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Author Meledin, A.; Turner, S.; Cayado, P.; Mundet, B.; Solano, E.; Ricart, S.; Ros, J.; Puig, T.; Obradors, X.; Van Tendeloo, G. url  doi
openurl 
  Title Unique nanostructural features in Fe, Mn-doped YBCO thin films Type A1 Journal article
  Year 2016 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume (down) 29 Issue 29 Pages 125009  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract An attempt to grow a thin epitaxial composite film of YBa2Cu3O7−δ (YBCO) with spinel MnFe2O4 (MFO) nanoparticles on a LAO substrate using the CSD approach resulted in a decomposition of the spinel and various doping modes of YBCO with the Fe and Mn cations. These nanostructural effects lead to a lowering of T c and a slight J c increase in field. Using a combination of advanced transmission electron microscopy (TEM) techniques such as atomic resolution high-angle annular dark field scanning TEM, energy dispersive x-ray spectroscopy and electron energy-loss spectroscopy we have been able to decipher and characterize the effects of the Fe and Mn doping on the film architecture. The YBaCuFeO5 anion-deficient double perovskite phase was detected in the form of 3D inclusions as well as epitaxially grown lamellas within the YBCO matrix. These nano-inclusions play a positive role as pinning centers responsible for the J c/J sf (H) dependency smoothening at high magnetic fields in the YBCO-MFO films with respect to the pristine YBCO films.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000387680100001 Publication Date 2016-10-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited 6 Open Access  
  Notes The authors gratefully acknowledge Prof. Dr. A. Abakumov and Dr. J. Gazquez for discussions and corrections. Part of this work was performed within the framework of the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no. 280432), funded by the European Union. ICMAB research was financed by the Ministry of Economy and Competitiveness, and FEDER funds under the projects MAT2011-28874-C02-01, MAT2014-51778-C2-1-R, ENE2014-56109-C3-3-R and Consolider Nanoselect CSD2007-00041, and by Generalitat de Catalunya (2009 SGR 770, 2015 SGR 753 and Xarmae). ICMAB acknowledges support from Severo Ochoa Program (MINECO, Grant SEV-2015-0496). Approved Most recent IF: 2.878  
  Call Number EMAT @ emat @ c:irua:136444 Serial 4295  
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Author Cariglia, M.; Vargas-Paredes, A.; Doria, M.M.; Bianconi, A.; Milošević, M.V.; Perali, A. doi  openurl
  Title Shape-Resonant Superconductivity in Nanofilms: from Weak to Strong Coupling Type A1 Journal article
  Year 2016 Publication Journal of superconductivity and novel magnetism Abbreviated Journal J Supercond Nov Magn  
  Volume (down) 29 Issue 29 Pages 3081-3086  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Ultrathin superconductors of different materials are becoming a powerful platform to find mechanisms for enhancement of superconductivity, exploiting shape resonances in different superconducting properties. Here, we evaluate the superconducting gap and its spatial profile, the multiple gap components, and the chemical potential, of generic superconducting nanofilms, considering the pairing attraction and its energy scale as tunable parameters, from weak to strong coupling, at fixed electron density. Superconducting properties are evaluated at mean field level as a function of the thickness of the nanofilm, in order to characterize the shape resonances in the superconducting gap. We find that the most pronounced shape resonances are generated for weakly coupled superconductors, while approaching the strong coupling regime the shape resonances are rounded by a mixing of the subbands due to the large energy gaps extending over large energy scales. Finally, we find that the spatial profile, transverse to the nanofilm, of the superconducting gap acquires a flat behavior in the shape resonance region, indicating that a robust and uniform multigap superconducting state can arise at resonance.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000390030600016 Publication Date 2016-08-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1557-1939 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.18 Times cited 11 Open Access  
  Notes ; We acknowledge D. Valentinis, D. Van der Marel, and C. Berthod for useful discussions. A. Ricci is also acknowledged for his comments on the experimental detection of the predictions of this paper. A. Bianconi acknowledges financial support from Superstripes non-profit organization. M. Cariglia acknowledges CNPq support from project (205029 / 2014-0) and FAPEMIG support from project APQ-02164-14. M.M. Doria acknowledges CNPq support from funding (23079.014992 / 2015-39). M.V. Milosevic acknowledges support from Research Foundation – Flanders (FWO). A. Perali acknowledges financial support from the University of Camerino under the project FAR “Control and enhancement of superconductivity by engineering materials at the nanoscale”. All authors acknowledge the collaboration within the MultiSuper Network (http://www.multisuper.org) for exchange of ideas and suggestions. ; Approved Most recent IF: 1.18  
  Call Number UA @ lucian @ c:irua:140347 Serial 4461  
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Author Milovanovic, S.P.; Peeters, F.M. doi  openurl
  Title Strained graphene Hall bar Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume (down) 29 Issue 29 Pages 075601  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effects of strain, induced by a Gaussian bump, on the magnetic field dependent transport properties of a graphene Hall bar are investigated. The numerical simulations are performed using both classical and quantum mechanical transport theory and we found that both approaches exhibit similar characteristic features. The effects of the Gaussian bump are manifested by a decrease of the bend resistance, RB, around zero-magnetic field and the occurrence of side-peaks in RB. These features are explained as a consequence of bump-assisted scattering of electrons towards different terminals of the Hall bar. Using these features we are able to give an estimate of the size of the bump. Additional oscillations in RB are found in the quantum description that are due to the population/depopulation of Landau levels. The bump has a minor influence on the Hall resistance even for very high values of the pseudo-magnetic field. When the bump is placed outside the center of the Hall bar valley polarized electrons can be collected in the leads.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000391584900001 Publication Date 2016-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 12 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. ; Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:140381 Serial 4464  
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Author Peters, J.L.; van den Bos, K.H.W.; Van Aert, S.; Goris, B.; Bals, S.; Vanmaekelbergh, D. pdf  url
doi  openurl
  Title Ligand-Induced Shape Transformation of PbSe Nanocrystals Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 29 Pages 4122-4128  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We present a study of the relation between the surface chemistry and nanocrystal shape of PbSe nanocrystals with a variable Pb-to-Se stoichiometry and density of oleate ligands. The oleate ligand density and binding configuration are monitored by nuclear magnetic resonance and Fourier transform infrared absorbance spectroscopy, allowing us to quantify the number of surface-attached ligands per NC and the nature of the surface−Pb−oleate configuration. The three-dimensional shape of the PbSe nanocrystals is obtained from high-angle annular dark field scanning transmission electron microscopy combined with an atom counting method. We show that the enhanced oleate capping results in a stabilization and extension of the {111} facets, and a crystal shape transformation from a truncated nanocube to a truncated octahedron.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000401221700034 Publication Date 2017-05-09  
