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Author Crippa, F.; Rodriguez-Lorenzo, L.; Hua, X.; Goris, B.; Bals, S.; Garitaonandia, J.S.; Balog, S.; Burnand, D.; Hirt, A.M.; Haeni, L.; Lattuada, M.; Rothen-Rutishauser, B.; Petri-Fink, A.
Title Phase transformation of superparamagnetic iron oxide nanoparticles via thermal annealing : implications for hyperthermia applications Type A1 Journal article
Year 2019 Publication ACS applied nano materials Abbreviated Journal (up)
Volume 2 Issue 2 Pages 4462-4470
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Magnetic hyperthermia has the potential to play an important role in cancer therapy and its efficacy relies on the nanomaterials selected. Superparamagnetic iron oxide nanoparticles (SPIONs) are excellent candidates due to the ability of producing enough heat to kill tumor cells by thermal ablation. However, their heating properties depend strongly on crystalline structure and size, which may not be controlled and tuned during the synthetic process; therefore, a postprocessing is needed. We show how thermal annealing can be simultaneously coupled with ligand exchange to stabilize the SPIONs in polar solvents and to modify their crystal structure, which improves hyperthermia behavior. Using high-resolution transmission electron microscopy, X-ray diffraction, Mossbauer spectroscopy, vibrating sample magnetometry, and lock-in thermography, we systematically investigate the impact of size and ligand exchange procedure on crystallinity, their magnetism, and heating ability. We describe a valid and simple approach to optimize SPIONs for hyperthermia by carefully controlling the size, colloidal stability, and crystallinity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000477917700048 Publication Date 2019-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 18 Open Access Not_Open_Access
Notes ; This work was supported by the Swiss National Science Foundation through the National Center of Competence in Research Bio-Inspired Materials, the Adolphe Merkle Foundation, the University of Fribourg, and the European Society for Molecular Imaging (Grant E141200643). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161927 Serial 5393
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Author Srivastava, A.; Van Passel, S.; Laes, E.
Title Assessing the success of electricity demand response programs : a meta-analysis Type A1 Journal article
Year 2018 Publication Energy Research and Social Science Abbreviated Journal (up)
Volume 40 Issue 40 Pages 110-117
Keywords A1 Journal article; Economics; Engineering Management (ENM)
Abstract This paper conducts a meta-analysis of 32 electricity demand response programs in the residential sector to understand whether their success is dependent on specific characteristics. The paper analyses several regression models using various combinations of variables that capture the designs of the programs and the socio-economic conditions in which the programs are implemented. The analysis reveals that demand response programs are more likely to succeed in highly urbanized areas, in areas where economic growth rates are high, and in areas where the renewable energy policy is favorable. These findings provide useful guidance in determining where and how to implement future demand response programs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000430737800014 Publication Date 2017-12-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2214-6296 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor Times cited 18 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:149027 Serial 6154
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Author Grzelczak, M.; Sanchez-Iglesias, A.; Heidari, H.; Bals, S.; Pastoriza-Santos, I.; Perez-Juste, J.; Liz-Marzan, L.M.
Title Silver Ions Direct Twin-Plane Formation during the Overgrowth of Single-Crystal Gold Nanoparticles Type A1 Journal article
Year 2016 Publication ACS Omega Abbreviated Journal (up)
Volume 1 Issue 1 Pages 177-181
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract It is commonly agreed that the crystalline structure of seeds dictates the crystallinity of final nanoparticles in a seeded-growth process. Although the formation of monocrystalline particles does require the use of single-crystal seeds, twin planes may stem from either single-or polycrystalline seeds. However, experimental control over twin-plane formation remains difficult to achieve synthetically. Here, we show that a careful interplay between kinetics and selective surface passivation offers a unique handle over the emergence of twin planes (in decahedra and triangles) during the growth over single-crystalline gold nanoparticles of quasi-spherical shape. Twinning can be suppressed under conditions of slow kinetics in the presence of silver ions, yielding single-crystalline particles with high-index facets.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000391203300002 Publication Date 2016-08-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2470-1343;2470-1343; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 18 Open Access OpenAccess
Notes ; This work was supported by the Spanish Ministerio de Economia y Competitividad MINECO (grants: MAT2013-46101-R, MAT2013-49375-EXP, MAT2013-45168-R). Financial support is acknowledged by the European Research Council (ERC Advanced Grant # 267867, PLASMAQUO; ERC Starting Grant #335078-COLOURATOM). ; ecas_Sara Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:140398 Serial 4446
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Author Ren, X.-N.; Hu, Z.-Y.; Jin, J.; Wu, L.; Wang, C.; Liu, J.; Liu, F.; Wu, M.; Li, Y.; Van Tendeloo, G.; Su, B.-L.
