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Author Tan, X.; Stephens, P.W.; Hendrickx, M.; Hadermann, J.; Segre, C.U.; Croft, M.; Kang, C.-J.; Deng, Z.; Lapidus, S.H.; Kim, S.W.; Jin, C.; Kotliar, G.; Greenblatt, M.
  Title Tetragonal Cs1.17In0.81Cl3 : a charge-ordered indium halide perovskite derivative Type A1 Journal article
  Year 2019 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 31 Issue (down) 6 Pages 1981-1989
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Polycrystalline samples of Cs1.17In0.81Cl3 were prepared by annealing a mixture of CsCl, InCl, and InCl3, stoichiometric for the targeted CsInCl3. Synchrotron powder X-ray diffraction refinement and chemical analysis by energy dispersive X-ray indicated that Cs1.17In0.81Cl3, a tetragonal distorted perovskite derivative (I4/m), is the thermodynamically stable product. The refined unit cell parameters and space group were confirmed by electron diffraction. In the tetragonal structure, In+ and In3+ are located in four different crystallographic sites, consistent with their corresponding bond lengths. In1, In2, and In3 are octahedrally coordinated, whereas In4 is at the center of a pentagonal bipyramid of Cl because of the noncooperative octahedral tilting of In4Cl6. The charged-ordered In+ and In3+ were also confirmed by X-ray absorption and Raman spectroscopy. Cs1.17In0.81Cl3 is the first example of an inorganic halide double perovskite derivative with charged-ordered In+ and In3+. Band structure and optical conductivity calculations were carried out with both generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) approach; the GGA calculations estimated the band gap and optical band gap to be 2.27 eV and 2.4 eV, respectively. The large and indirect band gap suggests that Cs1.17In0.81Cl3 is not a good candidate for photovoltaic application.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000462950400017 Publication Date 2019-02-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 6 Open Access OpenAccess
  Notes ; M.G. and X.T. were supported by the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant No. DE-FOA-0001276. M.G. also acknowledges support of NSF-DMR-1507252 grant. G.K. and C.-J.K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. The use of the Advanced Photon Source at the Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The works at IOPCAS were supported by NSF & MOST of China through research projects. ; Approved Most recent IF: 9.466
  Call Number UA @ admin @ c:irua:159413 Serial 5262
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Author Ramaneti, R.; Sankaran, K.J.; Korneychuk, S.; Yeh, C.J.; Degutis, G.; Leou, K.C.; Verbeeck, J.; Van Bael, M.K.; Lin, I.N.; Haenen, K.
  Title Vertically aligned diamond-graphite hybrid nanorod arrays with superior field electron emission properties Type A1 Journal article
  Year 2017 Publication APL materials Abbreviated Journal Apl Mater
  Volume 5 Issue (down) 6 Pages 066102
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract A “patterned-seeding technique” in combination with a “nanodiamond masked reactive ion etching process” is demonstrated for fabricating vertically aligned diamond-graphite hybrid (DGH) nanorod arrays. The DGH nanorod arrays possess superior field electron emission (FEE) behavior with a low turn-on field, long lifetime stability, and large field enhancement factor. Such an enhanced FEE is attributed to the nanocomposite nature of theDGHnanorods, which contain sp(2)-graphitic phases in the boundaries of nano-sized diamond grains. The simplicity in the nanorod fabrication process renders the DGH nanorods of greater potential for the applications as cathodes in field emission displays and microplasma display devices. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404623000002 Publication Date 2017-06-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2166-532x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.335 Times cited 16 Open Access
  Notes The authors would like to thank the Methusalem “NANO” network for financial support and Mr. B. Ruttens and Professor Jan D'Haen for technical and experimental assistance. K.J. Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Approved Most recent IF: 4.335
  Call Number UA @ admin @ c:irua:152633 Serial 5369
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Author Chizhov, A.; Vasiliev, R.; Rumyantseva, M.; Krylov, I.; Drozdov, K.; Batuk, M.; Hadermann, J.; Abakumov, A.; Gaskov, A.
  Title Light-activated sub-ppm NO2 detection by hybrid ZnO/QD nanomaterials vs. charge localization in core-shell QD Type A1 Journal article
  Year 2019 Publication Frontiers in materials Abbreviated Journal
  Volume 6 Issue (down) 6 Pages
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract New hybrid materials-photosensitized nanocomposites containing nanocrystal heterostructures with spatial charge separation, show high response for practically important sub-ppm level NO2 detection at room temperature. Nanocomposites ZnO/CdSe, ZnO/(CdS@CdSe), and ZnO/(ZnSe@CdS) were obtained by the immobilization of nanocrystals-colloidal quantum dots (QDs), on the matrix of nanocrystalline ZnO. The formation of crystalline core-shell structure of QDs was confirmed by HAADF-STEM coupled with EELS mapping. Optical properties of photosensitizers have been investigated by optical absorption and luminescence spectroscopy combined with spectral dependences of photoconductivity, which proved different charge localization regimes. Photoelectrical and gas sensor properties of nanocomposites have been studied at room temperature under green light (max = 535 nm) illumination in the presence of 0.12-2 ppm NO2 in air. It has been demonstrated that sensitization with type II heterostructure ZnSe@CdS with staggered gap provides the rapid growth of effective photoresponse with the increase in the NO2 concentration in air and the highest sensor sensitivity toward NO2. We believe that the use of core-shell QDs with spatial charge separation opens new possibilities in the development of light-activated gas sensors working without thermal heating.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000487641600002 Publication Date 2019-09-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2296-8016 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 1 Open Access
  Notes ; This work was financially supported by RFBR grant No. 1653-76001 (RFBR – ERA.Net FONSENS 096) and in part by a grant from the St. Petersburg State University – Event 3-2018 (id: 26520408). AC acknowledges support from the RFBR grant No. 18-33-01004. ; Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:163776 Serial 5390
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Author Poulain, R.; Lumbeeck, G.; Hunka, J.; Proost, J.; Savolainen, H.; Idrissi, H.; Schryvers, D.; Gauquelin, N.; Klein, A.