  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 45 Open Access OpenAccess  
  Notes D.V. acknowledges the European Research Council, ERC advanced grant, Project 692691-First Step, for financial support. We also acknowledge the Dutch FOM programme “Designing Dirac carriers in honeycomb semiconductor superlattices” (FOM Program 152) for financial support. The authors gratefully acknowledge funding from the Research Foundation Flanders (G.036915, G.037413, and funding of a Ph.D. research grant to K.H.W.v.d.B. and a postdoctoral grant to B.G.). S.B. acknowledges the European Research Council, ERC Grant 335078-Colouratom. (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); ECAS_Sara Approved Most recent IF: 9.466  
  Call Number EMAT @ emat @ c:irua:143750 c:irua:142983UA @ admin @ c:irua:143750 Serial 4571  
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Author Peelaers, H.; Durgun, E.; Partoens, B.; Bilc, D.I.; Ghosez, P.; Van de Walle, C.G.; Peeters, F.M. pdf  doi
openurl 
  Title Ab initio study of hydrogenic effective mass impurities in Si nanowires Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume (down) 29 Issue 29 Pages 095303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The effect of B and P dopants on the band structure of Si nanowires is studied using electronic structure calculations based on density functional theory. At low concentrations a dispersionless band is formed, clearly distinguishable from the valence and conduction bands. Although this band is evidently induced by the dopant impurity, it turns out to have purely Si character. These results can be rigorously analyzed in the framework of effective mass theory. In the process we resolve some common misconceptions about the physics of hydrogenic shallow impurities, which can be more clearly elucidated in the case of nanowires than would be possible for bulk Si. We also show the importance of correctly describing the effect of dielectric confinement, which is not included in traditional electronic structure calculations, by comparing the obtained results with those of G(0)W(0) calculations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000395103900002 Publication Date 2017-01-06  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 1 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl), the NSF MRSEC Program under award No. DMR11-21053, and the Army Research Office (W911NF-13-1-0380). DIB acknowledges financial support from the grant of the Romanian National Authority for Scientific Research, CNCS UEFISCDI, project No. PN-II-RU-TE-2011-3-0085. Ph G acknowledges a research professorship of the Francqui foundation and financial support of the ARC project AIMED and FNRS project HiT4FiT. This research used resources of the Ceci HPC Center funded by F R S-FNRS (Grant No. 2.5020.1) and of the National Energy Research Scientific Computing Center, a DOE Office of Science User Facility supported by the Office of Science of the US Department of Energy under Contract No. DE-AC02-05CH11231. ; Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:142447 Serial 4584  
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Author de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P. pdf  doi
openurl 
  Title Origin of the apparent delocalization of the conduction band in a high-mobility amorphous semiconductor Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume (down) 29 Issue 25 Pages 255702  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract In this paper, we show that the apparent delocalization of the conduction band reported from first-principles simulations for the high-mobility amorphous oxide semiconductor InGaZnO4 (a-IGZO) is an artifact induced by the periodic conditions imposed to the model. Given a sufficiently large unit-cell dimension (over 40 angstrom), the conduction band becomes localized. Such a model size is up to four times the size of commonly used models for the study of a-IGZO. This finding challenges the analyses done so far on the nature of the defects and on the interpretation of numerous electrical measurements. In particular, we re-interpret the meaning of the computed effective mass reported so far in literature. Our finding also applies to materials such as SiZnSnO, ZnSnO, InZnSnO, In2O3 or InAlZnO4 whose models have been reported to display a fully delocalized conduction band in the amorphous phase.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000402434900002 Publication Date 2017-02-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 5 Open Access Not_Open_Access  
  Notes Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:144183 Serial 4676  
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Author Sathiya, M.; Thomas, J.; Batuk, D.; Pimenta, V.; Gopalan, R.; Tarascon, J.-M. pdf  doi
openurl 
  Title Dual stabilization and sacrificial effect of Na2CO3 for increasing capacities of Na-Ion cells based on P2-NaxMO2 electrodes Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 14 Pages 5948-5956  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Sodium ion battery technology is gradually advancing and can be viewed as a viable alternative to lithium ion batteries in niche applications. One of the promising positive electrode candidates is P2 type layered sodium transition metal oxide, which offers attractive sodium ion conductivity. However, the reversible capacity of P2 phases is limited by the inability to directly synthesize stoichiometric compounds with a sodium to transition metal ratio equal to 1. To alleviate this issue, we report herein the in situ synthesis of P2-NaxO2 (x <= 0.7, M = transition metal ions)-Na2CO3 composites. We find that sodium carbonate acts as a sacrificial salt, providing Na+ ion to increase the reversible capacity of the P2 phase in sodium ion full cells, and also as a useful additive that stabilizes the formation of P2 over competing P3 phases. We offer a new phase diagram for tuning the synthesis of the P2 phase under various experimental conditions and demonstrate, by in situ XRD analysis, the role of Na2CO3 as a sodium reservoir in full sodium ion cells. These results provide insights into the practical use of P2 layered materials and can be extended to a variety of other layered phases.  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos 000406573200026 Publication Date 2017-07-03  
  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 26 Open Access Not_Open_Access  
  Notes ; M.S., J.T., and R.G. acknowledge the financial support received from the Department of Science and Technology (DST-SERC), Government of India under the funding from the TRC Grant Agreement No. AI/1/65/ARCI/2014. The authors are thankful to Dr. Sundararajan, Chairman, TRC and Dr. G. Padmanabham, Director, ARCI for helpful discussions. Initial microscopy analysis by Dr. M. B. Sahana, Dr. Prabu, and Mr. Ravi Gautham of ARCI are greatly acknowledged. The elemental analysis by Dr. Domitille Giaume, IRCP – ENSCP, Chimie Paris Tech, Paris is greatly acknowledged. ; Approved Most recent IF: 9.466  
  Call Number UA @ lucian @ c:irua:145759 Serial 4740  
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Author Morozov, V.A.; Batuk, D.; Batuk, M.; Basovich, O.M.; Khaikina, E.G.; Deyneko, D.V.; Lazoryak, B.I.; Leonidov, I.I.; Abakumov, A.M.; Hadermann, J. pdf  doi
openurl 