Title Cocatalyzing Pt/PtO phase-junction nanodots on hierarchically porous TiO2 for highly enhanced photocatalytic hydrogen production Type A1 Journal article
Year 2017 Publication ACS applied materials and interfaces Abbreviated Journal (up) Acs Appl Mater Inter
Volume 9 Issue 35 Pages 29687-29698
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Phase-junctions. between a cocatalyst and its semiconductor host are quite effective to enhance the photo catalytic activity and are widely studied, while reports on the phase-juncted cocatalyst are still rare. In this work, we report the deposition of the Pt/PtO phase-juncted nanodots as cocatalyst via NaOH modification of an interconnected meso-macroporous TiO2 network with high surface area and inner-particle mesopores to enhance the performance of photocatalytic H-2 production. Our results show that NaOH modification can largely influence Pt/PtO phase-juncted nanodot formation and dispersity. Compared to the TiO2 nano particles, the hierarchically meso-macroporous TiO2 network containing 0.18 wt % Pt/PtO phase-juneted cocatalyst demonstrates a highest photocatalytic H-2 rate of 13 mmol g(-1) h(-1) under simulated solar light, and possesses a stable cycling activity without obvious decrease after five cycles. Such high H-2 production performance can be attributed to both the phase-juncted Pt/PtO providing more active sites while PtO suppresses the undesirable hydrogen back reaction, and the special hierarchically porous TiO2 network with inner-particle mesopores presenting short diffusion path lengths for photogenerated electrons and enhanced light harvesting efficiency. This work suggests that Pt/PtO phase-juncted cocatalyst on hierarchically porous TiO2 nanostructures is a promising strategy for advanced photocatalytic H-2 production.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000410597500032 Publication Date 2017-08-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1944-8244 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7.504 Times cited 18 Open Access OpenAccess
Notes ; B.L.S. acknowledges the Chinese Central Government for an “Expert of the State” position in the Program of the “Thousand Talents”. Y.L. acknowledges the Hubei Provincial Department of Education for the “Chutian Scholar” program. This work is supported by the National Key Research and Development Program of China (2016YFA0202602), Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52), International Science & Technology Cooperation Program of China (2015DFE52870), National Natural Science Foundation of China (51502225), and the Fundamental Research Funds for the Central Universities (WUT: 2016III029). Z.Y.H. and G.V.T. acknowledge support from the EC Framework 7 program ESTEEM2 (Reference 312483). ; Approved Most recent IF: 7.504
Call Number UA @ lucian @ c:irua:146765 Serial 4779
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Author Theofanidis, S.A.; Galvita, V.V.; Poelman, H.; Dharanipragada, N.V.R.A.; Longo, A.; Meledina, M.; Van Tendeloo, G.; Detavernier, C.; Marin, G.B.
Title Fe-containing magnesium aluminate support for stability and carbon control during methane reforming Type A1 Journal article
Year 2018 Publication ACS catalysis Abbreviated Journal (up) Acs Catal
Volume 8 Issue 7 Pages 5983-5995
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We report a MgFexAl2-xO4 synthetic spinel, where x varies from 0 to 0.26, as support for Ni-based catalysts, offering stability and carbon control under various conditions of methane reforming. By incorporation of Fe into a magnesium aluminate spine!, a support is created with redox functionality and high thermal stability, as concluded from temporal analysis of products (TAP) experiments and redox cycling, respectively. A diffusion coefficient of 3 x 10(-17) m(2) s(-1) was estimated for lattice oxygen at 993 K from TAP experiments. X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) modeling identified that the incorporation of iron occurs as Fe3+ in the octahedral sites of the spinel lattice, replacing aluminum. Simulation of the X-ray absorption near edge structure (XANES) spectrum of the reduced support showed that 60 +/- 10% of iron was reduced from 3+ to 2+ at 1073 K, while there was no formation of metallic iron. A series of Ni/MgFexAl2-xO4 catalysts, where x varies from 0 to 0.26, was synthesized and reduced, yielding a supported Ni-Fe alloy. The evolution of the catalyst structure during H-2 temperature-programmed reduction (TPR) and CO2 temperature-programmed oxidation (TPO) was examined using time-resolved in situ XRD and XANES. During reforming, iron in both the support and alloy keeps control of carbon accumulation, as confirmed by O-2-TPO on the spent catalysts. By fine tuning the amount of Fe in MgFexAl2-xO4, a supported alloy was obtained with a Ni/Fe molar ratio of similar to 10, which was active for reforming and stable. By comparison of the performance of Ni-based catalysts with Fe either incorporated into or deposited onto the support, the location of Fe within the support proved crucial for the stability and carbon mitigation under reforming conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000438475100034 Publication Date 2018-05-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.614 Times cited 18 Open Access OpenAccess
Notes ; This work was supported by the FAST industrialization by Catalyst Research and Development (FASTCARD) project, which is a Large Scale Collaborative Project supported by the European Commission in the 7th Framework Programme (GA no 604277), the “Long Term Structural Methusalem Funding by the Flemish Government”, the Interuniversity Attraction Poles Programme, IAP7/5, Belgian State – Belgian Science Policy, and the Fund for Scientific Research Flanders (FWO-Vlaanderen) in supplying financing of travel costs and beam time at the DUBBLE beamline of the ESRF. The authors acknowledge the assistance from the DUBBLE (ESRF, XAS campaign 26-01-1048) and ROCK staff (SOLEIL, proposal 201502561). The authors equally acknowledge support from a public grant overseen by the French National Research Agency (ANR) as part of the “Investissements d'Avenir” program (reference: ANR-10-EQPX-45) for the ROCK beamline and from Lukas Buelens and Rakesh Batchu (Laboratory for Chemical Technology, Ghent University) for the STEM measurements and TAP experiments, respectively. ; Approved Most recent IF: 10.614
Call Number UA @ lucian @ c:irua:153178 Serial 5102
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Author Hadermann, J.; Van Tendeloo, G.; Abakumov, A.M.