  Title Electronic and chemical properties of nickel oxide thin films and the intrinsic defects compensation mechanism Type A1 Journal article
  Year 2022 Publication ACS applied electronic materials Abbreviated Journal
  Volume 4 Issue (down) 6 Pages 2718-2728
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Although largely studied, contradictory results on nickel oxide (NiO) properties can be found in the literature. We herein propose a comprehensive study that aims at leveling contradictions related to NiO materials with a focus on its conductivity, surface properties, and the intrinsic charge defects compensation mechanism with regards to the conditions preparation. The experiments were performed by in situ photo-electron spectroscopy, electron energy loss spectroscopy, and optical as well as electrical measurements on polycrystalline NiO thin films prepared under various preparation conditions by reactive sputtering. The results show that surface and bulk properties were strongly related to the deposition temperature with in particular the observation of Fermi level pinning, high work function, and unstable oxygen-rich grain boundaries for the thin films produced at room temperature but not at high temperature (>200 degrees C). Finally, this study provides substantial information about surface and bulk NiO properties enabling to unveil the origin of the high electrical conductivity of room temperature NiO thin films and also for supporting a general electronic charge compensation mechanism of intrinsic defects according to the deposition temperature.
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  Corporate Author Thesis
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  Language Wos 000819431200001 Publication Date 2022-06-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2637-6113 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:189555 Serial 7081
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Author Vishwakarma, M.; Batra, Y.; Hadermann, J.; Singh, A.; Ghosh, A.; Mehta, B.R.
  Title Exploring the role of graphene oxide as a co-catalyst in the CZTS photocathodes for improved photoelectrochemical properties Type A1 Journal article
  Year 2022 Publication ACS applied energy materials Abbreviated Journal
  Volume 5 Issue (down) 6 Pages 7538-7549
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The hydrogen evolution properties of CZTS heterostructure photocathodes are reported with graphene oxide (GO) as a co-catalyst layer coated by a drop-cast method and an Al2O3 protection layer fabricated using atomic layer deposition. In the CZTS absorber, a minor deviation from stoichiometry across the cross section of the thin film results in nanoscale growth of spurious phases, but the kesterite phase remains the dominant phase. We have investigated the band alignment parameters such as the band gap, work function, and Fermi level position that are crucial for making kesterite-based heterostructure devices. The photocurrent density in the photocathode CZTS/CdS/ZnO is found to be improved to -4.71 mAmiddotcm(-2) at -0.40 V-RHE, which is 3 times that of the pure CZTS. This enhanced photoresponse can be attributed to faster carrier separation at p-n junction regions driven by upward band bending at CZTS grain boundaries and the ZnO layer. GO as a co-catalyst over the heterostructure photocathode significantly improves the photocurrent density to -6.14 mAmiddotcm(-2) at -0.40 V-RHE by effective charge migration in the CZTS/CdS/ZnO/GO configuration, but the onset potential shifts only after application of the Al2O3 protection layer. Significant photocurrents of -29 mAmiddotcm(-2) at -0.40 V-RHE and -8 mAmiddotcm(-2) at 0 V-RHE are observed, with an onset potential of 0.7 V-RHE in CZTS/CdS/ZnO/GO/Al2O3. The heterostructure configuration and the GO co-catalyst reduce the charge-transfer resistance, while the Al2O3 top layer provides a stable photocurrent for a prolonged time (similar to 16 h). The GO co-catalyst increases the flat band potential from 0.26 to 0.46 V-RHE in CZTS/CdS/ZnO/GO, which supports the bias-induced band bending at the electrolyte-electrode interface.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000820418400001 Publication Date 2022-05-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2574-0962 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.4 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 6.4
  Call Number UA @ admin @ c:irua:189666 Serial 7082
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Author Pacquets, L.; Van den Hoek, J.; Arenas Esteban, D.; Ciocarlan, R.-G.; Cool, P.; Baert, K.; Hauffman, T.; Daems, N.; Bals, S.; Breugelmans, T.
  Title Use of nanoscale carbon layers on Ag-based gas diffusion electrodes to promote CO production Type A1 Journal article
  Year 2022 Publication ACS applied nano materials Abbreviated Journal
  Volume 5 Issue (down) 6 Pages 7723-7732
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA); Applied Electrochemistry & Catalysis (ELCAT)
  Abstract A promising strategy for the inhibition of the hydrogen evolution reaction along with the stabilization of the electrocatalyst in electrochemical CO2 reduction cells involves the application of a nanoscale amorphous carbon layer on top of the active catalyst layer in a gas diffusion electrode. Without modifying the chemical nature of the electrocatalyst itself, these amorphous carbon layers lead to the stabilization of the electrocatalyst, and a significant improvement with respect to the inhibition of the hydrogen evolution reaction was also obtained. The faradaic efficiencies of hydrogen could be reduced from 31.4 to 2.1% after 1 h of electrolysis with a 5 nm thick carbon layer. Furthermore, the impact of the carbon layer thickness (5–30 nm) on this inhibiting effect was investigated. We determined an optimal thickness of 15 nm where the hydrogen evolution reaction was inhibited and a decent stability was obtained. Next, a thickness of 15 nm was selected for durability measurements. Interestingly, these durability measurements revealed the beneficial impact of the carbon layer already after 6 h by suppressing the hydrogen evolution such that an increase of only 37.9% exists compared to 56.9% without the use of an additional carbon layer, which is an improvement of 150%. Since carbon is only applied afterward, it reveals its great potential in terms of electrocatalysis in general.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000818507900001 Publication Date 2022-05-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2574-0970 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.9 Times cited 3 Open Access OpenAccess
  Notes L.P. was supported through a Ph.D. fellowship strategic basic research (1S56920N) of the Research Foundation-Flanders (FWO). S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO. This research was financed by the Research Council of the University of Antwerp (BOF-GOA 33928). P.C. and R.-G.C. acknowledge financial support by FWO Flanders (project no. G038215N). The authors recognize the contribution of S. Pourbabak and T. Derez for the assistance with the Ag and carbon coating, Indah Prihatiningtyas and Bart Van der Bruggen for the assistance with the contact angle measurements, Daniel Choukroun for the use of the in-house-made hybrid flow cell, and Stijn Van den Broeck for his assistance with the FIB measurements. Approved Most recent IF: 5.9
  Call Number UA @ admin @ c:irua:188887 Serial 7099
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Author Benedoue, S.; Benedet, M.; Gasparotto, A.; Gauquelin, N.; Orekhov, A.; Verbeeck, J.; Seraglia, R.; Pagot, G.; Rizzi, G.A.; Balzano, V.; Gavioli, L.; Noto, V.D.; Barreca, D.; Maccato, C.
