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Author |
Cotte, M.; Genty-Vincent, A.; Janssens, K.; Susini, J. |
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Title |
Applications of synchrotron X-ray nano-probes in the field of cultural heritage |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Comptes rendus : physique |
Abbreviated Journal |
Cr Phys |
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Volume |
19 |
Issue |
7 |
Pages |
575-588 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Synchrotron-based techniques are increasingly used in the field of cultural heritage, and this review focuses notably on the application of nano-beams to access high-spatial-resolution information on fragments sampled in historical or model artworks. Depending on the targeted information, various nano-analytical techniques can be applied, providing both identification and localization of the various components. More precisely, nano-X-ray fluorescence probes elements, nano-X-ray diffraction identify crystalline phases, and nano X-ray absorption spectroscopy is sensitive to speciation. Furthermore, computed tomography-based techniques can provide useful information about the morphology and in particular the porosity of materials. (C) 2018 Academie des sciences. Published by Elsevier Masson SAS. |
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Wos |
000451631400006 |
Publication Date |
2018-08-13 |
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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 |
1631-0705; 1878-1535 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.048 |
Times cited |
3 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: 2.048 |
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Call Number  |
UA @ admin @ c:irua:156320 |
Serial |
5476 |
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Author |
Naberezhnyi, D.; Rumyantseva, M.; Filatova, D.; Batuk, M.; Hadermann, J.; Baranchikov, A.; Khmelevsky, N.; Aksenenko, A.; Konstantinova, E.; Gaskov, A. |
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Title |
Effects of Ag additive in low temperature CO detection with In2O3 based gas sensors |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Nanomaterials |
Abbreviated Journal |
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Volume |
8 |
Issue |
10 |
Pages |
801 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
Nanocomposites In2O3/Ag obtained by ultraviolet (UV) photoreduction and impregnation methods were studied as materials for CO sensors operating in the temperature range 25-250 degrees C. Nanocrystalline In2O3 and In2O3/Ag nanocomposites were characterized by X-ray diffraction (XRD), single-point Brunauer-Emmet-Teller (BET) method, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) with energy dispersive X-ray (EDX) mapping. The active surface sites were investigated using Fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance (EPR) spectroscopy and thermo-programmed reduction with hydrogen (TPR-H-2) method. Sensor measurements in the presence of 15 ppm CO demonstrated that UV treatment leads to a complete loss of In2O3 sensor sensitivity, while In2O3/Ag-UV nanocomposite synthesized by UV photoreduction demonstrates an increased sensor signal to CO at T < 200 degrees C. The observed high sensor response of the In2O3/Ag-UV nanocomposite at room temperature may be due to the realization of an additional mechanism of CO oxidation with participation of surface hydroxyl groups associated via hydrogen bonds. |
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Wos |
000451174100057 |
Publication Date |
2018-10-08 |
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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 |
2079-4991 |
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:156335 |
Serial |
7842 |
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Author |
Kosov, A.D.; Dubrinina, T.V.; Borisova, N.E.; Ivanov, A.V.; Drozdov, K.A.; Trashin, S.A.; De Wael, K.; Kotova, M.S.; Tomilova, L.G. |
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Title |
Novel phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements : optimized synthetic protocols and physicochemical properties |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
New journal of chemistry |
Abbreviated Journal |
New J Chem |
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Volume |
43 |
Issue |
7 |
Pages |
3153-3161 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Novel synthetic protocols based on both template and multi-step methods were developed for phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements (Y, Eu, Gd, Dy, Er and Lu). p-Hydroquinone was employed as a reaction medium and as a reducing agent in the process of porphyrazine macrocycle formation. Both thermal and microwave irradiation techniques were successfully applied for activation of the template macrocyclization process. An alternative multi-step approach involving the initial stage of free-base ligand formation was realized for the lutetium compound. The target complexes were identified by high-resolution mass spectrometry, infrared spectroscopy and nuclear magnetic resonance (NMR) spectroscopy. Electrochemical behavior in solution and UV-vis absorbance in solutions and films were studied as well. Shifts in the position of the Q band and oxidationreduction potentials in comparison with corresponding phthalocyanine analogues were noticed. Using the IR absorption spectra recorded in the temperature range of 170300 K, the position of the Fermi level of −4.7 ± 0.1 eV and a characteristic energy diagram were obtained for the erbium complex. |
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Wos |
000459944500035 |
Publication Date |
2019-01-23 |
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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 |
1144-0546 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
3.269 |
Times cited |
1 |
Open Access |
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Notes |
; We are grateful for main financial support from the Russian Foundation for Basic Research (Grant No. 16-33-60005 and 18-33-00519). Investigation of optical properties was supported by the Russian Science Foundation (Grant 17-13-01197). Electrochemical investigations were supported by ERA.Net RUS Plus Plasmon Electrolight and FWO funding (RFBR No. 18-53-76006 ERA). We also thank the Council under the President of the Russian Federation for State Support of Young Scientists and Leading Scientific Schools (Grants MK-3115.2018.3) and partial support from the framework of the State Assignment of 2019 (Theme 45.5 Creation of compounds with given physicochemical properties). Investigation of electrophysical properties was supported by the RFBR (Grant 16-07-00961). K. A. Drozdov and M. S. Kotova thank Prof. L. I. Ryabova for productive discussion of the electrophysical data. ; |
Approved |
Most recent IF: 3.269 |
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Call Number |
UA @ admin @ c:irua:156555 |
Serial |
5750 |
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Author |
Rivera-Julio, J.; Gonzalez-Garcia, A.; Gonzalez-Hernandez, R.; Lopez-Perez, W.; Peeters, F.M.; Hernandez-Nieves, A.D. |
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Title |
Vibrational properties of germanane and fluorinated germanene in the chair, boat, and zigzag-line configurations |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of physics : condensed matter |
Abbreviated Journal |
J Phys-Condens Mat |
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Volume |
31 |
Issue |
7 |
Pages |
075301 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The electronic and vibrational properties of germanane and fluorinated germanene are studied within density functional theory (DFT) and density functional perturbation theory frameworks. Different structural configurations of germanane and fluorinated germanene are investigated. The energy difference between the different configurations are consistently smaller than the energy of thermal fluctuations for all the analyzed DFT functionals LDA, GGA, and hybrid functionals, which implies that, in principle, it is possible to find these different configurations in different regions of the sample as minority phases or local defects. We calculate the Raman and infrared spectra for these configurations by using ab initio calculations and compare it with available experimental spectra for germanane. Our results show the presence of minority phases compatible with the configurations analyzed in this work. As these low energy configurations are metastable the present work shows that the synthesis of these energy competing phases is feasible by selectively changing the synthesis conditions, which is an opportunity to expand in this way the availability of new two-dimensional compounds. |
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Wos |
000454925400001 |
Publication Date |
2018-11-27 |
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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 |
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 |
9 |
Open Access |
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Notes |
; We acknowledge financial support from PICT-2016-1087 from ANPCyT, PIP 2014-2016 00402 from CONICET and the Argentina-Belgium colaboration program SECYT-FWO FW/ 14/04. This work was also supported by Universidad del Norte and Colciencias (Administrative Department of Science, Technology and Research of Colombia) under Convocatoria 712-Convocatoria para proyectos de investigacion en ciencias basicas ano 2015, Cod: 121571250192, Contrato 110-216. ; |
