ESTEEM2 (Reference 312483). This research used resources of the Electron Microscopy Service located at the University of Namur. This Service is member of the “Plateforme Technologique Morphologie – Imagerie”. The XPS analyses were made in the LISE, Department of Physics of University of Namur thanks to Dr. P. Louette. XRD measurements, UV-vis and photoluminescent spectroscopic analyses and N<INF>2</ INF> adsorption-desorption measurements were made with the facility of the “Plateforme Technologique Physico-Chimique”. ; |
Approved |
Most recent IF: 9.446 |
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Call Number |
UA @ lucian @ c:irua:138601 |
Serial |
4405 |
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Author |
Heidari, H.; Rivero, G.; Idrissi, H.; Ramachandran, D.; Cakir, S.; Egoavil, R.; Kurttepeli, M.; Crabbé, A.C.; Hauffman, T.; Terryn, H.; Du Prez, F.; Schryvers, D. |
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Title |
Melamine–Formaldehyde Microcapsules: Micro- and Nanostructural Characterization with Electron Microscopy |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Microscopy and microanalysis |
Abbreviated Journal |
Microsc Microanal |
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Volume |
22 |
Issue |
22 |
Pages |
1222-1232 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A systematic study has been carried out to compare the surface morphology, shell thickness, mechanical properties, and binding behavior of melamine–formaldehyde microcapsules of 5–30 μm diameter size with various amounts of core content by using scanning and transmission electron microscopy including electron tomography, in situ nanomechanical tensile testing, and electron energy-loss spectroscopy. It is found that porosities are present on the outside surface of the capsule shell, but not on the inner surface of the shell. Nanomechanical tensile tests on the capsule shells reveal that Young’s modulus of the shell material is higher than that of bulk melamine–formaldehyde and that the shells exhibit a larger fracture strain compared with the bulk. Core-loss elemental analysis of microcapsules embedded in epoxy indicates that during the curing process, the microcapsule-matrix interface remains uniform and the epoxy matrix penetrates into the surface micro-porosities of the capsule shells. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393853100011 |
Publication Date |
2016-12-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1431-9276 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.891 |
Times cited |
2 |
Open Access |
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Notes |
This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The authors are also thankful to Stijn Van den Broeck and Dr. Frederic Leroux for help in sample preparation and to S. Bals and J. Verbeeck for valuable discussions. H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs, under Contract No. P7/21. |
Approved |
Most recent IF: 1.891 |
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Call Number |
EMAT @ emat @ c:irua:138980 |
Serial |
4333 |
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Author |
Belik, A.A.; Morozov, V.A.; Deyneko, D.V.; Savon, A.E.; Baryshnikova, O.V.; Zhukovskaya, E.S.; Dorbakov, N.G.; Katsuya, Y.; Tanaka, M.; Stefanovich, S.Y.; Hadermann, J.; Lazoryak, B.I. |
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Title |
Antiferroelectric properties and site occupations ofR3+ cations in Ca8MgR(PO4)7 luminescent host materials |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of alloys and compounds |
Abbreviated Journal |
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Volume |
699 |
Issue |
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Pages |
928-937 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
Ca8MgR(PO4)(7) = La, Pr, Nd, Sm-Lu, and Y) phosphates with a beta-Ca-3(PO4)(2) related structure were prepared by a standard solid-state method in air. Second-harmonic generation, differential scanning calorimetry, and dielectric measurements led to the conclusion that all Ca8MgR(PO4)(7) are centrosymmetric and go to another centrosymmetric phase in the course of a first-order antiferroelectric phase transition well above room temperature (RT). High-temperature electron diffraction showed that the symmetry changes from R (3) over barc to R (3) over barm during the phase transition. Structures of Ca8MgR(PO4)(7) at RT were refined by the Rietveld method in centrosymmetric space group R (3) over barc. Mg2+ cations occupy the M5 site; the occupancy of the M1 site by R3+ cations increases monotonically from 0.0389 for R = La to 0.1667 for R = Er-Lu, whereas the occupancy of the M3 site by R3+ cations decreases monotonically from 0.1278 for R = La to 0 for R = Er-Lu. In the case of R = Er-Lu, the M3 site is occupied only by Ca2+ cations. P1O(4) tetrahedra and cations at the M3 site are disordered in the R (3) over barc structure of Ca8MgEu(PO4)(7). Using synchrotron X-ray powder diffraction, we found that annealing conditions do not significantly affect the distribution of Ca2+ and Eu3+ cations between the structure positions of Ca8MgEu(PO4)(7). Luminescent properties of CasMgEu(PO4)(7) powder samples were investigated under near-ultraviolet (n-UV) light. Excitation spectra of CasMgEu(PO4)(7) show the strongest absorption at about 395 nm that matches with commercially available n-UV-emitting GaN-based LED chips. Emission spectra show an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+. (C) 2016 Elsevier B.V. All rights reserved. |