  Title Luminescence Property Upgrading via the Structure and Cation Changing in AgxEu(2–x)/3WO4and AgxGd(2–x)/3–0.3Eu0.3WO4 Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 20 Pages 8811-8823  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescence properties. AgxEu3+(2−x)/3□(1−2x)/3WO4 and AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4 (x = 0.5−0) scheelite-type phases were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder synchrotron X-ray diffraction. Transmission electron microscopy also revealed the (3 + 1)D incommensurately modulated character of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.286, 0.2) phases. The crystal structures of the scheelite-based AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286, 0.2) red phosphors have been refined from high resolution synchrotron powder X-ray diffraction data. The luminescence properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286,0.2) phosphors show the strongest absorption at 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The excitation spectra of the Eu2/3□1/3WO4 and Gd0.367Eu0.30□1/3WO4 phases exhibit the highest contribution of the charge transfer band at 250 nm and thus the most efficient energy transfer mechanism between the host and the luminescent ion as compared to direct excitation. The emission spectra of all samples indicate an intense red emission due to the 5D0 → 7F2 transition of Eu3+. Concentration dependence of the 5D0 → 7F2 emission for AgxEu(2−x)/3□(1−2x)/3WO4 samples differs from the same dependence for the earlier studied NaxEu3+(2−x)/3□(1−2x)/3MoO4 (0 ≤ x ≤ 0.5) phases. The intensity of the 5D0 → 7F2 emission is reduced almost 7 times with decreasing x from 0.5 to 0, but it practically does not change in the range from x = 0.286 to x = 0.200. The emission spectra of Gd-containing samples show a completely different trend as compared to only Eu-containing samples. The Eu3+ emission under excitation of Eu3+(5L6) level (λex = 395 nm) increases more than 2.5 times with the increasing Gd3+ concentration from 0.2 (x = 0.5) to 0.3 (x = 0.2) in the AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4, after which it remains almost constant for higher Gd3+ concentrations.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000413884900028 Publication Date 2017-10-24  
  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 7 Open Access Not_Open_Access  
  Notes This research was supported by FWO (project G039211N), Flanders Research Foundation. V.A.M. is grateful for financial support of the Russian Foundation for Basic Research (Grant 15-03-07741). E.G.K. and O.M.B. are grateful for financial support of the Russian Foundation for Basic Research (Grants 13-03-01020 and 16-03-00510). D.V.D. is grateful for financial support of the Russian Foundation for Basic Research (Grant 16-33-00197) and the Foundation of the President of the Russian Federation (Grant MK-7926.2016.5.). We are grateful to the ESRF for granting the beamtime. Experimental support of Andy Fitch at the ID31 beamline of ESRF is kindly acknowledged. Approved Most recent IF: 9.466  
  Call Number EMAT @ emat @c:irua:147241 Serial 4768  
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Author Jacquet, Q.; Perez, A.; Batuk, D.; Van Tendeloo, G.; Rousse, G.; Tarascon, J.-M. url  doi
openurl 
  Title The Li3RuyNb1-yO4 (0 ≤y≤ 1) System: Structural Diversity and Li Insertion and Extraction Capabilities Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 12 Pages 5331-5343  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Searching for novel high-capacity electrode materials combining cationic and anionic redox processes is an ever-growing activity within the field of Li-ion batteries. In this respect, we report on the exploration of the Li3RuyNb1-yO4 (O <= y <= 1) system with an O/M ratio of 4 to maximize the number of oxygen lone pairs, responsible for the anionic redox. We show that this system presents a very rich crystal chemistry with the existence of four structural types, which derive from the rocksalt structure but differ in their cationic arrangement, creating either zigzag, helical, jagged chains or clusters. From an electrochemical standpoint, these compounds are active on reduction via a classical cationic insertion process. The oxidation process is more complex, because of the instability of the delithiated phase. Our results promote the use of the rich Li3MO4 family as a viable platform for a better understanding of the relationships between structure and anionic redox activity.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000404493100036 Publication Date 2017-06-27  
  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 17 Open Access Not_Open_Access  
  Notes The authors thank Paul Pearce, Alexis Grimaud, Matthieu Saubanere, and Marie-Liesse Doublet for fruitful discussions, Vivian Nassif for her help in neutron diffraction experiment at the D1B diffractometer at ILL, and Dominique Foix for XPS analysis. 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. Q.J. thanks the ANR “Deli-Redox” for Ph.D. funding. J.-M.T. and D.B. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant -Project 670116-ARPEMA. Approved Most recent IF: 9.466  
  Call Number EMAT @ emat @c:irua:147506 Serial 4776  
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Author Abdullah, H.M.; Van Duppen, B.; Zarenia, M.; Bahlouli, H.; Peeters, F.M. pdf  doi
openurl 
  Title Quantum transport across van der Waals domain walls in bilayer graphene Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat  
  Volume (down) 29 Issue 42 Pages 425303  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Bilayer graphene can exhibit deformations such that the two graphene sheets are locally detached from each other resulting in a structure consisting of domains with different van der Waals inter-layer coupling. Here we investigate how the presence of these domains affects the transport properties of bilayer graphene. We derive analytical expressions for the transmission probability, and the corresponding conductance, across walls separating different inter-layer coupling domains. We find that the transmission can exhibit a valley-dependent layer asymmetry and that the domain walls have a considerable effect on the chiral tunnelling properties of the charge carriers. We show that transport measurements allow one to obtain the strength with which the two layers are coupled. We perform numerical calculations for systems with two domain walls and find that the availability of multiple transport channels in bilayer graphene significantly modifies the conductance dependence on inter-layer potential asymmetry.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000410958400001 Publication Date 2017-07-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.649 Times cited 15 Open Access  
  Notes ; HMA and HB acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group projects RG1502-1 and RG1502-2. This work is supported by the Flemish Science Foundation (FWO-VI) by a post-doctoral fellowship (BVD). ; Approved Most recent IF: 2.649  
  Call Number UA @ lucian @ c:irua:146664 Serial 4793  
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Author Verchenko, V.Y.; Wei, Z.; Tsirlin, A.A.; Callaert, C.; Jesche, A.; Hadermann, J.; Dikarev, E.V.; Shevelkov, A.V. pdf  url
doi  openurl
  Title Crystal growth of the Nowotny chimney ladder phase Fe2Ge3 : exploring new Fe-based narrow-gap semiconductor with promising thermoelectric performance Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 23 Pages 9954-9963  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('A new synthetic approach based on chemical transport reactions has been introduced to obtain the Nowotny chimney ladder phase Fe2Ge3 in the form of single crystals and polycrystalline powders. The single crystals possess the stoichiometric composition and the commensurate chimney ladder structure of the Ru2Sn3 type in contrast to the polycrystalline samples that are characterized by a complex microstructure. In compliance with the 18-n electron counting rule formulated for T-E intermetallics, electronic structure calculations reveal a narrow-gap semiconducting behavior of Fe2Ge3 favorable for high thermoelectric performance. Measurements of transport and thermoelectric properties performed on the polycrystalline samples confirm the formation of a narrow band gap of similar to 30 meV and reveal high absolute values of the Seebeck coefficient at elevated temperatures. Low glass-like thermal conductivity is observed in a wide temperature range that might be caused by the underlying complex microstructure.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos 000418206600013 Publication Date 2017-11-14  
  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 11 Open Access OpenAccess  