Approved |
Most recent IF: 2.649 |
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Call Number |
UA @ admin @ c:irua:156708 |
Serial |
5238 |
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Author |
Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G. |
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Title |
A systematic study of various 2D materials in the light of defect formation and oxidation |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
Phys Chem Chem Phys |
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Volume |
21 |
Issue |
3 |
Pages |
1089-1099 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
The thermodynamic aspects of various 2D materials are explored using Density Functional Theory (DFT). Various metal chalcogenides (MX2, M = metal, chalcogen X = S, Se, Te) are investigated with respect to their interaction and stability under different ambient conditions met in the integration process of a transistor device. Their interaction with high- dielectrics is also addressed, in order to assess their possible integration in Complementary Metal Oxide Semiconductor (CMOS) field effect transistors. 2D materials show promise for high performance nanoelectronic devices, but the presence of defects (vacancies, grain boundaries,...) can significantly impact their electronic properties. To assess the impact of defects, their enthalpies of formation and their signature levels in the density of states have been studied. We find, consistently with literature reports, that chalcogen vacancies are the most likely source of defects. It is shown that while pristine 2D materials are in general stable whenever set in contact with different ambient atmospheres, the presence of defective sites affects the electronic properties of the 2D materials to varying degrees. We observe that all the 2D materials studied in the present work show strong reactivity towards radical oxygen plasma treatments while reactivity towards other common gas phase chemical such as O-2 and H2O and groups present at the high- surface varies significantly between species. While energy band-gaps, effective masses and contact resistivities are key criteria in selection of 2D materials for scaled CMOS and tunneling based devices, the phase and ambient stabilities might also play a very important role in the development of reliable nanoelectronic applications. |
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Wos |
000456147000009 |
Publication Date |
2018-12-19 |
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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 |
1463-9076; 1463-9084 |
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 |
1 |
Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: 4.123 |
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Call Number |
UA @ admin @ c:irua:156715 |
Serial |
5267 |
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Author |
Das, S.; Rata, A.D.; Maznichenko, I., V; Agrestini, I.S.; Pippel, E.; Gauquelin, N.; Verbeeck, J.; Chen, K.; Valvidares, S.M.; Vasili, H.B.; Herrero-Martin, J.; Pellegrin, E.; Nenkov, K.; Herklotz, A.; Ernst, A.; Mertig, I.; Hu, Z.; Doerr, K. |
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Title |
Low-field switching of noncollinear spin texture at La0.7Sr0.3MnO3-SrRuO3interfaces |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
99 |
Issue |
2 |
Pages |
024416 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Interfaces of ferroic oxides can show complex magnetic textures which have strong impact on spintronics devices. This has been demonstrated recently for interfaces with insulating antiferromagnets such as BiFeO3. Here, noncollinear spin textures which can be switched in very low magnetic field are reported for conducting ferromagnetic bilayers of La0.7Sr0.3MnO3-SrRuO3 (LSMO-SRO). The magnetic order and switching are fundamentally different for bilayers coherently grown in reversed stacking sequence. The SRO top layer forms a persistent exchange spring which is antiferromagnetically coupled to LSMO and drives switching in low fields of a few milliteslas. Density functional theory reveals the crucial impact of the interface termination on the strength of Mn-Ru exchange coupling across the interface. The observation of an exchange spring agrees with ultrastrong coupling for the MnO2/SrO termination. Our results demonstrate low-field switching of noncollinear spin textures at an interface between conducting oxides, opening a pathway for manipulating and utilizing electron transport phenomena in controlled spin textures at oxide interfaces. |
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Wos |
000455821400005 |
Publication Date |
2019-01-15 |
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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 |
2469-9969; 2469-9950 |
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 |
19 |
Open Access |
OpenAccess |
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Notes |
; The research in Halle was supported by Deutsche Forschungsgemeinschaft (DFG), SFB 762 Functional Oxide Interfaces (Projects No. A9 and No. B1). K.C. benefited from support of the DFG (Project 600575). Discussions with M. Trassin, M. Ziese, H. M. Christen, E.-J. Guo, F. Grcondciel, M. Bibes, and H. N. Lee are gratefully acknowledged. N. G. and J. V. acknowledge funding under the GOA project “Solarpaint” of the University of Antwerp. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:156717 |
Serial |
5255 |
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Author |
Dharma-Wardana, M.W.C.; Neilson, D.; Peeters, F.M. |
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Title |
Correlation functions in electron-electron and electron-hole double quantum wells : temperature, density, and barrier-width dependence |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
99 |
Issue |
3 |
Pages |
035303 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The classical-map hypernetted-chain (CHNC) scheme, developed for treating fermion fluids at strong coupling and at finite temperatures, is applied to electron-electron and electron-hole double quantum wells. The pair-distribution functions and the local field factors needed in linear-response theory are determined for a range of temperatures, carrier densities, and barrier widths typical for experimental double-quantum-well systems in GaAs-GaAlAs. For electron-hole double quantum wells, a large enhancement in the pair-distribution functions is found for small carrier separations. The CHNC equations for electron-hole systems no longer hold at low densities where bound-state formation occurs. |
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Wos |
000455163800004 |
Publication Date |
2019-01-08 |
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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 |
2469-9969; 2469-9950 |
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 |
6 |
Open Access |
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Notes |
; This work was partially supported by the Flemish Science Foundation (FWO-Vl). M.W.C.D.-W. acknowledges with thanks the hospitality and stimulating atmosphere of the Condensed Matter Theory group at the University of Antwerp. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:156734 |
Serial |
5201 |
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Author |
Mohammed, M.; Verhulst, A.S.; Verreck, D.; Van de Put, M.L.; Magnus, W.; Sorée, B.; Groeseneken, G. |
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Title |
Phonon-assisted tunneling in direct-bandgap semiconductors |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of applied physics |
Abbreviated Journal |
J Appl Phys |
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Volume |
125 |
Issue |
1 |
Pages |
015701 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
In tunnel field-effect transistors, trap-assisted tunneling (TAT) is one of the probable causes for degraded subthreshold swing. The accurate quantum-mechanical (QM) assessment of TAT currents also requires a QM treatment of phonon-assisted tunneling (PAT) currents. Therefore, we present a multi-band PAT current formalism within the framework of the quantum transmitting boundary method. An envelope function approximation is used to construct the electron-phonon coupling terms corresponding to local Frohlich-based phonon-assisted inter-band tunneling in direct-bandgap III-V semiconductors. The PAT current density is studied in up to 100 nm long and 20 nm wide p-n diodes with the 2- and 15-band material description of our formalism. We observe an inefficient electron-phonon coupling across the tunneling junction. We further demonstrate the dependence of PAT currents on the device length, for our non-self-consistent formalism which neglects changes in the electron distribution function caused by the electron-phonon coupling. Finally, we discuss the differences in doping dependence between direct band-to-band tunneling and PAT current. Published under license by AIP Publishing. |
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Wos |
000455350200021 |
Publication Date |
2019-01-02 |
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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 |
2.068 |
Times cited |
2 |
Open Access |
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Notes |
; This work was supported by Imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 2.068 |
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Call Number |
UA @ admin @ c:irua:156735 |