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Wos |
000393727500129 |
Publication Date |
2016-12-24 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0925-8388 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:152665 |
Serial |
7464 |
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| Permanent link to this record |
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Author |
Cotte, M.; Checroun, E.; De Nolf, W.; Taniguchi, Y.; De Viguerie, L.; Burghammer, M.; Walter, P.; Rivard, C.; Salome, M.; Janssens, K.; Susini, J. |
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Title |
Lead soaps in paintings : friends or foes? |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Studies in conservation |
Abbreviated Journal |
Stud Conserv |
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| |
Volume |
62 |
Issue |
1 |
Pages |
2-23 |
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| |
Keywords |
A1 Journal article; Art; History; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
The origin(s) and role(s) of metal soaps in paints are a worldwide concern today. These hybrid compounds, containing both fatty acid chains and metals associated with a carboxylate function, are increasingly identified in paints. As reviewed in the first part of this work, the presence of metal soaps in paints is differently interpreted in scientific publications: metal soaps are sometimes considered to play a positive role as anchor points, during paint drying processes; they can also be considered as responsible for many degradation processes (protrusions, efflorescences, darkening, etc.). Their origins are also interpreted in various ways. In some paintings (in particular from the twentieth century), they have sometimes introduced on purpose, as additives, to modify the physical properties of the painting materials. In older paintings, metal soaps are usually thought to result from an uncontrolled reaction of oil with lead-based pigments, in particular lead white, red lead, and lead tin yellow. In the second part of this work, the review of historical recipes of lead-based paint shows an important number of recipes based on controlled mixing of oil with lead driers. In the third part, the experimental reproduction of such traditional recipes using walnut oil and litharge (PbO) shows that lead soaps can be formed, both in about one hour at approximate to 100 degrees C, or in about one month at room temperature. It shows as well that after a few years, litharge is no longer detected in the paint medium, while different lead carbonates are. Finally, the micro-infrared spectroscopy and micro-X-ray diffraction re-analysis of protrusions from a nine-year model painting shows together with lead soaps, the presence of Pb-5(CO3)(3)(OH)(2)O ('synthetic plumbonacrite'), an unusual phase recently observed in a protrusion from a painting by Vincent Van Gogh. This work highlights (i) the multiple origins and roles of metal soaps in paints and (ii) the importance of combining the analysis of fragments from historical paintings with the analysis and reproduction of historical recipes. In particular, we show that the components detected today in historical paintings may severely differ from those originally used or prepared by the painter, complicating the assessment of the painter's intentions. More than the presence of metal soaps, the key questions to be tackled should be about their origins and (re)mobilization. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393691200002 |
Publication Date |
2016-10-03 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0039-3630; 2047-0584 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
0.578 |
Times cited |
26 |
Open Access |
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Notes |
; This work was supported by the European Synchrotron Radiation Facility. ; |
Approved |
Most recent IF: 0.578 |
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Call Number |
UA @ admin @ c:irua:141976 |
Serial |
5690 |
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| Permanent link to this record |
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Author |
Lu, A.K.A.; Pourtois, G.; Luisier, M.; Radu, I.P.; Houssa, M. |