  Title Insights into the Photoelectrocatalytic Behavior of gCN-Based Anode Materials Supported on Ni Foams Type A1 Journal article
  Year 2023 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
  Volume 13 Issue (down) 6 Pages 1035
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Graphitic carbon nitride (gCN) is a promising n-type semiconductor widely investigated for photo-assisted water splitting, but less studied for the (photo)electrochemical degradation of aqueous organic pollutants. In these fields, attractive perspectives for advancements are offered by a proper engineering of the material properties, e.g., by depositing gCN onto conductive and porous scaffolds, tailoring its nanoscale morphology, and functionalizing it with suitable cocatalysts. The present study reports on a simple and easily controllable synthesis of gCN flakes on Ni foam substrates by electrophoretic deposition (EPD), and on their eventual decoration with Co-based cocatalysts [CoO, CoFe2O4, cobalt phosphate (CoPi)] via radio frequency (RF)-sputtering or electrodeposition. After examining the influence of processing conditions on the material characteristics, the developed systems are comparatively investigated as (photo)anodes for water splitting and photoelectrocatalysts for the degradation of a recalcitrant water pollutant [potassium hydrogen phthalate (KHP)]. The obtained results highlight that while gCN decoration with Co-based cocatalysts boosts water splitting performances, bare gCN as such is more efficient in KHP abatement, due to the occurrence of a different reaction mechanism. The related insights, provided by a multi-technique characterization, may provide valuable guidelines for the implementation of active nanomaterials in environmental remediation and sustainable solar-to-chemical energy conversion.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000960297000001 Publication Date 2023-03-13
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.3 Times cited 3 Open Access OpenAccess
  Notes The present work was financially supported by CNR (Progetti di Ricerca @CNR—avviso 2020—ASSIST), Padova University (P-DiSC#04BIRD2020-UNIPD EUREKA, DOR 2020–2022), AMGA Foundation (NYMPHEA project), INSTM Consortium (INSTM21PDGASPAROTTO—NANOMAT, INSTM21PDBARMAC—ATENA) and the European Union’s Horizon 2020 research and innovation program under grant agreement No. 823717—ESTEEM3. The FWO-Hercules fund G0H4316N ‘Direct electron detector for soft matter TEM’ is also acknowledged. Many thanks are also due to Dr. Riccardo Lorenzin for his support to experimental activities.; esteem3reported; esteem3TA Approved Most recent IF: 5.3; 2023 IF: 3.553
  Call Number EMAT @ emat @c:irua:196115 Serial 7378
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Author Bhatia, H.; Keshavarz, M.; Martin, C.; Van Gaal, L.; Zhang, Y.; de Coen, B.; Schrenker, N.J.; Valli, D.; Ottesen, M.; Bremholm, M.; Van de Vondel, J.; Bals, S.; Hofkens, J.; Debroye, E.
  Title Achieving High Moisture Tolerance in Pseudohalide Perovskite Nanocrystals for Light-Emitting Diode Application Type A1 Journal Article
  Year 2023 Publication ACS Applied Optical Materials Abbreviated Journal ACS Appl. Opt. Mater.
  Volume 1 Issue (down) 6 Pages 1184-1191
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
  Abstract The addition of potassium thiocyanate (KSCN) to the FAPbBr3 structure and subsequent post-treatment of nanocrystals (NCs) lead to high quantum confinement, resulting in a photoluminescent quantum yield (PLQY) approaching unity and microsecond decay times. This synergistic approach demonstrated exceptional stability under humid conditions, retaining 70% of the PLQY for over a month, while the untreated NCs degrade within 24 h. Additionally, the devices incorporating the post-treated NCs displayed 1.5% external quantum efficiency (EQE), a 5-fold improvement over untreated devices. These results provide promising opportunities for the use of perovskites in moisture-stable optoelectronics.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date 2023-06-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2771-9855 ISBN Additional Links UA library record
  Impact Factor Times cited Open Access OpenAccess
  Notes Hercules Foundation, HER/11/14 ; European Commission; Ministerio de Ciencia e Innovaci?n, PID2021-128761OA-C22 ; European Regional Development Fund; Vlaamse regering, CASAS2 Meth/15/04 ; Fonds Wetenschappelijk Onderzoek, 1238622N 1514220N 1S45223N G.0B39.15 G.0B49.15 G098319N S002019N ZW15_09-GOH6316 ; Onderzoeksraad, KU Leuven, C14/19/079 db/21/006/bm iBOF-21-085 STG/21/010 ; Junta de Comunidades de Castilla-La Mancha, SBPLY/21/180501/000127 ; H2020 European Research Council, 642196 815128 ; Approved Most recent IF: NA
  Call Number EMAT @ emat @c:irua:201011 Serial 8975
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Author Van den Hoek, J.; Daems, N.; Arnouts, S.; Hoekx, S.; Bals, S.; Breugelmans, T.