  Notes ; The authors thank Dr. Sergey Kazakov and Oleg Tyablikov for their help with the PXRD experiments. V.Y.V. appreciates the help of Dr. Sergey Dorofeev in provision and handling of the Mo(CO)<INF>6</INF> reagent. The work is supported by the Russian Science Foundation, Grant No. 17-13-01033. V.Y.V. appreciates the support from the European Regional Development Fund, Project No. TK134. A.A.T. acknowledges financial support by the Federal Ministry for Education and Research under the Sofia Kovalevskaya Award of the Alexander von Humboldt Foundation. E.V.D. thanks the National Science Foundation, Grant No. CHE-1152441. C.C. acknowledges the support from the University of Antwerp through the BOF Grant No. 31445. ; Approved Most recent IF: 9.466  
  Call Number UA @ lucian @ c:irua:148531 Serial 4869  
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Author Arias-Duque, C.; Bladt, E.; Munoz, M.A.; Hernandez-Garrido, J.C.; Cauqui, M.A.; Rodriguez-Izquierdo, J.M.; Blanco, G.; Bals, S.; Calvino, J.J.; Perez-Omil, J.A.; Yeste, M.P. url  doi
openurl 
  Title Improving the redox response stability of ceria-zirconia nanocatalysts under harsh temperature conditions Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 29 Pages 9340-9350  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('By depositing ceria on the surface of yttrium stabilized zirconia (YSZ) nanocrystals and further activation under high-temperature reducing conditions, a 13% mol. CeO2/YSZ catalyst structured as subnanometer thick, pyrochlore-type, ceria-zirconia islands has been prepared. This nanostructured catalyst depicts not only high oxygen storage capacity (OSC) values but, more importantly, an outstandingly stable redox response upon oxidation and reduction treatments at very high temperatures, above 1000 degrees C. This behavior largely improves that observed on conventional ceria-zirconia solid solutions, not only of the same composition but also of those with much higher molar cerium contents. Advanced scanning transmission electron microscopy (STEM-XEDS) studies have revealed as key not only to detect the actual state of the lanthanide in this novel nanocatalyst but also to rationalize its unusual resistance to redox deactivation at very high temperatures. In particular, high-resolution X-ray dispersive energy studies have revealed the presence of unique bilayer ceria islands on top of the surface of YSZ nanocrystals, which remain at surface positions upon oxidation and reduction treatments up to 1000 degrees C. Diffusion of ceria into the bulk of these crystallites upon oxidation at 1100 degrees C irreversibly deteriorates both the reducibility and OSC of this nanostructured catalyst.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos 000415911600047 Publication Date 2017-10-10  
  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 20 Open Access OpenAccess  
  Notes ; Financial support from MINECO/FEDER (Project ref: MAT2013-40823-R), Junta de Andalucia (FQM334 and FQM110), and EU FP7 (ESTEEM2) are acknowledged. E.B. and S.B. acknowledges financial support from European Research Council (ERC- Starting Grant #33S078-COLOURA-TOM). J.C.H.-G. acknowledges support from the Ramon y Cajal Fellowships Program of MINECO (RYC-2012-10004). ; Approved Most recent IF: 9.466  
  Call Number UA @ lucian @ c:irua:147706UA @ admin @ c:irua:147706 Serial 4880  
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Author Savina, A.A.; Morozov, V.A.; Buzlukov, A.L.; Arapova, I.Y.; Stefanovich, S.Y.; Baklanova, Y.V.; Denisova, T.A.; Medvedeva, N.I.; Bardet, M.; Hadermann, J.; Lazoryak, B.I.; Khaikina, E.G. url  doi
openurl 
  Title New solid electrolyte Na9Al(MoO4)6 : structure and Na+ ion conductivity Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 20 Pages 8901-8913  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Solid electrolytes are important materials with a wide range of technological applications. This work reports the crystal structure and electrical properties of a new solid electrolyte Na9Al(MoO4)(6). The monoclinic Na9Al(MoO4)(6) consists of isolated polyhedral, [Al(MoO4)(6)](9-) clusters composed of a central AlO6 octahedron sharing vertices with six MoO4 tetrahedra to form a three-dimensional framework. The AlO6 octahedron also shares edges with one NalO(6) octahedron and two Na2O(6) octahedra. Na3-Na5 atoms are located in the framework cavities. The structure is related to that of sodium ion conductor II-Na3Fe2(AsO4)(3). High-temperature conductivity measurements revealed that the conductivity (sigma) of Na9Al(MoO4)(6) at 803 K equals 1.63 X 10(-2) S cm(-1). The temperature behavior of the Na-23 and Al-27 nuclear magnetic resonance spectra and the spin-lattice relaxation rates of the Na-23 nuclei indicate the presence of fast Na+ ion diffusion in the studied compound. At T\u003C490 K, diffusion occurs by means of Na+ ion jumps exclusively through the sublattice of Na3-Na5 positions, whereas Na1 and Na2 become involved in the diffusion processes (through chemical exchange with the Na3-Na5 sublattice) only at higher temperatures.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos 000413884900037 Publication Date 2017-09-26  
  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 13 Open Access OpenAccess  
  Notes ; The research was performed within the state assignment of FASO of Russia (Themes 01201463330, A16-116122810214-9, and 0339-2016-0007), supported in part by the Russian Foundation for Basic Research (Projects 16-03-00510, 16-03-00164, and 17-03-00333). ; Approved Most recent IF: 9.466  
  Call Number UA @ lucian @ c:irua:147432 Serial 4886  
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Author Pimenta, V.; Sathiya, M.; Batuk, D.; Abakumov, A.M.; Giaume, D.; Cassaignon, S.; Larcher, D.; Tarascon, J.-M. pdf  doi
openurl 
  Title Synthesis of Li-Rich NMC : a comprehensive study Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 23 Pages 9923-9936  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract <script type='text/javascript'>document.write(unpmarked('Li-rich NMC are considered nowadays as one of the most promising candidates for high energy density cathodes. One significant challenge is nested in adjusting their synthesis conditions to reach optimum electrochemical performance, but no consensus has been reached yet on the ideal synthesis protocol. Herein, we revisited the elaboration of Li-rich NMC electrodes by focusing on the science involved through each synthesis steps using carbonate Ni0.1625Mn0.675Co0.1625CO3 precursor coprecipitation combined with solid state synthesis. We demonstrated the effect of precursors concentration on the kinetics of the precipitation reaction and provided clues to obtain spherically agglomerated NMC carbonates of different sizes. Moreover, we highlighted the strong impact of the Li2CO3/NMC carbonate ratio on the morphology and particles size of Li-rich NMC and subsequently on their electrochemical performance. Ratio of 1.35 was found to reproducibly give the best performance with namely a first discharge capacity of 269 mAh g(-1) and capacity retention of 89.6% after 100 cycles. We hope that our results, which reveal how particle size, morphology, and phase composition affect the materials electrochemical performance, will help in reconciling literature data while providing valuable fundamental information for up scaling approaches.'));  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos 000418206600010 Publication Date 2017-11-08  
  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 23 Open Access Not_Open_Access  
  Notes ; The authors acknowledge the French Research Network on Electrochemical Energy Storage (RS2E). V.P and J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant-Project 670116-ARPEMA. The authors are thankful to Dr. G. Rousse for the help on Rietveld refinements. ; Approved Most recent IF: 9.466  
  Call Number UA @ lucian @ c:irua:148530 Serial 4899  
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Author Zhang, R.; Wu, Z.; Li, X.J.; Li, L.L.; Chen, Q.; Li, Y.-M.; Peeters, F.M. pdf  doi
openurl 
  Title Fano resonances in bilayer phosphorene nanoring Type A1 Journal article
