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Author Grynberg, M.; Huant, S.; Martinez, G.; Kossut, J.; Wojtowicz, T.; Karczewski, G.; Shi, J.M.; Peeters, F.M.; Devreese, J.T.
  Title Magneto-polaron effect on shallow indium donors in CdTe Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 54 Issue Pages 1467-1470
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos A1996UZ86100013 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.736 Times cited 33 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:15793 Serial 1910
Permanent link to this record
 

 
Author Schweigert, I.V.; Schweigert, V.A.; Peeters, F.M.
  Title Properties of two-dimensional Coulomb clusters confined in a ring Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 54 Issue Pages 10827-10834
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos A1996VT67400087 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.736 Times cited 27 Open Access
  Notes Approved CHEMISTRY, PHYSICAL 77/144 Q3 # MATHEMATICS, INTERDISCIPLINARY 19/101 Q1 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 17/35 Q2 #
  Call Number UA @ lucian @ c:irua:15791 Serial 2730
Permanent link to this record
 

 
Author Farias, G.A.; da Costa, W.B.; Peeters, F.M.
  Title Acoustical polarons and bipolarons in two dimensions Type A1 Journal article
  Year 1996 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 54 Issue Pages 12835-12840
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos A1996VT68200039 Publication Date 2002-07-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.736 Times cited 30 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:15790 Serial 54
Permanent link to this record
 

 
Author Hai, G.-Q.; Studart, N.; Peeters, F.M.; Koenraad, P.M.; Wolter, J.H.
  Title Intersubband-coupling and screening effects on the electron transport in a quasi-two-dimensional δ-doped semiconductor system Type A1 Journal article
  Year 1996 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 80 Issue Pages 5809-5814
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The effects due to intersubband coupling and screening on the ionized impurity scattering are studied for a quasi-two-dimensional electron system in delta-doped semiconductors. We found that intersubband coupling plays an essential role in describing the screening properties and the effect of ionized impurity scattering on the mobility in a multisubband system. At the onset of the occupation of a higher subband, the screening due to the intersubband coupling leads to a reduction of the small angle scattering rate in the lower subband. We showed that such an effect is significant in a delta-doped quantum well and results in a pronounced increase of the quantum mobility at the onset of the occupation of a higher subband. (C) 1996 American Institute of Physics.
  Address
  Corporate Author Thesis
  Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
  Language Wos A1996VU98700039 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 2.183 Times cited 40 Open Access
  Notes Approved no
  Call Number UA @ lucian @ c:irua:15789 Serial 1712
Permanent link to this record
 

 
Author Farias, G.A.; Peeters, F.M.
  Title Structural transitions in a finite classical two-dimensional system Type A1 Journal article
  Year 1996 Publication Solid state communications Abbreviated Journal Solid State Commun
  Volume 100 Issue Pages 711-715
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos A1996VU47000008 Publication Date 2002-07-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0038-1098; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 1.897 Times cited 25 Open Access
  Notes Approved
  Call Number UA @ lucian @ c:irua:15788 Serial 3269
Permanent link to this record
 

 
Author Van Hal, M.; Verbruggen, S.W.; Yang, X.-Y.; Lenaerts, S.; Tytgat, T.
  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
  Volume 367 Issue 367 Pages 269-277
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000461380400028 Publication Date 2019-02-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1385-8947; 1873-3212 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 6.216 Times cited 1 Open Access
  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
  Call Number UA @ admin @ c:irua:157789 Serial 5958
Permanent link to this record
 

 
Author Alexander, C.T.; Abakumov, A.M.; Forslund, R.P.; Johnston, K.P.; Stevenson, K.J.
  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
  Volume 1 Issue 4 Pages 1549-1558
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000458705400020 Publication Date 2018-03-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2574-0962 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:157642 Serial 8487
Permanent link to this record
 