Serial |
5224 |
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Author |
Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M. |
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Title |
Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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Volume |
6 |
Issue |
1 |
Pages |
015032 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers. |
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Place of Publication |
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Wos |
000454321100002 |
Publication Date |
2018-11-28 |
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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 |
2053-1583 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.937 |
Times cited |
23 |
Open Access |
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Notes |
; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:156776 |
Serial |
5207 |
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Author |
Kuo, C.-T.; Lin, S.-C.; Ghiringhelli, G.; Peng, Y.; De Luca, G.M.; Di Castro, D.; Betto, D.; Gehlmann, M.; Wijnands, T.; Huijben, M.; Meyer-Ilse, J.; Gullikson, E.; Kortright, J.B.; Vailionis, A.; Gauquelin, N.; Verbeeck, J.; Gerber, T.; Balestrino, G.; Brookes, N.B.; Braicovich, L.; Fadley, C.S. |
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Title |
Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic-ferromagnet interface through standing wave excitation |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
98 |
Issue |
23 |
Pages |
235146 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
We demonstrate that combining standing wave (SW) excitation with resonant inelastic x-ray scattering (RIXS) can lead to depth resolution and interface sensitivity for studying orbital and magnetic excitations in correlated oxide heterostructures. SW-RIXS has been applied to multilayer heterostructures consisting of a superconductor La1.85Sr0.15CuO4 (LSCO) and a half-metallic ferromagnet La0.67Sr0.33MnO3 (LSMO). Easily observable SW effects on the RIXS excitations were found in these LSCO/LSMO multilayers. In addition, we observe different depth distribution of the RIXS excitations. The magnetic excitations are found to arise from the LSCO/LSMO interfaces, and there is also a suggestion that one of the dd excitations comes from the interfaces. SW-RIXS measurements of correlated-oxide and other multilayer heterostructures should provide unique layer-resolved insights concerning their orbital and magnetic excitations, as well as a challenge for RIXS theory to specifically deal with interface effects. |
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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 |
000454160800004 |
Publication Date |
2018-12-21 |
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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 |
|
Series Issue |
|
Edition |
|
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
5 |
Open Access |
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| |
Notes |
J.V. and N.G. acknowledge ˝ funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ admin @ c:irua:156784 |
Serial |
5363 |
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| Permanent link to this record |
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Author |
Privat-Maldonado, A.; Gorbanev, Y.; O'Connell, D.; Vann, R.; Chechik, V.; van der Woude, M.W. |
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Title |
Nontarget biomolecules alter macromolecular changes induced by bactericidal low-temperature plasma |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
IEEE transactions on radiation and plasma medical sciences |
Abbreviated Journal |
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| |
Volume |
2 |
Issue |
2 |
Pages |
121-128 |
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Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
Low-temperature plasmas (LTPs) have a proven bactericidal activity governed by the generated reactive oxygen and nitrogen species (RONS) that target microbial cell components. However, RONS also interact with biomolecules in the environment. Here we assess the impact of these interactions upon exposure of liquid suspensions with variable organic content to an atmospheric-pressure dielectric barrier discharge plasma jet. Salmonella enterica serovar Typhimurium viability in the suspension was reduced in the absence [e. g., phosphate buffered saline (PBS)], but not in the presence of (high) organic content [Dulbecco's Modified Eagle's Medium (DMEM), DMEM supplemented with foetal calf serum, and Lysogeny Broth]. The reduced viability of LTP-treated bacteria in PBS correlated to a loss of membrane integrity, whereas double-strand DNA breaks could not be detected in treated single cells. The lack of bactericidal activity in solutions with high organic content correlated with a relative decrease of center dot OH and O-3/O-2(a(1)Delta g)/O, and an increase of H2O2 and NO2- in the plasma-treated solutions. These results indicate that the redox reactions of LTP-generated RONS with nontarget biomolecules resulted in a RONS composition with reduced bactericidal activity. Therefore, the chemical composition of the bacterial environment should be considered in the development of LTP for antimicrobial treatment, and may affect other biomedical applications as well. |
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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 |
000456148700007 |
Publication Date |
2017-10-11 |
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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 |
2469-7311; 2469-7303 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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| |
Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:156820 |
Serial |
8316 |
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| Permanent link to this record |
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Author |
Van Schoubroeck, S.; Springael, J.; Van Dael, M.; Malina, R.; Van Passel, S. |
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Title |
Sustainability indicators for biobased chemicals : a Delphi study using multi-criteria decision analysis |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Resources Conservation And Recycling |
Abbreviated Journal |
Resour Conserv Recy |
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| |
Volume |
144 |
Issue |
144 |
Pages |
198-208 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Biobased chemistry has gained interest and has the potential to tackle some of the sustainability challenges the chemical industry must endure. Sustainability impacts need to be evaluated and monitored to highlight the advantages and pitfalls of different biobased routes over the entire product life cycle. This study aims for expert consensus concerning indicators needed and preferred for sustainability analysis of biobased chemicals in Europe. Experts are consulted by means of a Delphi method with stakeholders selected from three core groups: the private, public and academic sector. Best-Worst Scaling (BWS) is performed to gather data on the prioritization of the sustainability indicators per respondent. Afterwards, Multi-Criteria Decision Analysis (MCDA) is used to develop a consensus ranking among the experts. The results show that GHG emissions, market potential and acceptance of biobased materials are deemed the most crucial indicators for respectively environmental, economic and social sustainability. Expert consensus is positive in all three sustainability domains, with the strongest consensus measured for environmental sustainability showing a median Kendalls τ of 0.63 (τ ranging from -1 to 1) and the weakest consensus found within social sustainability showing a median Kendalls τ of 0.50. Further research can apply the ranked indicators on specific case studies to evaluate the practicability of the defined indicator set. |
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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 |
000461534800021 |
Publication Date |
2019-02-01 |
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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 |
0921-3449 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.313 |
Times cited |
4 |
Open Access |
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| |
Notes |
; ; |
Approved |
Most recent IF: 3.313 |
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| |
Call Number |
UA @ admin @ c:irua:156929 |
Serial |
6255 |
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| Permanent link to this record |
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Author |
Moretti, M.; Van Passel, S.; Camposeo, S.; Pedrero, F.; Dogot, T.; Lebailly, P.; Vivaldi, G.A. |
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Title |
Modelling environmental impacts of treated municipal wastewater reuse for tree crops irrigation in the Mediterranean coastal region |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Science Of The Total Environment |
Abbreviated Journal |
Sci Total Environ |
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| |
Volume |
660 |
Issue |
660 |
Pages |
1513-1521 |
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Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
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Abstract |