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Title |
On the electrostatic control achieved in transistors based on multilayered MoS2 : a first-principles study |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of applied physics |
Abbreviated Journal |
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| |
Volume |
121 |
Issue |
4 |
Pages |
044505 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this work, the electrostatic control in metal-oxide-semiconductor field-effect transistors based on MoS2 is studied, with respect to the number of MoS2 layers in the channel and to the equivalent oxide thickness of the gate dielectric, using first-principles calculations combined with a quantum transport formalism. Our simulations show that a compromise exists between the drive current and the electrostatic control on the channel. When increasing the number of MoS2 layers, a degradation of the device performances in terms of subthreshold swing and OFF currents arises due to the screening of the MoS2 layers constituting the transistor channel. Published by AIP Publishing. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393480100030 |
Publication Date |
2017-01-26 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:152673 |
Serial |
8329 |
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| Permanent link to this record |
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Author |
Niu, H.; Pitcher, M.J.; Corkett, A.J.; Ling, S.; Mandal, P.; Zanella, M.; Dawson, K.; Stamenov, P.; Batuk, D.; Abakumov, A.M.; Bull, C.L.; Smith, R.I.; Murray, C.A.; Day, S.J.; Slater, B.; Cora, F.; Claridge, J.B.; Rosseinsky, M.J. |
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Title |
Room Temperature Magnetically Ordered Polar Corundum GaFeO3 Displaying Magnetoelectric Coupling |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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Volume |
139 |
Issue |
4 |
Pages |
1520-1531 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The polar corundum structure type offers a route to new room temperature multiferroic materials, as the partial LiNbO3-type cation ordering that breaks inversion symmetry may be combined with long-range magnetic ordering of high spin d(5) cations above room temperature in the AFeO(3) system. We report the synthesis of a polar corundum GaFeO3 by a high-pressure, high-temperature route and demonstrate that its polarity arises from partial LiNbO3 -type cation ordering by complementary use of neutron, X-ray, and electron diffraction methods. In situ neutron diffraction shows that the polar corundum forms directly from AlFeO3-type GaFeO3 under the synthesis conditions. The A(3+)/Fe3+ cations are shown to be more ordered in polar corundum GaFeO3 than in isostructural ScFeO3. This is explained by DFT calculations which indicate that the extent of ordering is dependent on the configurational entropy available to each system at the very different synthesis temperatures required to form their corundum structures. Polar corundum GaFeO3 exhibits weak ferromagnetism at room temperature that arises from its Fe2O3-like magnetic ordering, which persists to a temperature of 408 K. We demonstrate that the polarity and magnetization are coupled in this system with a measured linear magnetoelectric coupling coefficient of 0.057 ps/m. Such coupling is a prerequisite for potential applications of polar corundum materials in multiferroic/magnetoelectric devices. |
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Corporate Author |
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Place of Publication |
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Editor |
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Wos |
000393355600034 |
Publication Date |
2016-12-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.858 |
Times cited |
12 |
Open Access |
OpenAccess |
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Notes |
This work was funded by the EPSRC under EP/N004884. We thank the STFC for provision of beam time at ISIS and Diamond Light Source. We thank the Materials Chemistry Consortium (EPSRC, EP/L000202) for access to computer time on the ARCHER UK National Supercomputing Service (http://www.archer.ac.uk). A.M.A. is grateful to the Russian Science Foundation (Grant 14-13-00680) for financial support. MJ.R is a Royal Society Research Professor. We wish to thank Dr. Ming Li (University of Nottingham, UK) for helpful discussion and advice. Original data is available at the University of Liverpool's DataCat repository at DOI: 10.17638/datacat.liverpool.ac.uk/235. The supporting crystallographic information file may also be obtained from FIZ Karlsruhe, 76344 Eggenstein-Leopoldshafen, Germany (e-mail: crysdata@fiz-karlsruhe.de), on quoting the deposition number CSD-432419. |
Approved |
Most recent IF: 13.858 |
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Call Number |