 
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.
  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
  Volume 7 Issue 3 Pages 509-522
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000458780300004 Publication Date 2018-11-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2050-7526; 2050-7534 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 5.256 Times cited 1 Open Access Not_Open_Access
  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
  Call Number UA @ admin @ c:irua:157564 Serial 5264
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Author Wang, W.; Van Duppen, B.; Peeters, F.M.
  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
  Volume 99 Issue 1 Pages 014114
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000457057500001 Publication Date 2019-01-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 7 Open Access
  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
  Call Number UA @ admin @ c:irua:157555 Serial 5218
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Author Charalampopoulou, E.; Delville, R.; Verwerft, M.; Lambrinou, K.; Schryvers, D.
  Title Transmission electron microscopy study of complex oxide scales on DIN 1.4970 steel exposed to liquid Pb-Bi eutectic Type A1 Journal article
  Year 2019 Publication Corrosion science Abbreviated Journal Corrosion Science
  Volume 147 Issue Pages 22-31
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The deployment of Gen-IV lead-cooled fast reactors requires a good compatibility between the selected structural/cladding steels and the inherently corrosive heavy liquid metal coolant. An effective liquid metal corrosion mitigation strategy involves the in-situ steel passivation in contact with the oxygen-containing Pb-alloy coolant. Transmission electron microscopy was used in this work to study the multi-layered oxide scales forming on an austenitic stainless steel fuel cladding exposed to oxygen-containing (CO ≈ 10−6 mass%) static liquid leadbismuth eutectic (LBE) for 1000 h between 400 and 500 °C. The oxide scale constituents were analyzed, including the intertwined phases comprising the innermost biphasic layer.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000456902100003 Publication Date 2018-10-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0010938X ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 5 Open Access OpenAccess
  Notes The authors would like to thank J. Joris for the technical support during corrosion testing and J. Lim for the manufacturing and calibration of the oxygen sensors and oxygen pumps used in this work. E. Charalampopoulou personally thanks H. Heidari, S. Pourbabak, A. Orekhov (EMAT) and N. Cautaerts (EMAT, SCK•CEN), for their valuable help with the training of the FEI Tecnai Osiris S/TEM and Jeol 3000 S/ TEM, respectively, as well as S. Van den Broeck (EMAT), J. Pakarinen (SCK•CEN) and W. Van Renterghem (SCK•CEN) for FIB sample preparation. Moreover, the authors gratefully acknowledge the funding provided in the framework of the ongoing development of the MYRRHA irradiation facility. The research leading to these results falls within the framework of the European Energy Research Alliance Joint Programme on Nuclear Materials (EERA JPNM). Approved Most recent IF: NA
  Call Number EMAT @ emat @UA @ admin @ c:irua:157541 Serial 5164
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Author De Valck, J.; Beames, A.; Liekens, I.; Bettens, M.; Seuntjens, P.; Broekx, S.
  Title Valuing urban ecosystem services in sustainable brownfield redevelopment Type A1 Journal article
  Year 2019 Publication Ecosystem services Abbreviated Journal
  Volume 35 Issue Pages 139-149
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  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 Thesis
  Publisher Place of Publication Editor
  Language Wos 000457119300016 Publication Date 2018-12-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2212-0416 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:157539 Serial 8733
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Author Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B.
  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
  Volume 3 Issue 2 Pages 024001
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  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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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000458161800001 Publication Date 2019-02-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 4 Open Access
  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
  Call Number UA @ admin @ c:irua:157499 Serial 5235
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Author Grubova, I.Y.; Surmeneva, M.A.; Huygh, S.; Surmenev, R.A.; Neyts, E.C.
  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
  Volume 159 Issue 159 Pages 228-234