  Title Improving stability of CO₂ electroreduction by incorporating Ag NPs in N-doped ordered mesoporous carbon structures Type A1 Journal article
  Year 2024 Publication ACS applied materials and interfaces Abbreviated Journal
  Volume 16 Issue (down) 6 Pages 6931-6947
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
  Abstract The electroreduction of carbon dioxide (eCO2RR) to CO using Ag nanoparticles as an electrocatalyst is promising as an industrial carbon capture and utilization (CCU) technique to mitigate CO2 emissions. Nevertheless, the long-term stability of these Ag nanoparticles has been insufficient despite initial high Faradaic efficiencies and/or partial current densities. To improve the stability, we evaluated an up-scalable and easily tunable synthesis route to deposit low-weight percentages of Ag nanoparticles (NPs) on and into the framework of a nitrogen-doped ordered mesoporous carbon (NOMC) structure. By exploiting this so-called nanoparticle confinement strategy, the nanoparticle mobility under operation is strongly reduced. As a result, particle detachment and agglomeration, two of the most pronounced electrocatalytic degradation mechanisms, are (partially) blocked and catalyst durability is improved. Several synthesis parameters, such as the anchoring agent, the weight percentage of Ag NPs, and the type of carbonaceous support material, were modified in a controlled manner to evaluate their respective impact on the overall electrochemical performance, with a strong emphasis on operational stability. The resulting powders were evaluated through electrochemical and physicochemical characterization methods, including X-ray diffraction (XRD), N2-physisorption, Inductively coupled plasma mass spectrometry (ICP-MS), scanning electron microscopy (SEM), SEM-energy-dispersive X-ray spectroscopy (SEM-EDS), high-angle annular dark field scanning transmission electron microscopy (HAADF-STEM), STEM-EDS, electron tomography, and X-ray photoelectron spectroscopy (XPS). The optimized Ag/soft-NOMC catalysts showed both a promising selectivity (∼80%) and stability compared with commercial Ag NPs while decreasing the loading of the transition metal by more than 50%. The stability of both the 5 and 10 wt % Ag/soft-NOMC catalysts showed considerable improvements by anchoring the Ag NPs on and into a NOMC framework, resulting in a 267% improvement in CO selectivity after 72 h (despite initial losses) compared to commercial Ag NPs. These results demonstrate the promising strategy of anchoring Ag NPs to improve the CO selectivity during prolonged experiments due to the reduced mobility of the Ag NPs and thus enhanced stability.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001158812100001 Publication Date 2023-12-21
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record
  Impact Factor 9.5 Times cited Open Access Not_Open_Access: Available from 21.06.2024
  Notes Approved Most recent IF: 9.5; 2024 IF: 7.504
  Call Number UA @ admin @ c:irua:202309 Serial 9045
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Author Billet, J.; Vandewalle, S.; Meire, M.; Blommaerts, N.; Lommens, P.; Verbruggen, S.W.; De Buysser, K.; Du Prez, F.; Van Driesche, I.
  Title Mesoporous TiO2 from poly(N,N-dimethylacrylamide)-b-polystyrene block copolymers for long-term acetaldehyde photodegradation Type A1 Journal article
  Year 2019 Publication Journal of materials science Abbreviated Journal J Mater Sci
  Volume 55 Issue (down) 55 Pages 1933-1945
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Although already some mesoporous (2–50 nm) sol–gel TiO2 synthesis strategies exist, no pore size control beyond the 12 nm range is possible without using specialized organic structure-directing agents synthetized via controlled anionic/radical polymerizations. Here, we present the use of reversible addition–fragmentation chain transfer (RAFT) polymerization as a straightforward and industrial applicable alternative to the existing controlled polymerization methods for structure-directing agent synthesis. Poly(N,N-dimethylacrylamide)-block-polystyrene (PDMA-b-PS) block copolymer, synthesized via RAFT, was chosen as structure-directing agent for the formation of the mesoporous TiO2. Crack-free thin layers TiO2 with tunable pores from 8 to 45 nm could be acquired. For the first time, in a detailed and systematic approach, the influence of the block size and dispersity of the block copolymer is experimentally screened for their influence on the final meso-TiO2 layers. As expected, the mesoporous TiO2 pore sizes showed a clear correlation to the polystyrene block size and the dispersity of the PDMA-b-PS block copolymer. Surprisingly, the dispersity of the polymer was shown not to be affecting the standard deviation of the pores. As a consequence, RAFT could be seen as a viable alternative to the aforementioned controlled polymerization reactions for the synthesis of structure-directing agents enabling the formation of mesoporous pore size-controlled TiO2. To examine the photocatalytic activity of the mesoporous TiO2 thin layers, the degradation of acetaldehyde, a known indoor pollutant, was studied. Even after 3 years of aging, the TiO2 thin layer retained most of its activity.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000494929300001 Publication Date 2019-11-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-2461 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.599 Times cited 2 Open Access
  Notes ; Ghent University is acknowledged for funding the research presented in this paper. M. Meire and S. W. Verbruggen acknowledge the FWO-Flanders (Fund for Scientific Research-Flanders) for financial support. The authors thank Bernhard De Meyer for the SEC analysis, Hannes Rijckaert for the cross-sectional analysis, Tom Planckaert for BET analysis of the meso-TiO<INF>2</INF> powders, Jeroen Kint for the porosiellipsometry tests and Frank Driessen for the MALDI-TOF analysis. ; Approved Most recent IF: 2.599
  Call Number UA @ admin @ c:irua:163842 Serial 5969
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Author Tinck, S.; Neyts, E.C.; Bogaerts, A.
  Title Fluorinesilicon surface reactions during cryogenic and near room temperature etching Type A1 Journal article
  Year 2014 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 118 Issue (down) 51 Pages 30315-30324
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Cyrogenic etching of silicon is envisaged to enable better control over plasma processing in the microelectronics industry, albeit little is known about the fundamental differences compared to the room temperature process. We here present molecular dynamics simulations carried out to obtain sticking probabilities, thermal desorption rates, surface diffusion speeds, and sputter yields of F, F2, Si, SiF, SiF2, SiF3, SiF4, and the corresponding ions on Si(100) and on SiF13 surfaces, both at cryogenic and near room temperature. The different surface behavior during conventional etching and cryoetching is discussed. F2 is found to be relatively reactive compared to other species like SiF03. Thermal desorption occurs at a significantly lower rate under cryogenic conditions, which results in an accumulation of physisorbed species. Moreover, ion incorporation is often observed for ions with energies of 30400 eV, which results in a relatively low net sputter yield. The obtained results suggest that the actual etching of Si, under both cryogenic and near room temperature conditions, is based on the complete conversion of the Si surface to physisorbed SiF4, followed by subsequent sputtering of these molecules, instead of direct sputtering of the SiF03 surface.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000347360200101 Publication Date 2014-11-25
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 11 Open Access
  Notes Approved Most recent IF: 4.536; 2014 IF: 4.772
  Call Number UA @ lucian @ c:irua:122957 Serial 1239
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Author Eren, I.; Ozen, S.; Sozen, Y.; Yagmurcukardes, M.; Sahin, H.