EMAT @ emat @c:irua:147507 |
Serial |
4777 |
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| Permanent link to this record |
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Author |
Bal, K.M.; Cautereels, J.; Blockhuys, F. |
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Title |
Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2 |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Journal of molecular structure |
Abbreviated Journal |
J Mol Struct |
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Volume |
1132 |
Issue |
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Pages |
102-108 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The conformational and configurational preferences of Me2PNSNPMe2 (3) and Me2PNSNAsMe2 (4) have been identified using quantum chemical calculations at the DFT/B3LYP/6-311+G* level of theory. An approach in which energetic, structural (geometries and bond orders), electronic (analysis of the electron density) and spectroscopic properties are combined leads to the conclusion that these sulfur-nitrogen-pnictogen chains share many of the properties of their chalcogen-nitrogen analogues but that the through-space intramolecular interactions favouring the Z,Z configuration are even weaker than in these latter compounds. The results of this analysis also lead to an unambiguous assignment of the variable-temperature 31P and 15N NMR spectra of these compounds and their structures both in solution and in the solid state. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
Amsterdam |
Editor |
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Language |
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Wos |
000393254400015 |
Publication Date |
2016-08-07 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-2860 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
1.753 |
Times cited |
|
Open Access |
Not_Open_Access: Available from 03.10.2019
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Notes |
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Approved |
Most recent IF: 1.753 |
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Call Number |
UA @ lucian @ c:irua:145533 |
Serial |
4726 |
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Author |
Vermeylen, S.; De Waele, J.; Vanuytsel, S.; De Backer, J.; Van der Paal, J.; Ramakers, M.; Leyssens, K.; Marcq, E.; Van Audenaerde, J.; L. J. Smits, E.; Dewilde, S.; Bogaerts, A. |
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Title |
Cold atmospheric plasma treatment of melanoma and glioblastoma cancer cells |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
13 |
Issue |
13 |
Pages |
1195-1205 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
In this paper, two types of melanoma and glioblastoma cancer cell lines are treated with cold atmospheric plasma to assess the effect of several parameters on the cell viability. The cell viability decreases with treatment duration and time until analysis in all cell lines with varying sensitivity. The majority of dead cells stains both AnnexinV (AnnV) and propidium iodide, indicating that the plasma-treated non-viable cells are mostly late apoptotic or necrotic. Genetic mutations might be involved in the response to plasma. Comparing the effects of two gas mixtures, as well as indirect plasma-activated medium versus direct treatment, gives different results per cell line. In conclusion, this study confirms the potential of plasma for cancer therapy and emphasizes the influence of experimental parameters on therapeutic outcome. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393131600007 |
Publication Date |
2016-10-31 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
26 |
Open Access |
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Notes |
The authors acknowledge the University of Antwerp for providing research funds. The authors are very grateful to V. Schulz-von der Gathen and J. Benedikt (Bochum University) for providing the COST RF plasma jet. The authors would also like to thank Eva Santermans (University of Hasselt) for statistical advice. J. De Waele, J. Van Audenaerde and J. Van der Paal are research fellows of the Research Foundation Flanders (fellowship numbers: 1121016N, 1S32316N and 11U5416N), E. Marcq of Flanders Innovation & Entrepreneurship (fellowship number: 141433). |
Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @ c:irua:138722 |
Serial |
4328 |
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| Permanent link to this record |
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Author |
Laroussi, M.; Bogaerts, A.; Barekzi, N. |
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Title |
Plasma processes and polymers third special issue on plasma and cancer |
Type |
Editorial |
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Year |
2016 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