Wastewater reuse provides valuable solutions to solve the societal challenges of decreasing availability and limiting access to secure water resources. The present study quantifies the environmental performance of nectarine orchards irrigation using treated municipal wastewater (TMW) and surface water using a unique dataset based on field experimental data. Climate change, toxicity (for human and freshwater), eutrophication (marine and freshwater) and acidification impacts were analysed using the impact assessment method suggested by the International Reference Life Cycle Data System (ILCD). The water footprint associated to the life cycles of each system has been estimated using the Available WAter REmaining (AWARE) method. Monte Carlo simulation was used to assess data uncertainty. The irrigation of nectarine orchards using TMW performs better than the irrigation using surface water for eutrophication impact categories. Compared with surface water resources, the potential impacts of TMW reuse in agriculture on climate change and toxicity are affected by the wastewater treatment phase (WWT). Only eutrophication and acidification burdens are generated by in-field substitution of surface water with TMW. Considering human and ecosystem water demand, the irrigation with TMW increases water consumption of 19.12 m3 per kg of nectarine produced. Whereas, it shows a positive contribution to water stress (−0.19 m3) if only human water demand is considered. This study provides important results that allow for a better understanding of the potential environmental consequences of TMW reuse in agriculture. It suggests that embracing the type of WWTs, the replacement of fertilizers, the effects on water scarcity and ecosystem quality might be useful to redefine water reuse regulations and increase public acceptance for the reuse of TMW in agriculture. Moreover, this study reveals the need for developing consensus and standardized guidance for life cycle analysis of water reuse 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 |
000457725700145 |
Publication Date |
2019-01-06 |
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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 |
0048-9697 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles |
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Impact Factor |
4.9 |
Times cited |
4 |
Open Access |
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Notes |
; The authors would like to thank the EU, MIUR and FNRS for funding, in the frame of the collaborative international Consortium DESERT financed under the ERA-NET WaterWorks2014 Cofunded Call. This ERA-NET is an integral part of the 2015 Joint Activities developed by the “Water Challenges for a Changing World Joint Programme Initiative (Water JPI)”. G.A. Vivaldi would like to thank also the Regione Puglia for the support from the “Fondo di Sviluppo e Coesione” 2007-2013 – APQ Ricerca Regione Puglia “Programma regionale a sostegno della specializzazione intelligente e della sostenibilita sociale ed ambientale – FutureInResearch”. ; |
Approved |
Most recent IF: 4.9 |
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| |
Call Number |
UA @ admin @ c:irua:156931 |
Serial |
6227 |
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| Permanent link to this record |
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Author |
Shi, P.; Liu, M.; Yu, X.; Gielis, J.; Ratkowsky, D.A. |
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Title |
Proportional relationship between leaf area and the product of leaf length and width of four types of special leaf shapes |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Forests (19994907) |
Abbreviated Journal |
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Volume |
10 |
Issue |
2 |
Pages |
178 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
The leaf area, as an important leaf functional trait, is thought to be related to leaf length and width. Our recent study showed that the Montgomery equation, which assumes that leaf area is proportional to the product of leaf length and width, applied to different leaf shapes, and the coefficient of proportionality (namely the Montgomery parameter) range from 1/2 to π/4. However, no relevant geometrical evidence has previously been provided to support the above findings. Here, four types of representative leaf shapes (the elliptical, sectorial, linear, and triangular shapes) were studied. We derived the range of the estimate of the Montgomery parameter for every type. For the elliptical and triangular leaf shapes, the estimates are π/4 and 1/2, respectively; for the linear leaf shape, especially for the plants of Poaceae that can be described by the simplified Gielis equation, the estimate ranges from 0.6795 to π/4; for the sectorial leaf shape, the estimate ranges from 1/2 to π/4. The estimates based on the observations of actual leaves support the above theoretical results. The results obtained here show that the coefficient of proportionality of leaf area versus the product of leaf length and width only varies in a small range, maintaining the allometric relationship for leaf area and thereby suggesting that the proportional relationship between leaf area and the product of leaf length and width broadly remains stable during leaf evolution. |
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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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Language |
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Wos |
000460744000102 |
Publication Date |
2019-02-20 |
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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 |
1999-4907 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:157200 |
Serial |
8427 |
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| Permanent link to this record |
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Author |
Mescia, L.; Chiapperino, M.A.; Bia, P.; Lamacchia, C.M.; Gielis, J.; Caratelli, D. |
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Title |
Design of electroporation process in irregularly shaped multicellular systems |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Electronics (Basel) |
Abbreviated Journal |
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Volume |
8 |
Issue |
1 |
Pages |
37 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Electroporation technique is widely used in biotechnology and medicine for the transport of various molecules through the membranes of biological cells. Different mathematical models of electroporation have been proposed in the literature to study pore formation in plasma and nuclear membranes. These studies are mainly based on models using a single isolated cell with a canonical shape. In this work, a spacetime (x,y,t) multiphysics model based on quasi-static Maxwells equations and nonlinear Smoluchowskis equation has been developed to investigate the electroporation phenomenon induced by pulsed electric field in multicellular systems having irregularly shape. The dielectric dispersion of the cell compartments such as nuclear and plasmatic membranes, cytoplasm, nucleoplasm and external medium have been incorporated into the numerical algorithm, too. Moreover, the irregular cell shapes have been modeled by using the Gielis transformations. |
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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 |
000457142800037 |
Publication Date |
2019-01-03 |
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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 |
2079-9292 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
|
Approved |
no |
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Call Number |
UA @ admin @ c:irua:157203 |
Serial |
7765 |
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| Permanent link to this record |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Carrier transport in two-dimensional topological insulator nanoribbons in the presence of vacancy defects |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
2D materials |
Abbreviated Journal |
2D Mater |
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| |
Volume |
6 |
Issue |
2 |
Pages |
025011 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using the non-equilibrium Green's function formalism, we study carrier transport through imperfect two-dimensional (2D) topological insulator (TI) ribbons. In particular, we investigate the effect of vacancy defects on the carrier transport in 2D TI ribbons with hexagonal lattice structure. To account for the random distribution of the vacancy defects, we present a statistical study of varying defect densities by stochastically sampling different defect configurations. We demonstrate that the topological edge states of TI ribbons are fairly robust against a high concentration (up to 2%) of defects. At very high defect densities, we observe an increased inter-edge interaction, mediated by the localisation of the edge states within the bulk region. This effect causes significant back-scattering of the, otherwise protected, edge-states at very high defect concentrations (>2%), resulting in a loss of conduction through the TI ribbon. We discuss how this coherent vacancy scattering can be used to our advantage for the development of TI-based transistors. We find that there is an optimal concentration of vacancies yielding an ON-OFF current ratio of up to two orders of magnitude. Finally, we investigate the importance of spin-orbit coupling on the robustness of the edge states in the TI ribbon and show that increased spin-orbit coupling could further increase the ON-OFF ratio. |
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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 |