  Title Vertical van der Waals heterostructure of single layer InSe and SiGe Type A1 Journal article
  Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 123 Issue (down) 51 Pages 31232-31237
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications.
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  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000505632900050 Publication Date 2019-12-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited Open Access
  Notes Approved Most recent IF: 4.536
  Call Number UA @ admin @ c:irua:165718 Serial 6332
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Author Jenkinson, K.; Spadaro, M.C.; Golovanova, V.; Andreu, T.; Morante, J.R.; Arbiol, J.; Bals, S.
  Title Direct operando visualization of metal support interactions induced by hydrogen spillover during CO₂ hydrogenation Type A1 Journal article
  Year 2023 Publication Advanced materials Abbreviated Journal
  Volume 35 Issue (down) 51 Pages 2306447-10
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The understanding of catalyst active sites is a fundamental challenge for the future rational design of optimized and bespoke catalysts. For instance, the partial reduction of Ce4+ surface sites to Ce3+ and the formation of oxygen vacancies are critical for CO2 hydrogenation, CO oxidation, and the water gas shift reaction. Furthermore, metal nanoparticles, the reducible support, and metal support interactions are prone to evolve under reaction conditions; therefore a catalyst structure must be characterized under operando conditions to identify active states and deduce structure-activity relationships. In the present work, temperature-induced morphological and chemical changes in Ni nanoparticle-decorated mesoporous CeO2 by means of in situ quantitative multimode electron tomography and in situ heating electron energy loss spectroscopy, respectively, are investigated. Moreover, operando electron energy loss spectroscopy is employed using a windowed gas cell and reveals the role of Ni-induced hydrogen spillover on active Ce3+ site formation and enhancement of the overall catalytic performance.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001106139400001 Publication Date 2023-10-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record
  Impact Factor 29.4 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 29.4; 2023 IF: 19.791
  Call Number UA @ admin @ c:irua:201143 Serial 9022
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Author Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M.
  Title Tailoring the Ti-C nanoprecipitate population and microstructure of titanium stabilized austenitic steels Type A1 Journal article
  Year 2018 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater
  Volume 507 Issue (down) 507 Pages 177-187
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract The present work reports on the microstructural evolution of a new heat of 24% cold worked austenitic DIN 1.4970 (15-15Ti) nuclear cladding steel subjected to ageing heat treatments of varying duration between 500 and 800 degrees C (by steps of 100 degrees C). The primary aim was studying the finely dispersed Ti-C nanoprecipitate population, which are thought to be beneficial for creep and swelling resistance during service. Their size distribution and number density were estimated through dark field imaging and bright field Moire imaging techniques in the transmission electron microscope. Nanoprecipitates formed at and above 600 degrees C, which is a lower temperature than previously reported. The observed nucleation, growth and coarsening behavior of the nanoprecipitates were consistent with simple diffusion arguments. The formation of nanoprecipitates coincided with significant dissociation of dislocations as evidenced by weak beam dark field imaging. Possible mechanisms, including Silcock's stacking fault growth model and Suzuki segregation, are discussed. Recrystallization observed after extended ageing at 800 degrees C caused the redissolution of nanoprecipitates. Large primary Ti(C,N) and (Ti,Mo)C precipitates that occur in the as-received material, and M23C6 precipitates that nucleate on grain boundaries at low temperatures were also characterized by a selective dissolution procedure involving filtration, X-ray diffraction and quantitative Rietveld refinement. The partitioning of key elements between the different phases was derived by combining these findings and was consistent with thermodynamic considerations and the processing history of the steel. (C) 2018 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Amsterdam Editor
  Language Wos 000438019800021 Publication Date 2018-04-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.048 Times cited 1 Open Access Not_Open_Access
  Notes ; We would like to acknowledge ENGIE, SCK.CEN, the SCK.CEN academy and the MYRRHA project for the financial support of this work. Special thanks to T. Wangle and P. Dries for their help with filtration and gravimetry. Also thanks to Dr. G. Leinders for the discussions on XRD and Rietveld refinement. Thanks to E. Charalampopoulou and A. Youssef for assisting with the dissolution experiments. ; Approved Most recent IF: 2.048
  Call Number UA @ lucian @ c:irua:152382 Serial 5043
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Author Khalilov, U.; Neyts, E.C.; Pourtois, G.; van Duin, A.C.T.
  Title Can we control the thickness of ultrathin silica layers by hyperthermal silicon oxidation at room temperature? Type A1 Journal article
  Year 2011 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 115 Issue (down) 50 Pages 24839-24848
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract Using reactive molecular dynamics simulations by means of the ReaxFF potential, we studied the growth mechanism of ultrathin silica (SiO2) layers during hyperthermal oxidation at room temperature. Oxidation of Si(100){2 × 1} surfaces by both atomic and molecular oxygen was investigated in the energy range 15 eV. The oxidation mechanism, which differs from thermal oxidation, is discussed. In the case of oxidation by molecular O2, silica is quickly formed and the thickness of the formed layers remains limited compared to oxidation by atomic oxygen. The Si/SiO2 interfaces are analyzed in terms of partial charges and angle distributions. The obtained structures of the ultrathin SiO2 films are amorphous, including some intrinsic defects. This study is important for the fabrication of silica-based devices in the micro- and nanoelectronics industry, and more specifically for the fabrication of metal oxide semiconductor devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000297947700050 Publication Date 2011-11-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 36 Open Access
  Notes Approved Most recent IF: 4.536; 2011 IF: 4.805
  Call Number UA @ lucian @ c:irua:94303 Serial 273
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Author Borah, R.; Verbruggen, S.W.