Plasma Process Polym |
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Volume |
13 |
Issue |
13 |
Pages |
1142-1143 |
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Keywords |
Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Address |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000393131600001 |
Publication Date |
2016-10-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1612-8850 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.846 |
Times cited |
1 |
Open Access |
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Notes |
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Approved |
Most recent IF: 2.846 |
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Call Number |
PLASMANT @ plasmant @ c:irua:141546 |
Serial |
4474 |
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Author |
Roefs, I.; Meulman, B.; Vreeburg, J.H.G.; Spiller, M. |
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Title |
Centralised, decentralised or hybrid sanitation systems? Economic evaluation under urban development uncertainty and phased expansion |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Water research |
Abbreviated Journal |
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Volume |
109 |
Issue |
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Pages |
274-286 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Sanitation systems are built to be robust, that is, they are dimensioned to cope with population growth and other variability that occurs throughout their lifetime. It was recently shown that building sanitation systems in phases is more cost effective than one robust design. This phasing can take place by building small autonomous decentralised units that operate closer to the actual demand. Research has shown that variability and uncertainty in urban development does affect the cost effectiveness of this approach. Previous studies do not, however, consider the entire sanitation system from collection to treatment. The aim of this study is to assess the economic performance of three sanitation systems with different scales and systems characteristics under a variety of urban development pathways. Three systems are studied: (I) a centralised conventional activated sludge treatment, (II) a community on site source separation grey water and black water treatment and (III) a hybrid with grey water treatment at neighbourhood scale and black water treatment off site. A modelling approach is taken that combines a simulation of greenfield urban growth, a model of the wastewater collection and treatment infrastructure design properties and a model that translates design parameters into discounted asset lifetime costs. Monte Carlo simulations are used to evaluate the economic performance under uncertain development trends. Results show that the conventional system outperforms both of the other systems when total discounted lifetime costs are assessed, because it benefits from economies of scale. However, when population growth is lower than expected, the source-separated system is more cost effective, because of reduced idle capacity. The hybrid system is not competitive under any circumstance due to the costly double piping and treatment. (C) 2016 Elsevier Ltd. All rights reserved. |
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Place of Publication |
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Wos |
000392788900028 |
Publication Date |
2016-11-23 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0043-1354; 1879-2448 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:143853 |
Serial |
7587 |
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Author |
Conings, B.; Babayigit, A.; Klug, M. T.; Bai, S.; Gauquelin, N.; Sakai, N.; Wang, J. T.-W.; Verbeeck, J.; Boyen, H.-G. |
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Title |
A Universal Deposition Protocol for Planar Heterojunction Solar Cells with High Efficiency Based on Hybrid Lead Halide Perovskite Families |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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Volume |
28 |
Issue |
28 |
Pages |
10701-10709 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
A robust and expedient gas quenching method is developed for the solution deposition of hybrid perovskite thin films. The method offers a reliable standard practice for the fabrication of a non-exhaustive variety of perovskites exhibiting excellent film morphology and commensurate high performance in both regular and inverted structured solar cell architectures. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000392728200014 |
Publication Date |
2016-10-17 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1521-4095 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19.791 |
Times cited |
95 |
Open Access |