000457856400002 |
Publication Date |
2019-01-22 |
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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 |
2053-1583 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
6.937 |
Times cited |
3 |
Open Access |
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| |
Notes |
; This material is based in part upon work supported by the National Science Foundation under Grant Number 1710066. The project or effort depicted was or is sponsored by the Department of Defense, Defense Threat Reduction Agency. The content of the information does not necessarily reflect the position or the policy of the federal government, and no official endorsement should be inferred. This work was supported by imec's Industrial Affiliation Program. ; |
Approved |
Most recent IF: 6.937 |
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Call Number |
UA @ admin @ c:irua:157464 |
Serial |
5198 |
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| Permanent link to this record |
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Author |
Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C. |
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Title |
Effects of silicon doping on strengthening adhesion at the interface of the hydroxyapatite-titanium biocomposite : a first-principles study |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Computational materials science |
Abbreviated Journal |
Comp Mater Sci |
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Volume |
159 |
Issue |
159 |
Pages |
228-234 |
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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 we employ first-principles calculations to investigate the effect of substitutional Si doping in the amorphous calcium-phosphate (a-HAP) structure on the work of adhesion, integral charge transfer, charge density difference and theoretical tensile strengths between an a-HAP coating and amorphous titanium dioxide (a-TiO2) substrate systemically. Our calculations demonstrate that substitution of a P atom by a Si atom in a-HAP (a-Si-HAP) with the creation of OH-vacancies as charge compensation results in a significant increase of the bonding strength of the coating to the substrate. The work of adhesion of the optimized Si-doped interfaces reaches a value of up to -2.52 J m(-2), which is significantly higher than for the stoichiometric a-HAP/a-TiO2. Charge density difference analysis indicates that the dominant interactions at the interface have significant covalent character, and in particular two Ti-O and three Ca-O bonds are formed for a-Si-HAP/a-TiO2 and one Ti-O and three Ca-O bonds for a-HAP/a-TiO2. From the stress-strain curve, the Young's modulus of a-Si-HAP/a-TiO2 is calculated to be about 25% higher than that of the a-HAP/a-TiO2, and the yielding stress is about 2 times greater than that of the undoped model. Our calculations therefore demonstrate that the presence of Si in the a-HAP structure strongly alters not only the bioactivity and resorption rates, but also the mechanical properties of the a-HAP/a-TiO2 interface. The results presented here provide an important theoretical insight into the nature of the chemical bonding at the a-HAP/a-TiO2 interface, and are particularly significant for the practical medical applications of HAP-based biomaterials. |
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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 |
000457856900023 |
Publication Date |
2018-12-18 |
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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 |
|
Series Issue |
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Edition |
|
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| |
ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
2.292 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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Notes |
|
Approved |
Most recent IF: 2.292 |
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Call Number |
UA @ admin @ c:irua:157480 |
Serial |
5272 |
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| Permanent link to this record |
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Author |
Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B. |
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Title |
Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
3 |
Issue |
2 |
Pages |
024001 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially) diffusive edge scattering to ribbons with large width variations and nanoribbons with atomistic edge roughness. For the latter, we introduce an approach based on pseudopotentials, allowing for an atomistic treatment of the band structure and the scattering potential, on the self-consistent solution of the Boltzmann transport equation within the relaxation-time approximation and taking into account the edge-roughness properties and statistics. The resulting resistivity depends strongly on the ribbon orientation, with zigzag (armchair) ribbons showing the smallest (largest) resistivity and intermediate ribbon orientations exhibiting intermediate resistivity values. The results also show clear resistivity peaks, corresponding to peaks in the density of states due to the confinement-induced subband quantization, except for armchair-edge ribbons that show a very strong width dependence because of their claromatic behavior. Furthermore, we identify a strong interplay between the relative position of the two valleys of graphene along the transport direction, the correlation profile of the atomistic edge roughness, and the chiral valley modes, leading to a peculiar strongly suppressed resistivity regime, most pronounced for the zigzag orientation. |
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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 |
000458161800001 |
Publication Date |
2019-02-06 |
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Series Editor |
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Series Title |
|
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 |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
4 |
Open Access |
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Notes |
; We acknowledge the Research Foundation – Flanders (FWO) for supporting K.M.'s research visit at the University of Texas at Dallas, as well as the support by the National Research Fund Luxembourg (FNR) with ATTRACT Grant No. 7556175. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:157499 |
Serial |
5235 |
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| Permanent link to this record |
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Author |
De Valck, J.; Beames, A.; Liekens, I.; Bettens, M.; Seuntjens, P.; Broekx, S. |
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Title |
Valuing urban ecosystem services in sustainable brownfield redevelopment |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Ecosystem services |
Abbreviated Journal |
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Volume |
35 |
Issue |
|
Pages |
139-149 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Urban environments provide opportunities for greater resource efficiency and the fostering of urban ecosystems. Brownfield areas are a typical example of underused land resources. Brownfield redevelopment projects that include green infrastructure allow for further ecosystems to be accommodated in urban environments. Green infrastructure also deliver important urban ecosystem services (UES) to local residents, which can greatly contribute to improving quality of life in cities. In this case study, we quantify and assess the economic value of five UES for a brownfield redevelopment project in Antwerp, Belgium. The assessment is carried out using the “Nature Value Explorer” modelling tool. The case includes three types of green infrastructure (green corridor, infiltration gullies and green roofs) primarily intended to connect nature reserves on the urban periphery and to avoid surface runoff. The green infrastructure also provides air filtration, climate regulation, carbon sequestration and recreation ecosystem services. The value of recreation far exceeds other values, including the value of avoided runoff. The case study raises crucial questions as to whether existing UES valuation approaches adequately account for the range of UES provided and whether such approaches can be improved to achieve more accurate and reliable value estimates in future analyses. |
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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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Wos |
000457119300016 |
Publication Date |
2018-12-18 |
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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 |
2212-0416 |
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:157539 |
Serial |
8733 |
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| Permanent link to this record |
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Author |
Wang, W.; Van Duppen, B.; Peeters, F.M. |
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Title |
Intense-terahertz-laser-modulated magnetopolaron effect on shallow-donor states in the presence of magnetic field in the Voigt configuration |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
99 |
Issue |
1 |
Pages |
014114 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