  Title Coupled plasmon modes in 2D gold nanoparticle clusters and their effect on local temperature control Type A1 Journal article
  Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 123 Issue (down) 50 Pages 30594-30603
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Assemblies of closely separated gold nanoparticles exhibit a strong collective plasmonic response due to coupling of the plasmon modes of the individual nanostructures. In the context of self-assembly of nanoparticles, close-packed two-dimensional (2D) clusters of spherical nanoparticles present an important composite system that promises numerous applications. The present study probes the collective plasmonic characteristics and resulting photothermal behavior of close-packed 2D Au nanoparticle clusters to delineate the effects of the cluster size, interparticle distance, and particle size. Smaller nanoparticles (20 and 40 nm in diameter) that exhibit low individual scattering and high absorption were considered for their relevance to photothermal applications. In contrast to typical literature studies, the present study compares the optical response of clusters of different sizes ranging from a single nanoparticle up to large assemblies of 61 nanoparticles. Increasing the cluster size induces significant changes to the spectral position and optophysical characteristics. Based on the model outcome, an optimal cluster size for maximum absorption per nanoparticle is also determined for enhanced photothermal effects. The effect of the particle size and interparticle distance is investigated to elucidate the nature of interaction in terms of near-field and far-field coupling. The photothermal effect resulting from absorption is compared for different cluster sizes and interparticle distances considering a homogeneous water medium. A strong dependence of the steady-state temperature of the nanoparticles on the cluster size, particle position in the cluster, incident light polarization, and interparticle distance provides new physical insight into the local temperature control of plasmonic nanostructures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000503919500061 Publication Date 2019-11-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited Open Access
  Notes Approved Most recent IF: 4.536
  Call Number UA @ admin @ c:irua:164530 Serial 5938
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Author Parrilla, M.; De Wael, K.
  Title Wearable self‐powered electrochemical devices for continuous health management Type A1 Journal article
  Year 2021 Publication Advanced Functional Materials Abbreviated Journal Adv Funct Mater
  Volume 31 Issue (down) 50 Pages 2107042
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract The wearable revolution is already present in society through numerous gadgets. However, the contest remains in fully deployable wearable (bio)chemical sensing. Its use is constrained by the energy consumption which is provided by miniaturized batteries, limiting the autonomy of the device. Hence, the combination of materials and engineering efforts to develop sustainable energy management is paramount in the next generation of wearable self-powered electrochemical devices (WeSPEDs). In this direction, this review highlights for the first time the incorporation of innovative energy harvesting technologies with top-notch wearable self-powered sensors and low-powered electrochemical sensors toward battery-free and self-sustainable devices for health and wellbeing management. First, current elements such as wearable designs, electrochemical sensors, energy harvesters and storage, and user interfaces that conform WeSPEDs are depicted. Importantly, the bottlenecks in the development of WeSPEDs from an analytical perspective, product side, and power needs are carefully addressed. Subsequently, energy harvesting opportunities to power wearable electrochemical sensors are discussed. Finally, key findings that will enable the next generation of wearable devices are proposed. Overall, this review aims to bring new strategies for an energy-balanced deployment of WeSPEDs for successful monitoring of (bio)chemical parameters of the body toward personalized, predictive, and importantly, preventive healthcare.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000694642500001 Publication Date 2021-09-09
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1616-301x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 12.124 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 12.124
  Call Number UA @ admin @ c:irua:181306 Serial 8750
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Author Tsirlin, A.A.; Chernaya, V.V.; Shpanchenko, R.V.; Antipov, E.V.; Hadermann, J.
  Title Crystal structure and properties of the new complex vanadium oxide K2SrV3O9 Type A1 Journal article
  Year 2005 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
  Volume 40 Issue (down) 5 Pages 800-809
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000229376500010 Publication Date 2005-03-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0025-5408; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.446 Times cited 9 Open Access
  Notes Approved Most recent IF: 2.446; 2005 IF: 1.380
  Call Number UA @ lucian @ c:irua:52373 Serial 564
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Author Oró-Solé, J.; Frontera, C.; Beltrán-Porter, D.; Lebedev, O.I.; Van Tendeloo, G.; Fuertes, A.
  Title Crystal structures of superconducting sodium intercalates of hafnium nitride chloride Type A1 Journal article
  Year 2006 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
  Volume 41 Issue (down) 5 Pages 934-940
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000238116800005 Publication Date 2006-04-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0025-5408; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.446 Times cited 8 Open Access
  Notes Approved Most recent IF: 2.446; 2006 IF: 1.383
  Call Number UA @ lucian @ c:irua:59594 Serial 579
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Author Vodolazov, D.I.; Peeters, F.M.
  Title Dynamic transitions between metastable states in a superconducting ring Type A1 Journal article
  Year 2002 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 66 Issue (down) 5 Pages 054537-054537,7
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Applying the time-dependent Ginzburg-Landau equations, transitions between metastable states of a superconducting ring are investigated in the presence of an external magnetic field. It is shown that if the ring exhibits several metastable states at a particular magnetic field, the transition from one metastable state to another one is governed by both the relaxation time of the absolute value of the order parameter tau(\psi\) and the relaxation time of the phase of the order parameter tau(phi). We found that the larger the ratio tau(\psi\)/tau(phi), the closer the final state will be to the absolute minimum of the free energy, i.e., the thermodynamic equilibrium. The transition to the final state occurs through a subsequent set of single phase slips at a particular point along the ring.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000177873000143 Publication Date 2002-08-30
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0163-1829;1095-3795; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 34 Open Access
  Notes Approved Most recent IF: 3.836; 2002 IF: NA
  Call Number UA @ lucian @ c:irua:94917 Serial 768
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Author Berdiyorov, G.; Harrabi, K.; Oktasendra, F.; Gasmi, K.; Mansour, A.I.; Maneval, J.P.; Peeters, F.M.