  Year 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume (down) 29 Issue 21 Pages 215202  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Tunable transport properties and Fano resonances are predicted in a circular bilayer phosphorene nanoring. The conductance exhibits Fano resonances with varying incident energy and applied perpendicular magnetic field. These Fano resonance peaks can be accurately fitted with the well known Fano curves. When a magnetic field is applied to the nanoring, the conductance oscillates periodically with magnetic field which is reminiscent of the Aharonov-Bohm effect. Fano resonances are tightly related to the discrete states in the central nanoring, some of which are tunable by the magnetic field.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000428920200001 Publication Date 2018-03-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 4 Open Access  
  Notes ; This work was supported by Grant No. 2017YFA0303400 from the National Key R&D Program of China, the Flemish Science Foundation, the grants No. 2016YFE0110000, No. 2015CB921503, and No. 2016YFA0202300 from the MOST of China, the NSFC (Grants Nos. 11504366, 11434010, 61674145 and 61774168) and CAS (Grants No. QYZDJ-SSW-SYS001). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:150713UA @ admin @ c:irua:150713 Serial 4968  
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Author Aierken, Y.; Sevik, C.; Gulseren, O.; Peeters, F.M.; Çakir, D. pdf  url
doi  openurl
  Title In pursuit of barrierless transition metal dichalcogenides lateral heterojunctions Type A1 Journal article
  Year 2018 Publication Nanotechnology Abbreviated Journal Nanotechnology  
  Volume (down) 29 Issue 29 Pages 295202  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract There is an increasing need to understand interfaces between two-dimensional materials to realize an energy efficient boundary with low contact resistance and small heat dissipation. In this respect, we investigated the impact of charge and substitutional atom doping on the electronic transport properties of the hybrid metallic-semiconducting lateral junctions, formed between metallic (1T and 1T(d)) and semiconducting (1H) phases of MoS2 by means of first-principles and non-equilibrium Green function formalism based calculations. Our results clearly revealed the strong influence of the type of interface and crystallographic orientation of the metallic phase on the transport properties of these systems. The Schottky barrier height, which is the dominant mechanism for contact resistance, was found to be as large as 0.63 eV and 1.19 eV for holes and electrons, respectively. We found that armchair interfaces are more conductive as compared to zigzag termination due to the presence of the metallic Mo zigzag chains that are directed along the transport direction. In order to manipulate these barrier heights we investigated the influence of electron doping of the metallic part (i.e. 1T(d) -MoS2). We observed that the Fermi level of the hybrid system moves towards the conduction band of semiconducting 1H-MoS2 due to filling of 4d-orbital of metallic MoS2, and thus the Schottky barrier for electrons decreases considerably. Besides electron doping, we also investigated the effect of substitutional doping of metallic MoS2 by replacing Mo atoms with either Re or Ta. Due to its valency, Re (Ta) behaves as a donor (acceptor) and reduces the Schottky barrier for electrons (holes). Since Re and Ta based transition metal dichalcogenides crystallize in either the 1T(d) or 1T phase, substitutional doping with these atom favors the stabilization of the 1T(d) phase of MoS2. Co-doping of hybrid structure results in an electronic structure, which facilities easy dissociation of excitons created in the 1H part.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000432823800002 Publication Date 2018-05-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.44 Times cited 4 Open Access  
  Notes ; This work was supported by the bilateral project between the The Scientific and Technological Research Council of Turkey (TUBITAK) and FWO-Flanders, Flemish Science Foundation (FWO-VI) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TRGrid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA) a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. We acknowledge the support from TUBITAK (Grant No. 115F024). ; Approved Most recent IF: 3.44  
  Call Number UA @ lucian @ c:irua:151451UA @ admin @ c:irua:151451 Serial 5029  
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Author Van Tendeloo, L.; Wangermez, W.; Vandekerkhove, A.; Willhammar, T.; Bals, S.; Maes, A.; Martens, J.A.; Kirschhock, C.E.A.; Breynaert, E. url  doi
openurl 
  Title Postsynthetic high-alumina zeolite crystal engineering in organic free hyper-alkaline media Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 29 Pages 629-638  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Postsynthetic modification of high -alumina zeolites in hyper alkaline media can be tailored toward alteration of framework topology, crystal size and morphology, or desired Si/A1 ratio. FAU, EMT, MAZ, KFI, HEU, and LTA starting materials were treated with 1.2 M MOH (M = Na, K, RE, or Cs), leading to systematic ordered porosity or fully transformed frameworks with new topology and adjustable Si/Al ratio. In addition to the versatility of this tool for zeolite crystal engineering, these alterations improve understanding of the crystal chemistry. Such knowledge can guide further development in zeolite crystal engineering. Postsynthetic alteration also provides insight on the long-term stability of aluminosilicate zeolites that are used as a sorption sink in concrete -based waste disposal facilities in harsh alkaline conditions.  
  Address  
  Corporate Author Thesis  
  Publisher American Chemical Society Place of Publication Washington, D.C Editor  
  Language Wos 000392891700021 Publication Date 2016-12-20  
  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 16 Open Access OpenAccess  
  Notes ; This work was supported by long-term structural funding by the Flemish Government (Methusalem grant of Prof. J. Martens) and by ONDRAF/NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). S.B. acknowledges financial support from European Research Council (ERC Advanced Grant No. 24691-COUNTATOMS, ERC Starting Grant No. 335078-COLOURATOMS). ; Ecas_Sara Approved Most recent IF: 9.466  
  Call Number UA @ lucian @ c:irua:152674UA @ admin @ c:irua:152674 Serial 5145  
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Author Scarabelli, L.; Schumacher, M.; Jimenez de Aberasturi, D.; Merkl, J.‐P.; Henriksen‐Lacey, M.; Milagres de Oliveira, T.; Janschel, M.; Schmidtke, C.; Bals, S.; Weller, H.; Liz‐Marzán, L.M. pdf  url
doi  openurl
  Title Encapsulation of Noble Metal Nanoparticles through Seeded Emulsion Polymerization as Highly Stable Plasmonic Systems Type A1 Journal article
  Year 2019 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater  
  Volume (down) 29 Issue 29 Pages 1809071  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The implementation of plasmonic nanoparticles in vivo remains hindered by important limitations such as biocompatibility, solubility in biological fluids, and physiological stability. A general and versatile protocol is presented, based on seeded emulsion polymerization, for the controlled encapsulation of gold and silver nanoparticles. This procedure enables the encapsulation of single nanoparticles as well as nanoparticle clusters inside a protecting polymer shell. Specifically, the efficient coating of nanoparticles of both metals is demonstrated, with final dimensions ranging between 50 and 200 nm, i.e., sizes of interest for bio-applications. Such hybrid nanocomposites display extraordinary stability in high ionic strength and oxidizing environments, along with high cellular uptake, and low cytotoxicity. Overall, the prepared nanostructures are promising candidates for plasmonic applications under biologically relevant conditions.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000467109100024 Publication Date 2019-02-11  
  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 19 Open Access OpenAccess  