The laser-modulated magnetopolaron effect on shallow donors in semiconductors is investigated in the presence of a magnetic field in the Voigt configuration. A nonperturbative approach is used to describe the electron-photon interaction by including the radiation field in an exact way via a laser-dressed interaction potential. Through a variational approach we evaluate the donor binding energy. We find that the interaction strength of the laser-dressed Coulomb potential in the z direction cannot only be enhanced but also weakened by the radiation field, while that in the x-y plane is only weakened. In this way, the binding energy of the states with odd z parity, like 2p(z) can be decreased or increased with respect to its static binding energy by the radiation field, while that of the other states can be only decreased. Furthermore, all binding energies become insensitive to the magnetic field if the radiation field is strong. The magnetopolaron effect on these energies is studied within second-order time-dependent perturbation theory. In the nonresonant region, a laser-modulated magnetopolaron correction, including the effect of single-photon processes, is observed. In the resonant region, a laser-modulated magnetopolaron effect, accompanied by the emission and absorption of a single photon, is found. Moreover, the 1s -> 2p(+) transition, accompanied by the emission of a single photon, is tuned by the radiation field into resonance with the longitudinal-optical phonon branch. This is electrically analogous to the magnetopolaron effect, and therefore we name it the dynamical magnetopolaron effect. Finally, by changing the frequency of the radiation field, these interesting effects can be tuned to be far away from the reststrahlen band and, therefore, can be detected experimentally. This in turn provides a direct measure of the electron-phonon interaction. |
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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 |
000457057500001 |
Publication Date |
2019-01-29 |
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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 |
|
Edition |
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| |
ISSN |
2469-9969; 2469-9950 |
ISBN |
|
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 |
; This work was supported by National Natural Science Foundation of China (Grants No. 11404214, No. 11455015, and No. 61504016) and the China Scholarship Council (CSC), and Science and Technology Research Foundation of Jiangxi Provincial Education Department (Grants No. GJJ161062 and No. GJJ180868). B.V.D. was supported by the Research Foundation – Flanders (FWO-Vl) through a postdoctoral fellowship. ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ admin @ c:irua:157555 |
Serial |
5218 |
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| Permanent link to this record |
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Author |
Tan, X.; McCabe, E.E.; Orlandi, F.; Manuel, P.; Batuk, M.; Hadermann, J.; Deng, Z.; Jin, C.; Nowik, I.; Herber, R.; Segre, C.U.; Liu, S.; Croft, M.; Kang, C.-J.; Lapidus, S.; Frank, C.E.; Padmanabhan, H.; Gopalan, V.; Wu, M.; Li, M.-R.; Kotliar, G.; Walker, D.; Greenblatt, M. |
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Title |
MnFe0.5Ru0.5O3 : an above-room-temperature antiferromagnetic semiconductor |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Journal of materials chemistry C : materials for optical and electronic devices |
Abbreviated Journal |
J Mater Chem C |
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| |
Volume |
7 |
Issue |
3 |
Pages |
509-522 |
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| |
Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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| |
Abstract |
A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is discussed. |
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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 |
000458780300004 |
Publication Date |
2018-11-27 |
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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 |
2050-7526; 2050-7534 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
5.256 |
Times cited |
1 |
Open Access |
Not_Open_Access |
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| |
Notes |
; M. G. thanks the NSF-DMR-1507252 grant of the United States. X. T. was supported by the “Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy'' under DOE Grant No. DE-FOA-0001276. G. K. and C. J. K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. EEM is grateful to the Leverhulme Trust (RPG-2017-362). M. R. Li and M. X. Wu are supported by the ”One Thousand Youth Talents'' Program of China. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Part of this research used the ISS, 8-ID and TES, 8-BM beamlines at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Without the valuable aid/support of the NSLS-II staff scientists Eli Stavitski, Klaus Attenkofer, and Paul Northrup this phase of the work could not have been performed. The work at IOPCAS was supported by NSF & MOST of China through research projects. H. R. and V. G. acknowledge NSF-MRSEC Center for Nanoscale Science at Penn State through the grant number DMR-1420620. The authors would like to thank Ms Jean Hanley at Lamont-Doherty Earth Observatory in Columbia University for making the high-pressure assemblies. The authors acknowledge the science and technology facility council (STFC) UK for the provision of neutron beam time. The authors would like to thank Daniel Nye for help on the Rigaku SmartLab X-ray diffractometer instrument in the Materials Characterization Laboratory at the ISIS Neutron and Muon Source. ; |
Approved |
Most recent IF: 5.256 |
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| |
Call Number |
UA @ admin @ c:irua:157564 |
Serial |
5264 |
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| Permanent link to this record |
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Author |
Alexander, C.T.; Abakumov, A.M.; Forslund, R.P.; Johnston, K.P.; Stevenson, K.J. |
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Title |
Role of the carbon support on the oxygen reduction and evolution activities in LaNiO3 composite electrodes in alkaline solution |
Type |
A1 Journal article |
| |
Year |
2018 |
Publication |
ACS applied energy materials |
Abbreviated Journal |
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| |
Volume |
1 |
Issue |
4 |
Pages |
1549-1558 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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Abstract |
Metal-air batteries and fuel cells show a great deal of promise in advancing low-cost, high-energy-density charge storage solutions for sustainable energy applications. To improve the activities and stabilities of electrocatalysts for the critical oxygen reduction and evolution reactions (ORR and OER, respectively), a greater understanding is needed of the catalyst/carbon interactions and carbon stability. Herein, we report how LaNiO3 (LNO) supported on nitrogen-doped carbon nanotubes (N-CNT) made from a high-yield synthesis lowers the overpotential for both the OER and ORR markedly to enable a low bifunctional window of 0.81 V at only a 51 mu g cm(-2) mass loading. Furthermore, the addition of LNO to the N-CNTs improves the galvanostatic stability for the OER by almost 2 orders of magnitude. The nanoscale geometries of the perovskites and the CNTs enhance the number of metal-support and charge transfer interactions and thus the activity. We use rotating ring disk electrodes (RRDEs) combined with Tafel slope analysis and ICP-OES to quantitatively separate current contributions from the OER, carbon oxidation, and even anodic iron leaching from carbon nanotubes. |
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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 |
000458705400020 |
Publication Date |
2018-03-28 |
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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 |
2574-0962 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
|
Times cited |
|
Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:157642 |
Serial |
8487 |
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| Permanent link to this record |
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Author |
Van Hal, M.; Verbruggen, S.W.; Yang, X.-Y.; Lenaerts, S.; Tytgat, T. |
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Title |
Image analysis and in situ FTIR as complementary detection tools for photocatalytic soot oxidation |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Chemical engineering journal |
Abbreviated Journal |
Chem Eng J |
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Volume |
367 |
Issue |
367 |
Pages |
269-277 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Air pollution, especially particulate matter (PM), is an increasingly urgent problem in urban environments, causing both short and long-term health problems, climate interference and aesthetical problems due to building fouling. Photocatalysis has been shown to be a possible solution to that end. In this work two complementary detection methods for photocatalytic soot oxidation are studied and their advantages and disadvantages are discussed. First, a colour-based digital image analysis method is drastically improved towards an accurate, detailed and straightforward detection tool, that enables simultaneous measurement of the degradation of different grades of soot fouling (for instance a shallow soot haze versus condensed soot deposits). In the next part, a second soot oxidation detection method is presented based on in situ FTIR spectroscopy. This method has the additional advantage of providing more insight into the photocatalytic soot degradation process by monitoring both gaseous and adsorbed intermediates as well as reaction products while the reactions are ongoing. As an illustration, the proposed detection strategies were applied on four different commercially available and synthesized photocatalytic materials. The digital image analysis showed that P25 (Evonik) is the fastest photocatalytic soot degrader of all studied materials for both a uniform soot haze as well as concentrated soot spots. Application of the in situ method showed that for all studied materials adsorbed formate-related surface species were formed and that commercially available ZnO nanopowder has the highest specificity towards complete mineralization into CO2. With this we aim to provide a set of complementary experimental tools for the convenient, reliable, realistic and standardised detection of photocatalytic soot degradation. |