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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 Imec and FWO. M.T.K. acknowledges funding from the EPSRC project EP/M024881/1 “Organic-inorganic Perovskite Hybrid Tandem Solar Cells”. S.B. is a VINNMER Fellow and Marie Skłodowska-Curie Fellow. 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. N.G. acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The authors thank Johnny Baccus and Jan Mertens for technical support.; ECASJO_; |
Approved |
Most recent IF: 19.791; 2016 IF: NA |
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Call Number |
EMAT @ emat @ c:irua:138597 |
Serial |
4318 |
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Author |
Rozova, M.G.; Grigoriev, V.V.; Tyablikov, O.A.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Antipov, E.V.; Abakumov, A.M. |
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Title |
Doping of Bi4Fe5O13F with pentagonal Cairo lattice with Cr and Mn: Synthesis, structure and magnetic properties |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Materials research bulletin |
Abbreviated Journal |
Mater Res Bull |
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Volume |
87 |
Issue |
87 |
Pages |
54-60 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The substitution of Cr3+ and Mn3+ for Fe3+ in the Bi4Fe6O13F oxyfluoride featuring the magnetically frustrated pentagonal Cairo lattice is reported. Bi4Fe4.1Cr0.9O13F and BiFe4.2Mn0.8O13F have been prepared using a solid state reaction in inert atmosphere. Their crystal structures were studied with transmission electron microscopy, powder X-ray diffraction and Fe-57 Mossbauer spectroscopy (S.G. P4(2)/mbc, a = 8.27836(2)angstrom, c = 18.00330(9) angstrom, R-F = 0.031 (Bi4Fe4.1Cr0.9O13F)), a= 8.29535(3)angstrom, c= 18.0060(1)angstrom, R-F = 0.027 (Bi4Fe4.1Cr0.9O13F)). The structures are formed by infinite rutile-like chains of the edge sharing BO6 octahedra (B transition metal cations) linked by the Fe2O7 groups of two corner-sharing tetrahedra. The"voids in thus formed framework are occupied by the Bi4F tetrahedra. The Fe-57 Mossbauer spectroscopy reveals that Cr3+ and Mn3+ replace Fe3+. exclusively at the octahedral positions. The Mn- and Cr-doped compounds demonstrate antiferromagnetic ordering below T-N =165 K and 120 K, respectively. (C) 2016 Elsevier Ltd. All rights reserved. |
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Place of Publication |
New York, N.Y. |
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Language |
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Wos |
000392681800009 |
Publication Date |
2016-11-17 |
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Edition |
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ISSN |
0025-5408 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.446 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
; The work has been supported by the Russian Science Foundation (grant 14-13-00680). ; |
Approved |
Most recent IF: 2.446 |
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Call Number |
UA @ lucian @ c:irua:141535 |
Serial |
4498 |
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Author |
Wee, L.H.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Zhang, K.; Marleny Rodriguez-Albelo, L.; Masala, A.; Bordiga, S.; Jiang, J.; Navarro, J.A.R.; Kirschhock, C.E.A.; Martens, J.A. |
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Title |
1D-2D-3D Transformation Synthesis of Hierarchical Metal-Organic Framework Adsorbent for Multicomponent Alkane Separation |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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Volume |
139 |
Issue |
139 |
Pages |
819-828 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
A new hierarchical MOF consisting of Cu(II) centers connected by benzene-tricarboxylates (BTC) is prepared by thermoinduced solid transformation of a dense CuBTC precursor phase. The mechanism of the material formation has been thoroughly elucidated and revealed a transformation of a ribbon-like 1D building unit into 2D layers and finally a 3D network. The new phase contains excess copper, charge compensated by systematic hydroxyl groups, which leads to an open microporous framework with tunable permanent mesoporosity. The new phase is particularly attractive for molecular separation. Energy consumption of adsorptive separation processes can be lowered by using adsorbents that discriminate molecules based on adsorption entropy rather than enthalpy differences. In separation of a 11-component mixture of C-1-C-6 alkanes, the hierarchical phase outperforms the structurally related microporous HKUST-1 as well as silicate-based hierarchical materials. Grand canonical Monte Carlo (GCMC) simulation provides microscopic insight into the structural host-guest interaction, confirming low adsorption enthalpies and significant entropic contributions to the molecular separation. The unique three-dimensional hierarchical structure as well as the systematic presence of Cu(II) unsaturated coordination sites cause this exceptional behavior. |