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  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 Thesis
  Publisher Place of Publication Editor
  Language Wos 000457856900023 Publication Date 2018-12-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0927-0256 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 2.292 Times cited 1 Open Access Not_Open_Access
  Notes Approved Most recent IF: 2.292
  Call Number UA @ admin @ c:irua:157480 Serial 5272
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Author Montero-Sistiaga, M.L.; Pourbabak, S.; Van Humbeeck, J.; Schryvers, D.; Vanmeensel, K.
  Title Microstructure and mechanical properties of Hastelloy X produced by HP-SLM (high power selective laser melting) Type A1 Journal article
  Year 2019 Publication Materials & design Abbreviated Journal Mater Design
  Volume 165 Issue Pages 107598
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract In order to increase the production rate during selective laser melting (SLM), a high power laser with a large beam diameter is used to build fully dense Hastelloy X parts. Compared to SLM with a low power and small diameter beam, the productivity was increased from 6 mm3/s to 16 mm3/s, i.e. 2.6 times faster. Besides the productivity benefit, the influence of the use of a high power laser on the rapid solidification microstructure and concomitant material properties is highlighted. The current paper compares the microstructure and tensile properties of Hastelloy X built with low and high power lasers. The use of a high power laser results in wider and shallower melt pools inducing an enhanced morphological and crystallographic texture along the building direction (BD). In addition, the increased heat input results in coarser sub-grains or high density dislocation walls for samples processed with a high power laser. Additionally, the influence of hot isostatic pressing (HIP) as a post-processing technique was evaluated. After HIP, the tensile fracture strain increased as compared to the strain in the as-built state and helped in obtaining competitive mechanical properties as compared to conventionally processed Hastelloy X parts.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000458259300020 Publication Date 2019-01-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0264-1275 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.364 Times cited 15 Open Access OpenAccess
  Notes This research was supported by the ENGIE Research and Technology Division. The authors acknowledge ENGIE Research and Technology Division for the use of the SLM280HL machine. S.P. likes to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. Approved Most recent IF: 4.364
  Call Number EMAT @ emat @UA @ admin @ c:irua:157469 Serial 5176
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
  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
  Volume 6 Issue 2 Pages 025011
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  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 Thesis
  Publisher Place of Publication Editor
  Language Wos 000457856400002 Publication Date 2019-01-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 3 Open Access
  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
  Call Number UA @ admin @ c:irua:157464 Serial 5198
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Author Mescia, L.; Chiapperino, M.A.; Bia, P.; Lamacchia, C.M.; Gielis, J.; Caratelli, D.
  Title Design of electroporation process in irregularly shaped multicellular systems Type A1 Journal article
  Year 2019 Publication Electronics (Basel) Abbreviated Journal
  Volume 8 Issue 1 Pages 37
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000457142800037 Publication Date 2019-01-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2079-9292 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:157203 Serial 7765
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Author Shi, P.; Liu, M.; Yu, X.; Gielis, J.; Ratkowsky, D.A.
  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
  Volume 10 Issue 2 Pages 178
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000460744000102 Publication Date 2019-02-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1999-4907 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:157200 Serial 8427
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Author Bercx, M.; Partoens, B.; Lamoen, D.
  Title Quantitative modeling of secondary electron emission from slow-ion bombardment on semiconductors Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 99 Issue 8 Pages 085413
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract When slow ions incident on a surface are neutralized, the excess potential energy is passed on to an electron inside the surface, leading to emission of secondary electrons. The microscopic description of this process, as