Title Transmission electron microscopy and structural phase transitions in anion-deficient perovskite-based oxides Type A1 Journal article
Year 2005 Publication Acta crystallographica: section A: foundations of crystallography Abbreviated Journal (up) Acta Crystallogr A
Volume 61 Issue 1 Pages 77-92
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Copenhagen Editor
Language Wos 000225865500008 Publication Date 2004-12-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0108-7673; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.725 Times cited 18 Open Access
Notes Approved Most recent IF: 5.725; 2005 IF: 1.791
Call Number UA @ lucian @ c:irua:51442 Serial 3706
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Author Chen, B.; Gauquelin, N.; Jannis, D.; Cunha, D.M.; Halisdemir, U.; Piamonteze, C.; Lee, J.H.; Belhadi, J.; Eltes, F.; Abel, S.; Jovanovic, Z.; Spreitzer, M.; Fompeyrine, J.; Verbeeck, J.; Bibes, M.; Huijben, M.; Rijnders, G.; Koster, G.
Title Strain-engineered metal-to-insulator transition and orbital polarization in nickelate superlattices integrated on silicon Type A1 Journal article
Year 2020 Publication Advanced Materials Abbreviated Journal (up) Adv Mater
Volume Issue Pages 2004995
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Epitaxial growth of SrTiO3 (STO) on silicon greatly accelerates the monolithic integration of multifunctional oxides into the mainstream semiconductor electronics. However, oxide superlattices (SLs), the birthplace of many exciting discoveries, remain largely unexplored on silicon. In this work, LaNiO3/LaFeO3 SLs are synthesized on STO-buffered silicon (Si/STO) and STO single-crystal substrates, and their electronic properties are compared using dc transport and X-ray absorption spectroscopy. Both sets of SLs show a similar thickness-driven metal-to-insulator transition, albeit with resistivity and transition temperature modified by the different amounts of strain. In particular, the large tensile strain promotes a pronounced Ni 3dx2-y2 orbital polarization for the SL grown on Si/STO, comparable to that reported for LaNiO3 SL epitaxially strained to DyScO3 substrate. Those results illustrate the ability to integrate oxide SLs on silicon with structure and property approaching their counterparts grown on STO single crystal, and also open up new prospects of strain engineering in functional oxides based on the Si platform.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000588146500001 Publication Date 2020-11-11
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 29.4 Times cited 18 Open Access OpenAccess
Notes ; This work is supported by the international M-ERA.NET project SIOX (project 4288) and H2020 project ULPEC (project 732642). M.S. acknowledges funding from Slovenian Research Agency (Grants No. J2-9237 and No. P2-0091). This work received support from the ERC CoG MINT (#615759) and from a PHC Van Gogh grant. M.B. thanks the French Academy of Science and the Royal Netherlands Academy of Arts and Sciences for supporting his stays in the Netherlands. This project has received funding as a transnational access project from the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717 – ESTEEM3. N.G. and J.V. acknowledge GOA project “Solarpaint” of the University of Antwerp. ; esteem3TA; esteem3reported Approved Most recent IF: 29.4; 2020 IF: 19.791
Call Number UA @ admin @ c:irua:173516 Serial 6617
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Author Bings, N.H.; Bogaerts, A.; Broekaert, J.A.C.
Title Atomic spectroscopy Type A1 Journal article
Year 2002 Publication Analytical chemistry Abbreviated Journal (up) Anal Chem
Volume 74 Issue 12 Pages 2691-2712
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000176253700006 Publication Date 2002-07-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 18 Open Access
Notes Approved Most recent IF: 6.32; 2002 IF: 5.094
Call Number UA @ lucian @ c:irua:40192 Serial 194
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Author Lindner, H.; Autrique, D.; Garcia, C.C.; Niemax, K.; Bogaerts, A.