  Notes L.S. and M.S. contributed equally to this work. This work was supported by the Spanish MINECO (Grant MAT2017-86659-R), by the German Research Foundation (DFG, Grant LA 2901/1-1) and by the European Research Council (Grant 335078 COLOURATOM to S.B). The authors acknowledge funding from the European Commission Grant (EUSMI 731019 to S.B., L.M.L.-M). L.S. acknowledges funding from the American-Italian Cancer Foundation through a Post-Doctoral Research Fellowship. D.J.d.A. thanks MINECO for a Juan de la Cierva fellowship (IJCI-2015-24264). J.P.M. was financed by Verband der Chemischen Industrie e.V. (VCI). The authors thank Dr. Artur Feld, Dr. Andreas Kornowski and Stefan Werner (Institute of Physical Chemistry, University of Hamburg) for their support. Approved Most recent IF: 12.124  
  Call Number EMAT @ emat @UA @ admin @ c:irua:160710 Serial 5190  
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Author Nerl, H.C.; Pokle, A.; Jones, L.; Müller‐Caspary, K.; Bos, K.H.W.; Downing, C.; McCarthy, E.K.; Gauquelin, N.; Ramasse, Q.M.; Lobato, I.; Daly, D.; Idrobo, J.C.; Van Aert, S.; Van Tendeloo, G.; Sanvito, S.; Coleman, J.N.; Cucinotta, C.S.; Nicolosi, V. pdf  url
doi  openurl
  Title Self‐Assembly of Atomically Thin Chiral Copper Heterostructures Templated by Black Phosphorus Type A1 Journal article
  Year 2019 Publication Advanced functional materials Abbreviated Journal Adv Funct Mater  
  Volume (down) 29 Issue 37 Pages 1903120  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000478478400001 Publication Date 2019-07-17  
  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 1 Open Access OpenAccess  
  Notes European Research Council, 2DNanoCaps TC2D CoG 3D2DPrint CoG Picometrics grant agreement No. 770887; Engineering and Physical Sciences Research Council, EP/P033555/1 EP/R029431 ; Science Foundation Ireland, HPC1600932 ; Approved Most recent IF: 12.124  
  Call Number EMAT @ emat @c:irua:161901 Serial 5362  
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Author Janssens, K.; de Nolf, W.; van der Snickt, G.; Vincze, L.; Vekemans, B.; Terzano, R.; Brenker, F.E. doi  openurl
  Title Recent trends in quantitative aspects of microscopic X-ray fluorescence analysis Type A1 Journal article
  Year 2010 Publication Trends in analytical chemistry Abbreviated Journal Trac-Trend Anal Chem  
  Volume (down) 29 Issue 6 Pages 464-478  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000279235000014 Publication Date 2010-03-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0165-9936 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.442 Times cited 48 Open Access  
  Notes ; This research was supported by the Interuniversity Attraction Poles Programme-Belgian Science Policy (IUAP VI/16). The text also presents results of FWO (Brussels, Belgium) projects nr. G.0704.08 and G.0179.09 and from the UA-BOF GOA programme. ; Approved Most recent IF: 8.442; 2010 IF: 6.602  
  Call Number UA @ admin @ c:irua:83903 Serial 5806  
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Author Janssens, K.; Vittiglio, G.; Deraedt, I.; Aerts, A.; Vekemans, B.; Vincze, L.; Wei, F.; de Ryck, I.; Schalm, O.; Adams, F.; Rindby, A.; Knöchel, A.; Simionovici, A.S.; Snigirev, A. doi  openurl
  Title Use of microscopic XRF for non-destructive analysis in art an archaeometry Type A1 Journal article
  Year 2000 Publication X-ray spectrometry Abbreviated Journal X-Ray Spectrom  
  Volume (down) 29 Issue Pages 73-91  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000085107800010 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0049-8246 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.298 Times cited Open Access  
  Notes Approved Most recent IF: 1.298; 2000 IF: 1.478  
  Call Number UA @ admin @ c:irua:27561 Serial 5897  
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Author Minjauw, M.M.; Solano, E.; Sree, S.P.; Asapu, R.; Van Daele, M.; Ramachandran, R.K.; Heremans, G.; Verbruggen, S.W.; Lenaerts, S.; Martens, J.A.; Detavernier, C.; Dendooven, J. pdf  doi
openurl 
  Title Plasma-enhanced atomic layer deposition of silver using Ag(fod)(PEt3) and NH3-plasma Type A1 Journal article
  Year 2017 Publication Chemistry of materials Abbreviated Journal Chem Mater  
  Volume (down) 29 Issue 17 Pages 7114-7121  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract A plasma-enhanced atomic layer deposition (ALD) process using the Ag(fod)(PEt3) precursor [(triethylphosphine)(6,6,7,7,8,8,8-heptafluoro-2,2-dimethy1-3,5-octanedionate)silver(I)] in combination with NH3-plasma is reported. The steady growth rate of the reported process (0.24 +/- 0.03 nm/cycle) was found to be 6 times larger than that of the previously reported Ag ALD process based on the same precursor in combination with H-2-plasma (0.04 +/- 0.02 nm/cycle). The ALD characteristics of the H-2-plasma and NH3-plasma processes were verified. The deposited Ag films were polycrystalline face-centered cubic Ag for both processes. The film morphology was investigated by ex situ scanning electron microscopy and grazing-incidence small-angle X-ray scattering, and it was found that films grown with the NH3-plasma process exhibit a much higher particle areal density and smaller particle sizes on oxide substrates compared to those deposited using the H-2-plasma process. This control over morphology of the deposited Ag is important for applications in catalysis and plasmonics. While films grown with the H-2-plasma process had oxygen impurities (similar to 9 atom %) in the bulk, the main impurity for the NH3-plasma process was nitrogen (similar to 7 atom %). In situ Fourier transform infrared spectroscopy experiments suggest that these nitrogen impurities are derived from NH surface groups generated during the NH3-plasma, which interact with the precursor molecules during the precursor pulse. We propose that the reaction of these surface groups with the precursor leads to additional deposition of Ag atoms during the precursor pulse compared to the H-2-plasma process, which explains the enhanced growth rate of the NH3-plasma process.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000410868600012 Publication Date 2017-08-09  
  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 9 Open Access  
  Notes ; M.M.M. and J.D. acknowledge the Fonds Wetenschappelijk Onderzoek Vlaanderen (FWO Vlaanderen) for financial support through a personal research grant. We also acknowledge FWO Vlaanderen for providing project funding for this work. We are grateful to the ESRF staff for smoothly running the synchrotron and beamline facilities. We also thank Olivier Janssens for performing the SEM measurements and Stefaan Broekaert for mechanical assistance. J.A.M. acknowledges the Flemish Government for long-term structural funding (Methusalem). ; Approved Most recent IF: 9.466  
  Call Number UA @ admin @ c:irua:146757 Serial 5983  
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Author Jorli, M.; Van Passel, S.; Saghdel, H.S. pdf  doi
openurl 
  Title External costs from fossil electricity generation : a review of the applied impact pathway approach Type A1 Journal article
  Year 2018 Publication Energy & Environment Abbreviated Journal Energ Environ-Uk  
  Volume (down) 29 Issue 5 Pages 635-648  
  Keywords A1 Journal article; Engineering Management (ENM)  
  Abstract This paper reviews and compares 11 studies that have estimated external costs of fossil electricity generation by benefits transfer. These studies include 13 countries and most of these countries are developing countries. The impact pathway approach is applied to estimate the environmental impact arising from fossil fuel-fired power plant's air emission and the related damages on human health. The estimated damages are used to value the monetary external costs from fossil fuel electricity generation. The estimated external costs in the 13 countries vary from 0.51 to 213.5 USD (2005) per MWh due to differences in fossil fuel quality, location, technology, and efficiency of power plants and additionally differences in assumptions, monetization values, and impact estimations. Accounting for these externalities can indicate the actual costs of fossil energy. The results can be applied by policy makers to take measures to avoid additional costs and to apply newer and cleaner energy sources. The described methods in the selected studies for estimating the external costs with respect to incomplete local data can be applied as a useful example for other developing countries.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000440685300001 Publication Date 2018-03-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0958-305x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.302 Times cited 3 Open Access  