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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 |
000461380400028 |
Publication Date |
2019-02-23 |
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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 |
1385-8947; 1873-3212 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
6.216 |
Times cited |
1 |
Open Access |
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Notes |
; M.V.H. acknowledges the Research Foundation-Flanders (FWO) for a doctoral fellowship. M.V.H., S.W.V., S.L. and X-Y.Y. thank the FWO and the National Natural Science Foundation of China (NSFC) for funding an international collaboration project. Mr. M. Minjauw is greatly thanked for his help in the AFM measurements. ; |
Approved |
Most recent IF: 6.216 |
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Call Number |
UA @ admin @ c:irua:157789 |
Serial |
5958 |
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Author |
Vanderkerckhove, T.G.L.; Kerckhof, F.-M.; De Mulder, C.; Vlaeminck, S.E.; Boon, N. |
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Title |
Determining stoichiometry and kinetics of two thermophilic nitrifying communities as a crucial step in the development of thermophilic nitrogen removal |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Water research |
Abbreviated Journal |
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Volume |
156 |
Issue |
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Pages |
34-45 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Nitrification and denitrification, the key biological processes for thermophilic nitrogen removal, have separately been established in bioreactors at 50 °C. A well-characterized set of kinetic parameters is essential to integrate these processes while safeguarding the autotrophs performing nitrification. Knowledge on thermophilic nitrifying kinetics is restricted to isolated or highly enriched batch cultures, which do not represent bioreactor conditions. This study characterized the stoichiometry and kinetics of two thermophilic (50 °C) nitrifying communities. The most abundant ammonia oxidizing archaea (AOA) were related to the Nitrososphaera genus, clustering relatively far from known species Nitrososphaera gargensis (95.5% 16S rRNA gene sequence identity). The most abundant nitrite oxidizing bacteria (NOB) were related to Nitrospira calida (97% 16S rRNA gene sequence identity). The nitrification biomass yield was 0.200.24 g VSS g−1 N, resulting mainly from a high AOA yield (0.160.20 g VSS g−1 N), which was reflected in a high AOA abundance in the community (5776%) compared to NOB (511%). Batch-wise determination of decay rates (AOA: 0.230.29 d−1; NOB: 0.320.43 d−1) rendered an overestimation compared to in situ estimations of overall decay rate (0.0260.078 d−1). Possibly, the inactivation rate rather than the actual decay rate was determined in batch experiments. Maximum growth rates of AOA and NOB were 0.120.15 d−1 and 0.130.33 d−1 respectively. NOB were susceptible to nitrite, opening up opportunities for shortcut nitrogen removal. However, NOB had a similar growth rate and oxygen affinity (0.150.55 mg O2 L−1) as AOA and were resilient towards free ammonia (IC50 > 16 mg NH3-N L−1). This might complicate NOB outselection using common practices to establish shortcut nitrogen removal (SRT control; aeration control; free ammonia shocks). Overall, the obtained insights can assist in integrating thermophilic conversions and facilitate single-sludge nitrification/denitrification. |
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Corporate Author |
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Place of Publication |
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Language |
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Wos |
000466618400004 |
Publication Date |
2019-03-14 |
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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 |
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:158226 |
Serial |
7798 |
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Author |
Ramakers, M. |
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Title |
Using a gliding arc plasmatron for CO2 conversion : the future in industry? |
Type |
Doctoral thesis |
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Year |
2019 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
235 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
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Corporate Author |
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Place of Publication |
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Wos |
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Publication Date |
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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 |
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ISBN |
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Additional Links |
UA library record; |
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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 |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:158254 |
Serial |
5282 |
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| Permanent link to this record |
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Author |
Wang, W.; Li, L.; Kong, X.; Van Duppen, B.; Peeters, F.M. |
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Title |
T4,4,4-graphyne : a 2D carbon allotrope with an intrinsic direct bandgap |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Solid state communications |
Abbreviated Journal |
Solid State Commun |
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Volume |
293 |
Issue |
293 |
Pages |
23-27 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
A novel two-dimensional (2D) structurally stable carbon allotrope is proposed using first-principles calculations, which is a promising material for water purification and for electronic devices due to its unique porous structure and electronic properties. Rectangular and hexagonal rings are connected with acetylenic linkages, forming a nanoporous structure with a pore size of 6.41 angstrom, which is known as T-4,T-4,T-4-graphyne. This 2D sheet exhibits a direct bandgap of 0.63 eV at the M point, which originates from the p(z)( )atomic orbitals of carbon atoms as confirmed by a tight-binding model. Importantly, T-4,T-4,T-4-graphyne is found to be energetically more preferable than the experimentally realized beta-graphdiyne, it is dynamically stable and can withstand temperatures up to 1500 K. |
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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 |
000460909600005 |
Publication Date |
2019-02-10 |
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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 |
0038-1098 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
1.554 |
Times cited |
17 |
Open Access |
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Notes |
; This work was supported by National Natural Science Foundation of China (Grant Nos. 11404214 and 11455015), the China Scholarship Council (CSC), the Science and Technology Research Foundation of Jiangxi Provincial Education Department (Grant Nos. GJJ180868 and GJJ161062) the Fonds Wetenschappelijk Onderzoek (FWO-V1), and the FLAG-ERA project TRANS2DTMD. BVD was supported by the Research Foundation – Flanders (FWO-V1) through a postdoctoral fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government department EWI. ; |
Approved |
Most recent IF: 1.554 |
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Call Number |
UA @ admin @ c:irua:158503 |
Serial |
5234 |
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Author |
Neek-Amal, M.; Rashidi, R.; Nair, R.R.; Neilson, D.; Peeters, F.M. |
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Title |
Electric-field-induced emergent electrical connectivity in graphene oxide |
Type |
A1 Journal article |
| |
Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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| |
Volume |
99 |
Issue |
11 |
Pages |