Title Optimized transport setup for high repetition rate pulse-separated analysis in laser ablation-inductively coupled plasma mass spectrometry Type A1 Journal article
Year 2009 Publication Analytical chemistry Abbreviated Journal (up) Anal Chem
Volume 81 Issue 11 Pages 4241-4248
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract An optimized laser ablation setup, proposed for high repetition rate inductively coupled plasma mass spectrometry (ICPMS) analyses such as 2D imaging or depth profiling, is presented. For such applications, the particle washout time needs to be as short as possible to allow high laser pulse frequencies for reduced analysis time. Therefore, it is desirable to have an ablation setup that operates as a laminar flow reactor (LFR). A top-down strategy was applied that resulted in the present design. In the first step, a previously applied ablation setup was analyzed on the basis of computational fluid dynamics (CFD) results presented by D. Autrique et al. (Spectrochim. Acta, B 2008, 63, 257−270). By means of CFD simulations, the design was modified in such a way that it operated in the LFR regime. Experimental results demonstrate that the current design can indeed be regarded as an LFR. Furthermore, the operation under LFR conditions allowed some insight into the initial radial concentration distribution if the experimental ICPMS signal and analytical expressions are taken into account. Recommendations for a modified setup for more resilient spatial distributions are given. With the present setup, a washout time of 140 ms has been achieved for a 3% signal area criterion. Therefore, 7 Hz repetition rates can be applied with the present setup. Using elementary formulas of the analytical model, an upper bound for the washout times for similar setups can be predicted. The authors believe that the presented setup geometry comes close to the achievable limit for reliable short washout times.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000266601800014 Publication Date 2009-04-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700;1520-6882; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 18 Open Access
Notes Approved Most recent IF: 6.32; 2009 IF: 5.214
Call Number UA @ lucian @ c:irua:76935 Serial 2492
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Author Anaf, W.; Trashin, S.; Schalm, O.; van Dorp, D.; Janssens, K.; De Wael, K.
Title Electrochemical photodegradation study of semiconductor pigments : influence of environmental parameters Type A1 Journal article
Year 2014 Publication Analytical chemistry Abbreviated Journal (up) Anal Chem
Volume 86 Issue 19 Pages 9742-9748
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
Abstract Chemical transformations in paintings often induce discolorations, disturbing the appearance of the image. For an appropriate conservation of such valuable and irreplaceable heritage objects, it is important to have a good know-how on the degradation processes of the (historical) materials: which pigments have been discolored, what are the responsible processes, and which (environmental) conditions have the highest impact on the pigment degradation and should be mitigated. Pigment degradation is already widely studied, either by analyzing historical samples or by accelerated weathering experiments on dummies. However, in historic samples several processes may have taken place, increasing the complexity of the current state, while aging experiments are time-consuming due to the often extended aging period. An alternative method is proposed for a fast monitoring of degradation processes of semiconductor pigments, using an electrochemical setup mimicking the real environment and allowing the identification of harmful environmental parameters for each pigment. Examples are given for the pigments cadmium yellow (CdS) and vermilion (α-HgS).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000343017100058 Publication Date 2014-08-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.32 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 6.32; 2014 IF: 5.636
Call Number UA @ admin @ c:irua:118834 Serial 5593
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Author Leusink, D.P.; Coneri, F.; Hoek, M.; Turner, S.; Idrissi, H.; Van Tendeloo, G.; Hilgenkamp, H.
Title Thin films of the spin ice compound Ho2Ti2O7 Type A1 Journal article
Year 2014 Publication APL materials Abbreviated Journal (up) Apl Mater
Volume 2 Issue 3 Pages 032101-32107
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The pyrochlore compounds Ho2Ti2O7 and Dy2Ti2O7 show an exotic form of magnetism called the spin ice state, resulting from the interplay between geometrical frustration and ferromagnetic coupling. A fascinating feature of this state is the appearance of magnetic monopoles as emergent excitations above the degenerate ground state. Over the past years, strong effort has been devoted to the investigation of these monopoles and other properties of the spin ice state in bulk crystals. Here, we report the fabrication of Ho2Ti2O7 thin films using pulsed laser deposition on yttria-stabilized ZrO2 substrates. We investigated the structural properties of these films by X-ray diffraction, scanning transmission electron microscopy, and atomic force microscopy, and the magnetic properties by vibrating sample magnetometry at 2 K. The films not only show a high crystalline quality, but also exhibit the hallmarks of a spin ice: a pronounced magnetic anisotropy and an intermediate plateau in the magnetization along the [111] crystal direction.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000334220300002 Publication Date 2014-03-04
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 18 Open Access
Notes The authors acknowledge support from the Dutch FOM and NWO foundations and from the European Union under the Framework 7 program under a contract from an Integrated Infrastructure Initiative (Reference 312483 ESTEEM2). G.V.T. acknowledges the ERC Grant N246791- COUNTATOMS. S.T. gratefully acknowledges financial support from the Fund for Scientific Research Flanders (FWO). H.I. acknowledges the IAP program of the Belgian State Federal Office for Scientific, Technical and Cultural Affairs under Contract No. P7/21. The microscope used in this study was partially financed by the Hercules Foundation of the Flemish Government. The authors acknowledge fruitful interactions with A. Brinkman, M. G. Blamire, M. Egilmez, F. J. G. Roesthuis, J. N. Beukers, C. G. Molenaar, M. Veldhorst, and X. Renshaw Wang; esteem2_ta Approved Most recent IF: 4.335; 2014 IF: NA
Call Number UA @ lucian @ c:irua:115555 Serial 3641
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Author Neek-Amal, M.; Peeters, F.M.