well as the calculation of the secondary electron yield, is a challenging problem due to its complexity as well

as its sensitivity to surface properties. One of the first quantitative descriptions was articulated in the 1950s by

Hagstrum, who based his calculation on a parametrization of the density of states of the material. In this paper, we

present a model for calculating the secondary electron yield, derived from Hagstrum’s initial approach. We use

first-principles density functional theory calculations to acquire the necessary input and introduce the concept of

electron cascades to Hagstrum’s model in order to improve the calculated spectra, as well as remove its reliance

on fitting parameters. We apply our model to He+ and Ne+ ions incident on Ge(111) and Si(111) and obtain

yield spectra that match closely to the experimental results of Hagstrum.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000458367800010 Publication Date 2019-02-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9950 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 5 Open Access OpenAccess
  Notes We would like to thank Prof. D. Depla for the useful discussions on the secondary electron yield. Furthermore, we acknowledge financial support of FWO-Vlaanderen through project G.0216.14N. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWOVlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 3.836
  Call Number EMAT @ emat @UA @ admin @ c:irua:157174 Serial 5154
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Author Moretti, M.; Van Passel, S.; Camposeo, S.; Pedrero, F.; Dogot, T.; Lebailly, P.; Vivaldi, G.A.
  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
  Volume 660 Issue 660 Pages 1513-1521
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000457725700145 Publication Date 2019-01-06
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0048-9697 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
  Impact Factor 4.9 Times cited 4 Open Access
  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
  Call Number UA @ admin @ c:irua:156931 Serial 6227
Permanent link to this record
 

 
Author Van Schoubroeck, S.; Springael, J.; Van Dael, M.; Malina, R.; Van Passel, S.
  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
  Volume 144 Issue 144 Pages 198-208
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000461534800021 Publication Date 2019-02-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-3449 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.313 Times cited 4 Open Access
  Notes ; ; Approved Most recent IF: 3.313
  Call Number UA @ admin @ c:irua:156929 Serial 6255
Permanent link to this record
 

 
Author Privat-Maldonado, A.; Gorbanev, Y.; O'Connell, D.; Vann, R.; Chechik, V.; van der Woude, M.W.
  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
  Volume 2 Issue 2 Pages 121-128
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000456148700007 Publication Date 2017-10-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-7311; 2469-7303 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:156820 Serial 8316
Permanent link to this record
 

 
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.
  Title Depth-resolved resonant inelastic x-ray scattering at a superconductor/half-metallic-ferromagnet interface through standing wave excitation Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 98 Issue 23 Pages 235146
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000454160800004 Publication Date 2018-12-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 5 Open Access
  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
  Call Number UA @ admin @ c:irua:156784 Serial 5363
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Author Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M.
  Title Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene Type A1 Journal article
  Year 2019 Publication 2D materials Abbreviated Journal 2D Mater
  Volume 6 Issue 1 Pages 015032
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000454321100002 Publication Date 2018-11-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2053-1583 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 6.937 Times cited 23 Open Access
  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
  Call Number UA @ admin @ c:irua:156776 Serial 5207
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Author Mohammed, M.; Verhulst, A.S.; Verreck, D.; Van de Put, M.L.; Magnus, W.; Sorée, B.; Groeseneken, G.
  Title Phonon-assisted tunneling in direct-bandgap semiconductors Type A1 Journal article
  Year 2019 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 125 Issue 1 Pages 015701
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000455350200021 Publication Date 2019-01-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979; 1089-7550 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 2 Open Access
  Notes ; This work was supported by Imec's Industrial Affiliation Program. ; Approved Most recent IF: 2.068
  Call Number UA @ admin @ c:irua:156735 Serial 5224
Permanent link to this record
 

 
Author Dharma-Wardana, M.W.C.; Neilson, D.; Peeters, F.M.
  Title Correlation functions in electron-electron and electron-hole double quantum wells : temperature, density, and barrier-width dependence Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 99 Issue 3 Pages 035303
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000455163800004 Publication Date 2019-01-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 6 Open Access
  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
  Call Number UA @ admin @ c:irua:156734 Serial 5201
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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.
  Title Low-field switching of noncollinear spin texture at La0.7Sr0.3MnO3-SrRuO3interfaces Type A1 Journal article
  Year 2019 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 99 Issue 2 Pages 024416
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000455821400005 Publication Date 2019-01-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 19 Open Access OpenAccess
  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
  Call Number UA @ admin @ c:irua:156717 Serial 5255
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Author Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G.
  Title A systematic study of various 2D materials in the light of defect formation and oxidation Type A1 Journal article
  Year 2019 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
  Volume 21 Issue 3 Pages 1089-1099
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000456147000009 Publication Date 2018-12-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited 1 Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:156715 Serial 5267
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Author Rivera-Julio, J.; Gonzalez-Garcia, A.; Gonzalez-Hernandez, R.; Lopez-Perez, W.; Peeters, F.M.; Hernandez-Nieves, A.D.
  Title Vibrational properties of germanane and fluorinated germanene in the chair, boat, and zigzag-line configurations Type A1 Journal article
  Year 2019 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 31 Issue 7 Pages 075301
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000454925400001 Publication Date 2018-11-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 2.649 Times cited 9 Open Access
  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
  Call Number UA @ admin @ c:irua:156708 Serial 5238
Permanent link to this record
 