  Notes ; ; Approved Most recent IF: 0.302  
  Call Number UA @ admin @ c:irua:153136 Serial 6201  
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Author Sun, S.R.; Wang, H.X.; Bogaerts, A. pdf  url
doi  openurl
  Title Chemistry reduction of complex CO2chemical kinetics: application to a gliding arc plasma Type A1 Journal article
  Year 2020 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T  
  Volume (down) 29 Issue 2 Pages 025012  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A gliding arc (GA) plasma has great potential for CO2 conversion into value-added chemicals, because of its high energy efficiency. To improve the application, a 2D/3D fluid model is needed to investigate the CO2 conversion mechanisms in the actual discharge geometry. Therefore, the complex CO2 chemical kinetics description must be reduced due to the huge computational cost associated with 2D/3D models. This paper presents a chemistry reduction method for CO2 plasmas, based on the so-called directed relation graph method. Depending on the defined threshold values, some marginal species are identified. By means of a sensitivity analysis, we can further reduce the chemistry set by removing one by one the marginal species. Based on the socalled flux-sensitivity coupling, we obtain a reduced CO2 kinetics model, consisting of 36 or 15 species (depending on whether the 21 asymmetric mode vibrational states of CO2 are explicitly included or lumped into one group), which is applied to a GA discharge. The results are compared with those predicted with the full chemistry set, and very good agreement is reached. Moreover, the range of validity of the reduced CO2 chemistry set is checked, telling us that this reduced set is suitable for low power GA discharges. Finally, the time and spatial evolution of the CO2 plasma characteristics are presented, based on a 2D model with the reduced kinetics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000525600600001 Publication Date 2020-02-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.8 Times cited Open Access  
  Notes We acknowledge financial support from the Fund for Scientific Research Flanders (FWO; Grant No. G.0383.16 N). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. This work was also supported by the National Natural Science Foundation of China. (Grant Nos. 11735004, 11575019). SR Sun thanks the financial support from the National Postdoctoral Program for Innovative Talents (BX20180029). Approved Most recent IF: 3.8; 2020 IF: 3.302  
  Call Number PLASMANT @ plasmant @c:irua:167135 Serial 6338  
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Author van ‘t Veer, K.; Reniers, F.; Bogaerts, A. pdf  url
doi  openurl
  Title Zero-dimensional modeling of unpacked and packed bed dielectric barrier discharges: the role of vibrational kinetics in ammonia synthesis Type A1 Journal article
  Year 2020 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T  
  Volume (down) 29 Issue 4 Pages 045020  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract We present a zero-dimensional plasma kinetics model, including both surface and gas phase kinetics, to determine the role of vibrationally excited states in plasma-catalytic ammonia synthesis. We defined a new method to systematically capture the conditions of dielectric barrier discharges (DBDs), including those found in packed bed DBDs. We included the spatial and temporal nature of such discharges by special consideration of the number of micro-discharges in the model. We introduce a parameter that assigns only a part of the plasma power to the microdischarges, to scale the model conditions from filamentary to uniform plasma. Because of the spatial and temporal behaviour of the micro-discharges, not all micro-discharges occurring in the plasma reactor during a certain gas residence time are affecting the molecules. The fraction of power considered in the model ranges from 0.005 %, for filamentary plasma, to 100 %, for uniform plasma. If vibrational excitation is included in the plasma chemistry, these different conditions, however, yield an ammonia density that is only varying within one order of magnitude. At only 0.05 % of the power put into the uniform plasma component, a model neglecting vibrational excitation clearly does not result in adequate amounts of ammonia. Thus, our new model, which accounts for the concept in which not all the power is deposited by the micro-discharges, but some part may also be distributed in between them, suggests that vibrational kinetic processes are really important in (packed bed) DBDs. Indeed, vibrational excitation takes place in both the uniform plasma between the micro-discharges and in the strong micro-discharges, and is responsible for an increased N2 dissociation rate. This is shown here for plasma-catalytic ammonia synthesis, but might also be valid for other gas conversion applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000570241500001 Publication Date 2020-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.8 Times cited Open Access  
  Notes This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. The authors would also like to thank Dr. Fatme Jardali for the discussions on plasma kinetic modelling and Dr. Jungmi Hong and Dr. Anthony B. Murphy for their aid in the calculation of the diffusion coefficients. Approved Most recent IF: 3.8; 2020 IF: 3.302  
  Call Number PLASMANT @ plasmant @c:irua:168097 Serial 6359  
Permanent link to this record
 

 
Author Zhang, H.; Zhang, H.; Trenchev, G.; Li, X.; Wu, Y.; Bogaerts, A. pdf  url
doi  openurl
  Title Multi-dimensional modelling of a magnetically stabilized gliding arc plasma in argon and CO2 Type A1 Journal article
  Year 2020 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T  
  Volume (down) 29 Issue 4 Pages 045019  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract This study focuses on a magnetically stabilized gliding arc (MGA) plasma. Two fully coupled flow-plasma models (in 3D and 2D) are presented. The 3D model is applied to compare the arc dynamics of the MGA with a traditional gas-driven gliding arc. The 2D model is used for a detailed parametric study on the effect of the external magnetic field. The results show that the relative velocity between the plasma and feed gas is generated due to the Lorentz force, which can increase the plasma-treated gas fraction. The magnetic field also helps to decrease the gas temperature by enhancing heat transfer and to increase the electron number density. This work shows the potential of an external magnetic field to control the gliding arc behavior, for enhanced gas conversion at low gas flow rates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000570241800001 Publication Date 2020-04-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.8 Times cited Open Access  
  Notes Fonds Wetenschappelijk Onderzoek, G.0383.16N ; National Natural Science Foundation of China, 51706204 51707144 ; State Key Laboratory of Electrical Insulation and Power Equipment, EIPE19302 ; The authors acknowledge financial support from the Fund for Scientific Research—Flanders (FWO; Grant G.0383.16 N), National Natural Science Foundation of China under Grant Nos. 51706204, 51707144, and State Key Laboratory of Electrical Insulation and Power Equipment (EIPE19302). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), and Universiteit Antwerpen. Finally, Hantian Zhang acknowledges financial support from the China Scholarship Council. Approved Most recent IF: 3.8; 2020 IF: 3.302  