Title Effect of grain boundary on the buckling of graphene nanoribbons Type A1 Journal article
Year 2012 Publication Applied physics letters Abbreviated Journal (up) Appl Phys Lett
Volume 100 Issue 10 Pages 101905-101905,4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573]
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000301655500021 Publication Date 2012-03-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 18 Open Access
Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ; Approved Most recent IF: 3.411; 2012 IF: 3.794
Call Number UA @ lucian @ c:irua:97794 Serial 809
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Author Milovanović, S.P.; Masir, M.R.; Peeters, F.M.
Title Interplay between snake and quantum edge states in a graphene Hall bar with a pn-junction Type A1 Journal article
Year 2014 Publication Applied physics letters Abbreviated Journal (up) Appl Phys Lett
Volume 105 Issue 12 Pages 123507
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The magneto- and Hall resistance of a locally gated cross shaped graphene Hall bar is calculated. The edge of the top gate is placed diagonally across the center of the Hall cross. Four-probe resistance is calculated using the Landauer-Büttiker formalism, while the transmission coefficients are obtained using the non-equilibrium Green's function approach. The interplay between transport due to edge channels and snake states is investigated. When two edge channels are occupied, we predict oscillations in the Hall and the bend resistance as function of the magnetic field, which are a consequence of quantum interference between the occupied snake states.
Address
Corporate Author Thesis
Publisher American Institute of Physics Place of Publication New York, N.Y. Editor
Language Wos 000343004400090 Publication Date 2014-09-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951;1077-3118; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 18 Open Access
Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN and the Methusalem Foundation of the Flemish government. Approved Most recent IF: 3.411; 2014 IF: 3.302
Call Number UA @ lucian @ c:irua:121119 Serial 1704
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Author Jannis, D.; Müller-Caspary, K.; Béché, A.; Oelsner, A.; Verbeeck, J.
Title Spectroscopic coincidence experiments in transmission electron microscopy Type A1 Journal article
Year 2019 Publication Applied physics letters Abbreviated Journal (up) Appl Phys Lett
Volume 114 Issue 14 Pages 143101
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract We demonstrate the feasibility of coincidence measurements on a conventional transmission electron microscope, revealing the temporal

correlation between electron energy loss spectroscopy (EELS) and energy dispersive X-ray (EDX) spectroscopy events. We make use of a

delay line detector with ps-range time resolution attached to a modified EELS spectrometer. We demonstrate that coincidence between both

events, related to the excitation and deexcitation of atoms in a crystal, provides added information not present in the individual EELS or

EDX spectra. In particular, the method provides EELS with a significantly suppressed or even removed background, overcoming the many

difficulties with conventional parametric background fitting as it uses no assumptions on the shape of the background, requires no user input

and does not suffer from counting noise originating from the background signal. This is highly attractive, especially when low concentrations

of elements need to be detected in a matrix of other elements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000464450200022 Publication Date 2019-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.411 Times cited 18 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, G093417 ; Horizon 2020 Framework Programme, 823717 ESTEEM3 ; Helmholtz Association, VH-NG-1327 ; Approved Most recent IF: 3.411
Call Number EMAT @ emat @UA @ admin @ c:irua:159155 Serial 5168
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Author Van Dael, M.; Marquez, N.; Reumerman, P.; Pelkmans, L.; Kuppens, T.; Van Passel, S.