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Place of Publication |
Washington, D.C. |
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Language |
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Wos |
000392459300041 |
Publication Date |
2016-12-15 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.858 |
Times cited |
33 |
Open Access |
Not_Open_Access |
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Notes |
; L.H.W. and S.T. thank Research Foundation Flanders (FWO) for a postdoctoral research fellowship under contract numbers 12M1415N and G004613N, respectively. J.J. is grateful to the National University of Singapore for financial supports (R261-508-001-646/733 and R-279-000-474-112). J.A.R.N. acknowledges generous funding from Spanish Ministry of Economy (CTQ2014-53486-R) and FEDER and Marie Curie IIF-625939 (L.M.R.A) funding from European Union. J.A.M. gratefully acknowledges financial support from Flemish Government (Long-term structural funding Methusalem). Collaboration among universities was supported by the Belgian Government (IAP-PAI network). We thank E. Gobechiya for XRD measurements. We would like to acknowledge Matthias Thommes for the discussion on the interpretation of N<INF>2</INF> physisorption isotherms. ; |
Approved |
Most recent IF: 13.858 |
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Call Number |
UA @ lucian @ c:irua:141513 c:irua:141513 c:irua:141513 c:irua:141513 |
Serial |
4492 |
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Author |
Batuk, D.; Batuk, M.; Filimonov, D.S.; Zakharov, K.V.; Volkova, O.S.; Vasiliev, A.N.; Tyablikov, O.A.; Hadermann, J.; Abakumov, A.M. |
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Title |
Crystal Structure, Defects, Magnetic and Dielectric Properties of the Layered Bi3n+1Ti7Fe3n-3,O9n+11 Perovskite-Anatase lntergrowths |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
Inorg Chem |
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Volume |
56 |
Issue |
56 |
Pages |
931-942 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
The Bi3n+1Ti7Fe3n-3,O9n+11 materials are built of (001)(p) plane parallel perovskite blocks with a thickness of n (Ti,Fe)O-6 octahedra, separated by periodic translational interfaces. The interfaces are based on anatase-like chains of edge -sharing (Ti,Fe)O-6 octahedra. Together with the octahedra of the perovskite blocks, they create S-shaped tunnels stabilized by lone pair Bi3+ cations. In this work, the structure of the n = 4-6 Bi3n+1Ti7Fe3n-3,O9n+11 homologues is analyzed in detail using advanced transmission electron microscopy, powder X-ray diffraction, and Mossbauer spectroscopy. The connectivity of the anatase-like chains to the perovskite blocks results in,a 3ap periodicity along the interfaces, so that they can be located either on top of each other or with shifts of +/- a(p) along [100](p). The ordered arrangement of the interfaces gives rise to orthorhombic Immm and monoclinic A2/m polymorphs with the unit cell parameters a = 3a(p), b = b(p), c = 2(n + 1)c(p) and a = 3a(p), b = b(p), c = 2(n + 1)c(p) – a(p), respectively. While the n = 3 compound is orthorhombic, the monoclinic modification is more favorable in higher homologues. The Bi3n+1Ti7Fe3n-3,O9n+11 structures demonstrate intricate patterns of atomic displacements in the perovskite blocks, which are supported by the stereochemical activity of the Bi3+ cations. These patterns are coupled to the cationic coordination of the oxygen atoms in the (Ti,Fe)O-2 layers at the border of the perovskite blocks. The coupling is strong in the 1/ = 3, 4 homologues, but gradually reduces with the increasing thickness of the perovskite blocks, so that, in the n = 6 compound, the dominant mode of atomic displacements is aligned along the interface planes. The displacements in the adjacent perovskite blocks tend to order antiparallel, resulting in an overall antipolar structure. The Bi3n+1Ti7Fe3n-3,O9n+11 materials demonstrate an unusual diversity of structure defects. The n = 4-6 homologues are robust antiferromagnets below T-N = 135, 220, and 295 K, respectively. They show a high dielectric constant that weakly increases with temperature and is relatively insensitive to the Ti/Fe ratio. |
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Place of Publication |
Easton, Pa |
Editor |
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Language |
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Wos |
000392262400029 |
Publication Date |
2016-12-25 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0020-1669 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
4.857 |
Times cited |
3 |
Open Access |
Not_Open_Access |
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Notes |