  Title Dynamics of current-driven phase-slip centers in superconducting strips Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 90 Issue (down) 5 Pages 054506
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Phase-slip centers/lines and hot spots are the main mechanisms for dissipation in current-carrying superconducting thin films. The pulsed-current method has recently been shown to be an effective tool in studying the dynamics of phase-slip centers and their evolution to hot spots. We use the time-dependent Ginzburg-Landau theory in the study of the dynamics of the superconducting condensate in superconducting strips under external current and zero external magnetic field. We show that both the flux-flow state (i.e., slow-moving vortices) and the phase-slip line state (i.e., fast-moving vortices) are dynamically stable dissipative units with temperature smaller than the critical one, whereas hot spots, which are localized normal regions where the local temperature exceeds the critical value, expand in time, resulting ultimately in a complete destruction of the condensate. The response time of the system to abrupt switching on of the overcritical current decreases with increasing both the value of the current (at all temperatures) and temperature (for a given value of the applied current). Our results are in good qualitative agreement with experiments we have conducted on Nb thin strips.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000344656700003 Publication Date 2014-08-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 42 Open Access
  Notes ; This work was supported by EU Marie Curie Project No. 253057, the Flemish Science Foundation (FWO-Vl), and King Fahd University of Petroleum and Minerals, Saudi Arabia, under the IN131034 DSR project. ; Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:121229 Serial 775
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Author Figuerola, A.; Franchini, I.R.; Fiore, A.; Mastria, R.; Falqui, A.; Bertoni, G.; Bals, S.; Van Tendeloo, G.; Kudera, S.; Cingolani, R.; Manna, L.
  Title End-to-end assembly of shape-controlled nanocrystals via a nanowelding approach mediated by gold domains Type A1 Journal article
  Year 2009 Publication Advanced materials Abbreviated Journal Adv Mater
  Volume 21 Issue (down) 5 Pages 550-554
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Welding nanocrystals for assembly: The welding of Au domains grown on the tips of shape-controlled cadmium chalcogenide colloidal nanocrystals is used as a strategy for their assembly. Iodine-induced coagulation of selectively grown Au domains leads to assemblies such as flowerlike structures based on bullet-shaped nanocrystals, linear and cross-linked chains of nanorods, and globular networks with tetrapods as building blocks.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Weinheim Editor
  Language Wos 000263371800005 Publication Date 2008-11-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0935-9648; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 19.791 Times cited 110 Open Access
  Notes Esteem 026019; Fwo Approved Most recent IF: 19.791; 2009 IF: 8.379
  Call Number UA @ lucian @ c:irua:75960 Serial 1037
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Author Dixit, H.; Tandon, N.; Cottenier, S.; Saniz, R.; Lamoen, D.; Partoens, B.
  Title Erratum : First-principles study of possible shallow donors in ZnAl2O4 spinel [Phys. Rev. B 87, 174101 (2013)] Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 88 Issue (down) 5 Pages 059905-2
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000323572600009 Publication Date 2013-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 1 Open Access
  Notes ; ; Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:110015 Serial 1080
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Author Mishra, R.S.K.; Pandey, D.; Lemmens, H.; Van Tendeloo, G.
  Title Evidence for another low-temperature phase transition in tetragonal Pb(ZrxTi1-x)O3 (x=0.515,0.520) Type A1 Journal article
  Year 2001 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 64 Issue (down) 5 Pages 054104
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Results of dielectric and resonance frequency (f(r)) measurements below room temperature are presented for Pb(ZrxTi1-x)O-3, x = 0.515 and 0.520. It is shown that the temperature coefficient of f(r) changes sign from negative to positive around 210 and 265 K for x = 0.520 and 200 and 260 K for x = 0.515. Anomalies in the real part of the dielectric constant (epsilon') are observed around the same temperatures at which the temperature coefficient of f(r) changes sign because of the electrostrictive coupling between the elastic and dielectric responses. Low-temperature powder x-ray-diffraction (XRD) data, however, reveal only one transition from the tetragonal to monoclinic phase similar to that reported by Noheda et al. [Phys. Rev. B, 61, 8687 (2000)]. Electron-diffraction data, on the other hand, reveal yet another structural transition at lower temperatures corresponding to the second anomaly in the epsilon' vs T and f(r) vs T curves. This second transition is shown to be a cell-doubling transition not observed by Noheda et al. in their XRD studies. The observation of superlattice reflections raises doubts about the correctness of the Cm space group proposed by Noheda et al. for the monoclinic phase of Pb(ZrxTi(1-x))O-3 below the second transition temperature.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lancaster, Pa Editor
  Language Wos 000170267000028 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 UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited Open Access
  Notes Approved Most recent IF: 3.836; 2001 IF: NA
  Call Number UA @ lucian @ c:irua:103407 Serial 1093
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Author Serov, T.V.; Dombrovski, E.N.; Ardashnikova, E.I.; Dolgikh, V.A.; el Omari, M.; el Omari, M.; Abaouz, A.; Senegas, J.; Chaban, N.G.; Abakumov, A.M.; Van Tendeloo, G.
  Title Fluorite-like phases in the BaF2-BiF3-Bi2O3 system-synthesis, conductivity and defect clustering Type A1 Journal article
  Year 2005 Publication Materials research bulletin Abbreviated Journal Mater Res Bull
  Volume 40 Issue (down) 5 Pages 821-830
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000229376500012 Publication Date 2005-03-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0025-5408; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.446 Times cited 4 Open Access
  Notes Iap V-1 Approved Most recent IF: 2.446; 2005 IF: 1.380
  Call Number UA @ lucian @ c:irua:54838 Serial 1240
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Author Pogosov, W.V.; Misko, V.R.; Peeters, F.M.