Title Development and techno-economic evaluation of a biorefinery based on biomass (waste) streams : case study in the Netherlands Type A1 Journal article
Year 2014 Publication Biofuels Bioproducts & Biorefining-Biofpr Abbreviated Journal (up) Biofuel Bioprod Bior
Volume 8 Issue 5 Pages 635-644
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract In this paper, the technical and economic advantages of combining conversion technologies into a multi-dimensional plant primarily using regional biomass residues are investigated. The main objective is to show how locally available biomass can be used more efficiently as a source for renewable energy and bio-based products. Therefore, not only is the theoretical perspective considered, but also a reality check for the local situation is taken into account. Although industrial attitude toward biorefineries is positive, the efficient production of a portfolio of bio-based products has not yet been implemented. A biorefinery concept for Moerdijk (the Netherlands) was developed, focusing on grass refining, production of pyrolysis oil, biodiesel production, and bio-LNG production. Grass refining is the most experimental technique of all proposed conversion techniques. In terms of development, pyrolysis oil and bio-LNG production are in the demonstration phase. Anaerobic digestion and biodiesel production are proven techniques. It is shown that this concept allows for synergies with regard to the utilization of residue flows from internal processes. Furthermore, it is demonstrated that by integrating different conversion technologies, an economically feasible concept can be developed in which technologies, currently residing in a demonstration phase, can also be brought to the market. (c) 2013 Society of Chemical Industry and John Wiley & Sons, Ltd
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000342662200015 Publication Date 2013-11-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-104x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.694 Times cited 18 Open Access
Notes ; We would like to thank the editor and the anonymous referees for their helpful suggestions and insightful comments that have significantly improved the paper. The Energy Conversion Parks (ECP) project is funded by the Interreg IVa – Flanders-Netherlands program from the European Fund for Regional Development that stimulates cross-border projects. Also the Dutch Ministry of Economic Affairs, the Flemish Government, the Provinces of Noord-Brabant (NL), Zeeland (NL), Limburg (BE) and the partners (VITO, Avans University of Applied Sciences, Wageningen University and Research, Hasselt University, and Zeeland University of Applied Sciences) themselves are co-financing the project. We also would like to express our gratitude toward the organization of the 2nd Iberoamerican Congress on Biorefineries in Jaen (Spain) for giving us the opportunity to present and thereby fine-tune our work. ; Approved Most recent IF: 3.694; 2014 IF: 4.214
Call Number UA @ admin @ c:irua:127541 Serial 6180
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Author Brault, P.; Neyts, E.C.
Title Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering Type A1 Journal article
Year 2015 Publication Catalysis today Abbreviated Journal (up) Catal Today
Volume 256 Issue 256 Pages 3-12
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Magnetron sputtering is a widely used physical vapor deposition technique for deposition and formation of nanocatalyst thin films and clusters. Nevertheless, so far only few studies investigated this formation process at the fundamental level. We here review atomic scale molecular dynamics simulations aimed at elucidating the nanocatalyst growth process through magnetron sputtering. We first introduce the basic magnetron sputtering background and machinery of molecular dynamics simulations, and then describe the studies conducted in this field so far. We also present a perspective view on how the field may be developed further.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000360085300002 Publication Date 2015-02-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0920-5861; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.636 Times cited 18 Open Access
Notes Approved Most recent IF: 4.636; 2015 IF: 3.893
Call Number c:irua:127408 Serial 2174
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Author Wang, Y.; Sentosun, K.; Li, A.; Coronado-Puchau, M.; Sánchez-Iglesias, A.; Li, S.; Su, X.; Bals, S.; Liz-Marzán, L.M.
Title Engineering Structural Diversity in Gold Nanocrystals by Ligand-Mediated Interface Control Type A1 Journal article
Year 2015 Publication Chemistry of materials Abbreviated Journal (up) Chem Mater
Volume 27 Issue 27 Pages 8032-8040
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Surface and interface control is fundamentally important for crystal growth engineering, catalysis, surface enhanced spectroscopies, and self-assembly, among other processes and applications. Understanding the role of ligands in regulating surface properties of plasmonic metal nanocrystals during growth has received considerable attention. However, the underlying mechanisms and the diverse functionalities of ligands are yet to be fully addressed. In this contribution,

we report a systematic study of ligand-mediated interface control in seeded growth of gold nanocrystals, leading to diverse and exotic nanostructures with an improved surface enhanced Raman scattering (SERS) activity. Three dimensional transmission electron microscopy (3D TEM) revealed an intriguing gold shell growth process mediated by the bifunctional ligand 1,4-benzenedithiol (BDT), which leads to a unique crystal growth mechanism as compared to other ligands, and subsequently to the concept of interfacial energy control mechanism. Volmer-Weber growth mode was proposed to be responsible for BDT-mediated seeded growth, favoring the strongest interfacial energy and generating an asymmetric island growth pathway with internal crevices/gaps. This additionally favors incorporation of BDT at the plasmonic nanogaps, thereby generating strong SERS activity with a maximum efficiency for a core-semishell configuration obtained along seeded growth. Numerical modeling was used to explain this observation. Interestingly, the same strategy can be used to engineer the structural diversity of this system, by using gold nanoparticle seeds with various sizes and shapes, and varying the [Au3+]/[Au0] ratio. This rendered a series of diverse and exotic plasmonic nanohybrids such as semishell-coated gold nanorods, with embedded Raman-active tags and Janus surface with distinct surface functionalities.