; The work was supported by the Russian Science Foundation (grant 14-13-00680). ; |
Approved |
Most recent IF: 4.857 |
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Call Number |
UA @ lucian @ c:irua:141471 |
Serial |
4495 |
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Author |
Mohammed, M.; Verhulst, A.S.; Verreck, D.; Van de Put, M.; Simoen, E.; Sorée, B.; Kaczer, B.; Degraeve, R.; Mocuta, A.; Collaert, N.; Thean, A.; Groeseneken, G. |
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Title |
Electric-field induced quantum broadening of the characteristic energy level of traps in semiconductors and oxides |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
120 |
Issue |
120 |
Pages |
245704 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The trap-assisted tunneling (TAT) current in tunnel field-effect transistors (TFETs) is one of the crucial factors degrading the sub-60 mV/dec sub-threshold swing. To correctly predict the TAT currents, an accurate description of the trap is required. Since electric fields in TFETs typically reach beyond 10(6) V/cm, there is a need to quantify the impact of such high field on the traps. We use a quantum mechanical implementation based on the modified transfer matrix method to obtain the trap energy level. We present the qualitative impact of electric field on different trap configurations, locations, and host materials, including both semiconductors and oxides. We determine that there is an electric-field related trap level shift and level broadening. We find that these electric-field induced quantum effects can enhance the trap emission rates. Published by AIP Publishing. |
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Publisher |
American Institute of Physics |
Place of Publication |
New York, N.Y. |
Editor |
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Language |
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Wos |
000392174000028 |
Publication Date |
2016-12-26 |
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Series Editor |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0021-8979; 1089-7550 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.068 |
Times cited |
6 |
Open Access |
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Notes |
; This work was supported by imec's Industrial Affiliation Program. D. Verreck acknowledges the support of a PhD stipend from IWT-Vlaanderen. ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ lucian @ c:irua:141481 |
Serial |
4593 |
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Author |
Sánchez-Iglesias, A.; Winckelmans, N.; Altantzis, T.; Bals, S.; Grzelczak, M.; Liz-Marzán, L.M. |
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Title |
High-Yield Seeded Growth of Monodisperse Pentatwinned Gold Nanoparticles through Thermally Induced Seed Twinning |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Journal of the American Chemical Society |
Abbreviated Journal |
J Am Chem Soc |
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Volume |
139 |
Issue |
139 |
Pages |
107-110 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We show here that thermal treatment of small seeds results in extensive twinning and a subsequent drastic yield improvement (>85%) in the formation of pentatwinned nanoparticles, with pre-selected morphology (nanorods, bipyramids and decahedra) and aspect ratio. The “quality” of the seeds thus defines the yield of the obtained nanoparticles, which in the case of nanorods avoids the need for additives such as Ag+ ions. This modified seeded growth method also improves reproducibility, as the seeds can be stored for extended periods of time without compromising the quality of the final nanoparticles. Additionally, minor modification of the seeds with Pd allows their localization within the final particles, which opens new avenues toward mechanistic studies. All together, these results represent a paradigm shift in anisotropic gold nanoparticle synthesis. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000392036900025 |
Publication Date |
2016-12-29 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0002-7863 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
13.858 |
Times cited |
267 |
Open Access |
OpenAccess |
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Notes |
Financial support is acknowledged from the European Research Council through ERC Advanced Grant Plasmaquo and the ERC Starting Grant COLOURATOM. T.A. acknowledges financial support from the Research Foundation Flanders (FWO, Belgium) through a postdoctoral grant. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara |
Approved |
Most recent IF: 13.858 |
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Call Number |
EMAT @ emat @ c:irua:139018UA @ admin @ c:irua:139018 |
Serial |
4339 |
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| Permanent link to this record |