 
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.
  Title Novel phenyl-substituted pyrazinoporphyrazine complexes of rare-earth elements : optimized synthetic protocols and physicochemical properties Type A1 Journal article
  Year 2019 Publication New journal of chemistry Abbreviated Journal New J Chem
  Volume 43 Issue 7 Pages 3153-3161
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000459944500035 Publication Date 2019-01-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1144-0546 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 3.269 Times cited 1 Open Access
  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
  Call Number UA @ admin @ c:irua:156555 Serial 5750
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Author Altantzis, T.; Lobato, I.; De Backer, A.; Béché, A.; Zhang, Y.; Basak, S.; Porcu, M.; Xu, Q.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Van Tendeloo, G.; Van Aert, S.; Bals, S.
  Title Three-Dimensional Quantification of the Facet Evolution of Pt Nanoparticles in a Variable Gaseous Environment Type A1 Journal article
  Year 2019 Publication Nano letters Abbreviated Journal Nano Lett
  Volume 19 Issue 19 Pages 477-481
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Pt nanoparticles play an essential role in a wide variety of catalytic reactions. The activity of the particles strongly depends on their three-dimensional (3D) structure and exposed facets, as well as on the reactive environment. High-resolution electron microscopy has often been used to characterize nanoparticle catalysts but unfortunately most observations so far have been either performed in vacuum and/or using conventional (2D) in situ microscopy. The latter however does not provide direct 3D morphological information. We have implemented a quantitative methodology to measure variations of the 3D atomic structure of nanoparticles under the flow of a selected gas. We were thereby able to quantify refaceting of Pt nanoparticles with atomic resolution during various oxidation−reduction cycles. In a H2 environment, a more faceted surface morphology of the particles was observed with {100} and {111} planes being dominant. On the other hand, in O2 the percentage of {100} and {111} facets decreased and a significant increase of higher order facets was found, resulting in a more rounded morphology. This methodology opens up new opportunities toward in situ characterization of catalytic nanoparticles because for the first time it enables one to directly measure 3D morphology variations at the atomic scale in a specific gaseous reaction environment.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000455561300061 Publication Date 2019-01-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1530-6984 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles
  Impact Factor 12.712 Times cited 82 Open Access OpenAccess
  Notes This work was supported by the European Research Council (Grant 335078 COLOURATOM to S.B. and Grant 770887 PICOMETRICS to S.V.A.). The authors acknowledge funding from the European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M., and Q.X. and MUMMERING 765604 to S.B. and Q.X.). The authors gratefully acknowledge funding from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0368.15N, G.0369.15N, and G.0267.18N), postdoctoral grants to T.A. and A.D.B, and an FWO [PEGASUS]2 Marie Sklodowska-Curie fellowship to Y.Z. (12U4917N). L.M.L.-M. acknowledges funding from the Spanish Ministerio de Economía y Competitividad (Grant MAT2017-86659-R). We gratefully acknowledge the support of NVIDIA Corporation with the donation of the Titan X Pascal GPU used for this research. ecas_sara Realnano 815128; sygma Approved Most recent IF: 12.712
  Call Number EMAT @ emat @UA @ admin @ c:irua:156390 Serial 5150
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