These would greatly enrich the plasmonic nanostructure toolbox for various studies and applications such as anisotropic nanocrystal engineering, SERS, and high-resolution Raman bioimaging or nanoantenna devices.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000366223200023 Publication Date 2015-10-09
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 18 Open Access OpenAccess
Notes The authors thank Bart Goris for his help with electron tomography. This work was funded by the European Commission (Grant #310445-2, SAVVY). The authors acknowledge financial support from European Research Council (ERC Advanced Grant # 267867- PLASMAQUO, ERC Starting Grant #335078-COLOURATOMS). The authors also appreciate financial support from the European Union under the Seventh Framework Program (Integrated Infrastructure Initiative N. 262348 European Soft Matter Infrastructure, ESMI). Wang Y. and Su X. would like to acknowledge the Agency for Science, Technology and Research (A*STAR), Singapore, for the financial support under the Grant JCO 14302FG096. M. C.-P. acknowledges an FPU scholarship from the Spanish Ministry of Education, Culture and Sports.; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); Approved Most recent IF: 9.466; 2015 IF: 8.354
Call Number c:irua:129598 c:irua:129598 Serial 3972
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Author Pop, N.; Pralong, V.; Caignaert, V.; Colin, J.F.; Malo, S.; Van Tendeloo, G.; Raveau, B.
Title Topotactic transformation of the cationic conductor Li4Mo5O17 into a rock salt type oxide Li12Mo5O17 Type A1 Journal article
Year 2009 Publication Chemistry of materials Abbreviated Journal (up) Chem Mater
Volume 21 Issue 14 Pages 3242-3250
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Intercalation of lithium in the ribbon structure Li4Mo5O17 has been achieved, using both electrochemistry and soft chemistry. The ab initio structure determination of the ¡°Mo−O¡± framework of Li12Mo5O17 shows that the [Mo5O17]¡Þ ribbons keep the same arrangement of edge sharing MoO6 octahedra and the same orientation as in the parent structure but that a topotactic antidistortion of the ribbons appears, as a result of the larger size of Mo4+ in ¡°Li12¡± compared to Mo6+ in ¡°Li4¡±. On the basis of bond valence calculations, it is observed that 12 octahedral sites are available for Li+ in the new structure so that an ordered hypothetical rock salt type structure can be proposed for Li12Mo5O17. After the first Li insertion, a stable reversible capacity of 100 mA¡¤h/g is maintained after 20 cycles. A complete structural reversibility leading back to the ribbon type Li4Mo5O17 structure is obtained using a very low rate of C/100. The exploration of the Li mobility in those oxides shows that Li4Mo5O17 is a cationic conductor with ¦Ò = 10−3.5 S/cm at 500 ¡ãC and Ea = 0.35 eV.
Address
Corporate Author Thesis
Publisher Place of Publication Washington, D.C. Editor
Language Wos 000268174400032 Publication Date 2009-06-24
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 18 Open Access
Notes Approved Most recent IF: 9.466; 2009 IF: 5.368
Call Number UA @ lucian @ c:irua:78285 Serial 3682
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Author Fang, C.M.; van Huis, M.A.; Zandbergen, H.W.
Title Stability and structures of the CFCC-TmC phases : a first-principles study Type A1 Journal article
Year 2012 Publication Computational materials science Abbreviated Journal (up) Comp Mater Sci
Volume 51 Issue 1 Pages 146-150
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The η-M6C, γ-M23C6, and π-M11C2 phases (M = Cr, Mn and Fe) have complex cubic lattices with lattice parameters of approximately 1.0 nm. They belong to the CFCC-TmC family (complex face-centered cubic transition metal carbides), display a rich variety of crystal structures, and play in important role in iron alloys and steels. Here we show that first-principles calculations predict high stability for the γ-M23C6 and η-M6C phases, and instability for the π-M11C2 phases, taking into account various compositional and structural possibilities. The calculations also show a wide variety in magnetic properties. The Cr-containing phases were found to be non-magnetic and the Fe-phases to be ferromagnetic, while the Mn-containing phases were found to be either ferrimagnetic or non-magnetic. Details of the local atomic structures, and the formation and stability of these precipitates in alloys are discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000296214300020 Publication Date 2011-08-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.292 Times cited 18 Open Access
Notes Approved Most recent IF: 2.292; 2012 IF: 1.878
Call Number UA @ lucian @ c:irua:93277 Serial 3119
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Author Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
Title Accurate pseudopotential description of the GW bandstructure of ZnO Type A1 Journal article
Year 2011 Publication Computer physics communications Abbreviated Journal (up) Comput Phys Commun
Volume 182 Issue 9 Pages 2029-2031
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract We present the GW band structure of ZnO in its wurtzite (WZ), zincblende (ZB) and rocksalt (RS) phases at the Γ point, calculated within the GW approximation. We have used a Zn20+ pseudopotential which is essential for the adequate treatment of the exchange interaction in the self-energy. The accuracy of the pseudopotential used is also discussed. The effect of the pd hybridization on the GW corrections to the band gap is correlated by comparing the ZB and RS phase.