115425 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Understanding the appearance of local electrical connectivity in liquid filled layered graphene oxide subjected to an external electric field is important to design electrically controlled smart permeable devices and also to gain insight into the physics behind electrical effects on confined water permeation. Motivated by recent experiments [K. G. Zhou et al. Nature (London) 559, 236 (2018)], we introduce a new model with random percolating paths for electrical connectivity in micron thick water filled layered graphene oxide, which mimics parallel resistors connected across the top and bottom electrodes. We find that a strong nonuniform radial electric field of the order similar to 10-50 mV/nm can be induced between layers depending on the current flow through the formed conducting paths. The maxima of the induced fields are not necessarily close to the electrodes and may be localized in the middle region of the layered material. The emergence of electrical connectivity and the associated electrical effects have a strong influence on the surrounding fluid in terms of ionization and wetting which subsequently determines the permeation properties. |
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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 |
000461960100001 |
Publication Date |
2019-03-19 |
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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 |
2469-9969; 2469-9950 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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| |
Impact Factor |
3.836 |
Times cited |
3 |
Open Access |
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Notes |
; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; |
Approved |
Most recent IF: 3.836 |
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| |
Call Number |
UA @ admin @ c:irua:158534 |
Serial |
5206 |
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| Permanent link to this record |
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Author |
Aslani, Z.; Sisakht, E.T.; Fazileh, F.; Ghorbanfekr-Kalashami, H.; Peeters, F.M. |
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Title |
Conductance fluctuations of monolayer GeSnH2$ in the topological phase using a low-energy effective tight-binding Hamiltonian |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review B |
Abbreviated Journal |
Phys Rev B |
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Volume |
99 |
Issue |
11 |
Pages |
115421 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
An effective tight-binding (TB) Hamiltonian for monolayer GeSnH2 is constructed which has an inversion-asymmetric honeycomb structure. The low-energy band structure of our TB model agrees very well with previous ab initio calculations even under biaxial tensile strain. Our model predicts a phase transition at 7.5% biaxial tensile strain in agreement with DFT calculations. Upon 8.5% strain the system exhibits a band gap of 134 meV, suitable for room temperature applications. It is shown that an external applied magnetic field produces a special phase which is a combination of the quantum Hall (QH) and quantum spin Hall (QSH) phases; and at a critical magnetic field strength the QSH phase completely disappears. The topological nature of the phase transition is confirmed from: (1) the calculation of the Z(2) topological invariant, and (2) quantum transport properties of disordered GeSnH2 nanoribbons which allows us to determine the universality class of the conductance fluctuations. The application of an external applied magnetic field reduces the conductance fluctuations by a factor of root 2. |
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Wos |
000461958900006 |
Publication Date |
2019-03-15 |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
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 |
3 |
Open Access |
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Notes |
; This work was supported by the FLAG-ERA project TRANS-2D-TMD. ; |
Approved |
Most recent IF: 3.836 |
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Call Number |
UA @ admin @ c:irua:158538 |
Serial |
5199 |
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Author |
Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Batuk, M.; Hadermann, J.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D. |
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Title |
Effect of zinc oxide modification by indium oxide on microstructure, adsorbed surface species, and sensitivity to CO |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Frontiers in materials |
Abbreviated Journal |
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Volume |
6 |
Issue |
6 |
Pages |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) |
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Abstract |
Additives in semiconductor metal oxides are commonly used to improve sensing behavior of gas sensors. Due to complicated effects of additives on the materials microstructure, adsorption sites and reactivity to target gases the sensing mechanism with modified metal oxides is a matter of thorough research. Herein, we establish the promoting effect of nanocrystalline zinc oxide modification by 1-7 at.% of indium on the sensitivity to CO gas due to improved nanostructure dispersion and concentration of active sites. The sensing materials were synthesized via an aqueous coprecipitation route. Materials composition, particle size and BET area were evaluated using X-ray diffraction, nitrogen adsorption isotherms, high-resolution electron microscopy techniques and EDX-mapping. Surface species of chemisorbed oxygen, OH-groups, and acid sites were characterized by probe molecule techniques and infrared spectroscopy. It was found that particle size of zinc oxide decreased and the BET area increased with the amount of indium oxide. The additive was observed as amorphous indium oxide segregated on agglomerated ZnO nanocrystals. The measured concentration of surface species was higher on In2O3-modified zinc oxide. With the increase of indium oxide content, the sensor response of ZnO/In2O3 to CO was improved. Using in situ infrared spectroscopy, it was shown that oxidation of CO molecules was enhanced on the modified zinc oxide surface. The effect of modifier was attributed to promotion of surface OH-groups and enhancement of CO oxidation on the segregated indium ions, as suggested by DFT in previous work. |
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Wos |
000461540600001 |
Publication Date |
2019-03-15 |
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Edition |
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ISSN |
2296-8016 |
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 |
11 |
Open Access |
OpenAccess |
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Notes |
; Research was supported by the grant from Russian Science Foundation (project No. 18-73-00071). ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:158540 |
Serial |
5205 |
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Author |
Gan, Y.; Christensen, D.V.; Zhang, Y.; Zhang, H.; Krishnan, D.; Zhong, Z.; Niu, W.; Carrad, D.J.; Norrman, K.; von Soosten, M.; Jespersen, T.S.; Shen, B.; Gauquelin, N.; Verbeeck, J.; Sun, J.; Pryds, N.; Chen, Y. |
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Title |
Diluted oxide interfaces with tunable ground states |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Advanced materials |
Abbreviated Journal |
Adv Mater |
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Volume |
31 |
Issue |
10 |
Pages |
1805970 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
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Abstract |
The metallic interface between two oxide insulators, such as LaAlO3/SrTiO3 (LAO/STO), provides new opportunities for electronics and spintronics. However, due to the presence of multiple orbital populations, tailoring the interfacial properties such as the ground state and metal-insulator transitions remains challenging. Here, an unforeseen tunability of the phase diagram of LAO/STO is reported by alloying LAO with a ferromagnetic LaMnO3 insulator without forming lattice disorder and at the same time without changing the polarity of the system. By increasing the Mn-doping level, x, of LaAl1-xMnxO3/STO (0 <= x <= 1), the interface undergoes a Lifshitz transition at x = 0.225 across a critical carrier density of n(c) = 2.8 x 10(13) cm(-2), where a peak T-SC approximate to 255 mK of superconducting transition temperature is observed. Moreover, the LaAl1-xMnxO3 turns ferromagnetic at x >= 0.25. Remarkably, at x = 0.3, where the metallic interface is populated by only d(xy) electrons and just before it becomes insulating, a same device with both signatures of superconductivity and clear anomalous Hall effect (7.6 x 10(12) cm(-2) < n(s) <= 1.1 x 10(13) cm(-2)) is achieved reproducibly. This provides a unique and effective way to tailor oxide interfaces for designing on-demand electronic and spintronic devices. |
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Wos |
000460329300004 |
Publication Date |
2019-01-14 |
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ISSN |
0935-9648 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
19.791 |
Times cited |
31 |
Open Access |
Not_Open_Access |
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Notes |
; The authors thank the technical help from J. Geyti. J.R.S. acknowledges the support of the National Basic Research of China (2016YFA0300701, 2018YFA0305704), the National Natural Science Foundation of China (11520101002), and the Key Program of the Chinese Academy of Sciences. N.G., D.K., and J.V. acknowledge funding from the Geconcentreerde Onderzoekacties (GOA) project “Solarpaint” of the University of Antwerp, Belgium. ; |
Approved |
Most recent IF: 19.791 |
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Call Number |
UA @ admin @ c:irua:158553 |
Serial |
5245 |
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| Permanent link to this record |