  Call Number PLASMANT @ plasmant @c:irua:169218 Serial 6360  
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Author Verheyen, C.; Silva, T.; Guerra, V.; Bogaerts, A. pdf  url
doi  openurl
  Title The effect of H2O on the vibrational populations of CO2in a CO2/H2O microwave plasma: a kinetic modelling investigation Type A1 Journal article
  Year 2020 Publication Plasma Sources Science & Technology Abbreviated Journal Plasma Sources Sci T  
  Volume (down) 29 Issue 9 Pages 095009  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma has been studied for several years to convert CO2 into value-added products. If CO2 could be converted in the presence of H2O as a cheap H-source for making syngas and oxygenates, it would mimic natural photosynthesis. However, CO2/H2O plasmas have not yet been extensively studied, not by experiments, and certainly not computationally. Therefore, we present here a kinetic modelling study to obtain a greater understanding of the vibrational kinetics of a CO2/H2O microwave plasma. For this purpose, we first created an electron impact cross section set for H2O, using a swarm-derived method. We added the new cross section set and CO2/H2O-related chemistry to a pure CO2 model. While it was expected that H2O addition mainly causes quenching of the CO2 asymmetric mode vibrational levels due to the additional CO2/H2O vibrational-translational relaxation, our model shows that the modifications in the vibrational kinetics are mainly induced by the strong electron dissociative attachment to H2O molecules, causing a reduction in electron density, and the corresponding changes in the input of energy into the CO2 vibrational levels by electron impact processes.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000570601300001 Publication Date 2020-09-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1361-6595 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.8 Times cited Open Access  
  Notes Fonds Wetenschappelijk Onderzoek, 1184820N ; Fundação para a Ciência e a Tecnologia, under projects UIDB/50010/2020 and ; This research was supported by FWO–PhD fellowshipaspirant, Grant 1184820N. VG and TS were partially supported by the Portuguese FCT, under projects UIDB/50010/2020 and UIDP/50010/2020 Approved Most recent IF: 3.8; 2020 IF: 3.302  
  Call Number PLASMANT @ plasmant @c:irua:172011 Serial 6433  
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Author Prabhakara, V.; Nuytten, T.; Bender, H.; Vandervorst, W.; Bals, S.; Verbeeck, J. pdf  url
doi  openurl
  Title Linearized radially polarized light for improved precision in strain measurements using micro-Raman spectroscopy Type A1 Journal article
  Year 2021 Publication Optics Express Abbreviated Journal Opt Express  
  Volume (down) 29 Issue 21 Pages 34531  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Strain engineering in semiconductor transistor devices has become vital in the semiconductor industry due to the ever-increasing need for performance enhancement at the nanoscale. Raman spectroscopy is a non-invasive measurement technique with high sensitivity to mechanical stress that does not require any special sample preparation procedures in comparison to characterization involving transmission electron microscopy (TEM), making it suitable for inline strain measurement in the semiconductor industry. Indeed, at present, strain measurements using Raman spectroscopy are already routinely carried out in semiconductor devices as it is cost effective, fast and non-destructive. In this paper we explore the usage of linearized radially polarized light as an excitation source, which does provide significantly enhanced accuracy and precision as compared to linearly polarized light for this application. Numerical simulations are done to quantitatively evaluate the electric field intensities that contribute to this enhanced sensitivity. We benchmark the experimental results against TEM diffraction-based techniques like nano-beam diffraction and Bessel diffraction. Differences between both approaches are assigned to strain relaxation due to sample thinning required in TEM setups, demonstrating the benefit of Raman for nondestructive inline testing.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000708940500144 Publication Date 2021-10-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1094-4087 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.307 Times cited 2 Open Access OpenAccess  
  Notes Horizon 2020 Framework Programme, 823717 – ESTEEM3 ; GOA project, “Solarpaint” ; Herculesstichting;; esteem3jra; esteem3reported; Approved Most recent IF: 3.307  
  Call Number EMAT @ emat @c:irua:182472 Serial 6816  
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Author Martínez-Dueñas, E.J.R.; de Jong van Coevorden, C.M.; Stukach, O.V.; Panokin, N.V.; Gielis, J.; Caratelli, D. url  doi
openurl 
  Title Electromagnetic modeling and design of a novel class of complementary split‐ring resonators Type A1 Journal article
  Year 2019 Publication International journal of RF and microwave computer-aided engineering Abbreviated Journal  
  Volume (down) 29 Issue 4 Pages e21582  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This research study reports the assessment of complementary split ring resonators based on Gielis transformation as basic elements for the design of high‐performance microwave components in printed technology. From the electromagnetic simulation of said structures, suitable equivalent circuit models are extracted and analyzed. Physical prototypes are fabricated and tested for design validation. The obtained results confirm that the adoption of supershaped geometries enables the synthesis of very compact scalable microwave filters.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000460308500020 Publication Date 2018-11-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1096-4290 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:155021 Serial 7867  
Permanent link to this record
 

 
Author Christis, M.; Geerken, T.; Vercalsteren, A.; Vrancken, K.C.M. pdf  doi
openurl 
  Title Improving footprint calculations of small open economies : combining local with multi-regional input-output tables Type A1 Journal article
  Year 2017 Publication Economic systems research Abbreviated Journal  
  Volume (down) 29 Issue 1 Pages 25-47  
  Keywords A1 Journal article; Economics; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In a small, open and resource-poor economy, import and export dependency have an ever-growing impact on local policy decisions, which makes local (environmental) policy-makers increasingly depend on global data. This increases the interest in models that link local production and consumption data to global production, trade and environmental data. The recent increase in availability of global environmentally extended multi-regional input-output tables (EE-MRIO tables) provides an opportunity to link them with existing local environmentally extended input-output tables (EE-RIO tables). These combined tables make it possible (1) to analyse the links between local and global production and consumption and (2) to study global value chains, material use and environmental impacts simultaneously. However, estimations using input-output (I-O) analyses contain errors due to imperfect databases. In this article the magnitude of specification, aggregation and time errors are estimated and compared. The results show the need to combine local datasets with multi-regional ones and show that highest detailed (country and sector levels) as well as time series of I-O tables are the way forward for using I-O analyses in local policy-making. The paper provides guidance on trading off investments in model adoption and/or extension and the reliability of estimation results.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000395062800002 Publication Date 2016-11-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-5314 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved no  
  Call Number UA @ admin @ c:irua:142012 Serial 8071  
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