  Title Geometry-induced localization of thermal fluctuations in ultrathin superconducting structures Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 82 Issue (down) 5 Pages 054523-054523,6
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Thermal fluctuations of the order parameter in an ultrathin triangular-shaped superconducting structure are studied near Tc, in zero applied field. We find that the order parameter is prone to much larger fluctuations in the corners of the structure as compared to its interior. This geometry-induced localization of thermal fluctuations is attributed to the fact that condensate confinement in the corners is characterized by a lower effective dimensionality, which favors stronger fluctuations.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000281294700006 Publication Date 2010-08-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 2 Open Access
  Notes ; This work was supported by the “Odysseus” Program of the Flemish government, FWO-Vl, and the Belgian Science Policy (IAP). W. V. P. acknowledges supports from the RFBR [Project No. 09-02-00248] and the “Dynasty Foundation.” ; Approved Most recent IF: 3.836; 2010 IF: 3.774
  Call Number UA @ lucian @ c:irua:84470 Serial 1334
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Author Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
  Title Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study Type A1 Journal article
  Year 2014 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 89 Issue (down) 5 Pages 054106-54109
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
  Abstract In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000332420900001 Publication Date 2014-03-05
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 5 Open Access
  Notes Fwo; Hercules Approved Most recent IF: 3.836; 2014 IF: 3.736
  Call Number UA @ lucian @ c:irua:114910 Serial 1487
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Author Malo, S.; Lepoittevin, C.; Pérez, O.; Hébert, S.; Van Tendeloo, G.; Hervieu, M.
  Title Incommensurate crystallographic shear structures and magnetic properties of the cation deficient perovskite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29 Type A1 Journal article
  Year 2010 Publication Chemistry of materials Abbreviated Journal Chem Mater
  Volume 22 Issue (down) 5 Pages 1788-1797
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The origin of the incommensurability in the crystallographic shear (CS) structure of the ferri-Manganite (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29, related to the cation deficient perovskite, has been determined by careful analysis of the boundaries between the two variants constituting the phasoid. High Resolution Electron Microscopy/HAADF-STEM images allow the structural mechanisms to be understood through the presence of structural units common to both phases, responsible of the incommensurate character observed in the electron diffraction patterns. The structural analysis allows for identifying different types of CS phases in the Pb−Sr−Fe(Mn)−O diagram and shows that the stabilization of the six-sided tunnels requires a higher A/B cationic ratio. A description of these phases is proposed through simple structural building units (SBU), based on chains of octahedra bordered by two pyramids. The (Sr0.61Pb0.18)(Fe0.75Mn0.25)O2.29 CS compound exhibits a strong antiferromagnetic and insulating behavior, similar to the Fe-2201 and terrace ferrites but differs by the presence of a hysteresis, with a small coercive field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000274929000025 Publication Date 2010-01-19
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0897-4756;1520-5002; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 9.466 Times cited 6 Open Access
  Notes Esteem 026019 Approved Most recent IF: 9.466; 2010 IF: 6.400
  Call Number UA @ lucian @ c:irua:81800 Serial 1593
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Author Ding, J.F.; Lebedev, O.I.; Turner, S.; Tian, Y.F.; Hu, W.J.; Seo, J.W.; Panagopoulos, C.; Prellier, W.; Van Tendeloo, G.; Wu, T.
  Title Interfacial spin glass state and exchange bias in manganite bilayers with competing magnetic orders Type A1 Journal article
  Year 2013 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 87 Issue (down) 5 Pages 054428-7
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract The magnetic properties of manganite bilayers composed of G-type antiferromagnetic (AFM) SrMnO3 and double-exchange ferromagnetic (FM) La0.7Sr0.3MnO3 are studied. A spin-glass state is observed as a result of competing magnetic orders and spin frustration at the La0.7Sr0.3MnO3/SrMnO3 interface. The dependence of the irreversible temperature on the cooling magnetic field follows the Almeida-Thouless line. Although an ideal G-type AFM SrMnO3 is featured with a compensated spin configuration, the bilayers exhibit exchange bias below the spin glass freezing temperature, which is much lower than the Néel temperature of SMO, indicating that the exchange bias is strongly correlated with the spin glass state. The results indicate that the spin frustration that originates from the competition between the AFM super-exchange and the FM double-exchange interactions can induce a strong magnetic anisotropy at the La0.7Sr0.3MnO3/SrMnO3 interface.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000315271200002 Publication Date 2013-02-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 98 Open Access
  Notes FWO; COUNTATOMS; Hercules Approved Most recent IF: 3.836; 2013 IF: 3.664
  Call Number UA @ lucian @ c:irua:107349 Serial 1696
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Author Tsirlin, A.A.; Abakumov, A.M.; Van Tendeloo, G.; Rosner, H.
  Title Interplay of atomic displacement in the quantum magnet (CuCI)LaNb2O7 Type A1 Journal article
  Year 2010 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 82 Issue (down) 5 Pages 054107,1-054107,12
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We report on the crystal structure of the quantum magnet CuClLaNb2O7 that was controversially described with respect to its structural organization and magnetic behavior. Using high-resolution synchrotron powder x-ray diffraction, electron diffraction, transmission electron microscopy, and band-structure calculations, we solve the room-temperature structure of this compound -CuClLaNb2O7 and find two high-temperature polymorphs. The -CuClLaNb2O7 phase, stable above 640 K, is tetragonal with asub=3.889 Å, csub =11.738 Å, and the space group P4/mmm. In the -CuClLaNb2O7 structure, the Cu and Cl atoms are randomly displaced from the special positions along the 100 directions. The phase asub2asubcsub, space group Pbmm and the phase 2asub2asubcsub, space group Pbam are stable between 640 K and 500 K and below 500 K, respectively. The structural changes at 500 and 640 K are identified as order-disorder phase transitions. The displacement of the Cl atoms is frozen upon the → transformation while a cooperative tilting of the NbO6 octahedra in the phase further eliminates the disorder of the Cu atoms. The low-temperature -CuClLaNb2O7 structure thus combines the two types of the atomic displacements that interfere due to the bonding between the Cu atoms and the apical oxygens of the NbO6 octahedra. The precise structural information resolves the controversy between the previous computation-based models and provides the long-sought input for understanding CuClLaNb2O7 and related compounds with unusual magnetic properties.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000280849400001 Publication Date 2010-08-12
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 13 Open Access
  Notes Approved Most recent IF: 3.836; 2010 IF: 3.774
  Call Number UA @ lucian @ c:irua:83991 Serial 1706
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