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000292675100062 Publication Date 2011-02-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0010-4655; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.936 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 3.936; 2011 IF: 3.268
Call Number UA @ lucian @ c:irua:90761 Serial 51
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Author Neyts, E.; Tacq, M.; Bogaerts, A.
Title Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: a molecular dynamics study Type A1 Journal article
Year 2006 Publication Diamond and related materials Abbreviated Journal (up) Diam Relat Mater
Volume 15 Issue 10 Pages 1663-1676
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000241224000026 Publication Date 2006-03-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-9635; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.561 Times cited 18 Open Access
Notes Approved Most recent IF: 2.561; 2006 IF: 1.935
Call Number UA @ lucian @ c:irua:59634 Serial 2819
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Author Alvarez-Martin, A.; Trashin, S.; Cuykx, M.; Covaci, A.; De Wael, K.; Janssens, K.
Title Photodegradation mechanisms and kinetics of Eosin-Y in oxic and anoxic conditions Type A1 Journal article
Year 2017 Publication Dyes and pigments Abbreviated Journal (up) Dyes Pigments
Volume 145 Issue Pages 376-384
Keywords A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
Abstract Lakes based on Eosin-Y are extensively used by 19th century artists. Unfortunately, the identification of these pigments in paintings is a difficult task because Eosin-Y degrades very fast under the influence of light. The characterization of the (photo)degradation products of Eosin-Y can be very useful for the identification of these pigments in historic works of art and related cultural heritage artifacts. Furthermore, knowledge on how different factors influence the discoloration process (e.g. different types of irradiation sources and presence/absence of oxygen) is a valuable tool for preventive conservation. To this aim we performed a study on the photodegradation of Eosin-Y in solution under different illumination and in both oxic and anoxic conditions. The photodegradation of Eosin-Y was monitored by UV-VIS spectrophotometry, LC-QTOFMS and electrochemistry techniques. Results indicated higher degradation rates, by a factor of 20 or higher, under illumination with wavelengths near to the main absorbance band of the red pigment. Two different degradation pathways are observed under the conditions studied. LC-QTOFMS and electrochemistry suggested that in the presence of oxygen the degradation mechanism is an oxidative process where the breakdown of the structure causes the total discoloration. Meanwhile under anoxic conditions, a debromination process takes place while the chromophore, and consequently the color of the molecule in solution, remains essentially intact.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000405972900046 Publication Date 2017-06-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0143-7208 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.473 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 3.473
Call Number UA @ admin @ c:irua:144385 Serial 5770
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Author Ang, F.; Van Passel, S.
Title The sustainable value approach : a clarifying and constructive comment Type A1 Journal article
Year 2010 Publication Ecological Economics Abbreviated Journal (up) Ecol Econ
Volume 69 Issue 12 Pages 2303-2306
Keywords A1 Journal article; Economics
Abstract Recently, the original benchmarking methodology of the Sustainable Value approach became subjected to serious debate. While Kuosmanen and Kuosmanen (2009b) critically question its validity introducing productive efficiency theory, Figge and Hahn (2009) put forward that the implementation of productive efficiency theory severely conflicts with the original financial economics perspective of the Sustainable Value approach. We argue that the debate is very confusing because the original Sustainable Value approach presents two largely incompatible objectives. Nevertheless, we maintain that both ways of benchmarking could provide useful and moreover complementary insights. If one intends to present the overall resource efficiency of the firm from the investor's viewpoint, we recommend the original benchmarking methodology. If one on the other hand aspires to create a prescriptive tool setting up some sort of reallocation scheme, we advocate implementation of the productive efficiency theory. Although the discussion on benchmark application is certainly substantial, we should avoid the debate to become accordingly narrowed. Next to the benchmark concern, we see several other challenges considering the development of the Sustainable Value approach: (1) a more systematic resource selection, (2) the inclusion of the value chain and (3) additional analyses related to policy in order to increase interpretative power.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000283700900001 Publication Date 2010-07-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-8009; 1873-6106 ISBN Additional Links UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
Impact Factor 2.965 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 2.965; 2010 IF: 2.754
Call Number UA @ admin @ c:irua:136760 Serial 6258
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Author Maes, D.; Van Passel, S.
Title Advantages and limitations of exergy indicators to assess sustainability of bioenergy and biobased materials Type A1 Journal article
Year 2014 Publication Environmental Impact Assessment Review Abbreviated Journal (up) Environ Impact Asses
Volume 45 Issue Pages 19-29
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Innovative bioenergy projects show a growing diversity in biomass pathways, transformation technologies and end-products, leading to complex new processes. Existing energy-based indicators are not designed to include multiple impacts and are too constrained to assess the sustainability of these processes. Alternatively, indicators based on exergy, a measure of “qualitative energy”, could allow a more holistic view. Exergy is increasingly applied in analyses of both technical and biological processes. But sustainability assessments including exergy calculations, are not very common and are not generally applicable to all types of impact. Hence it is important to frame the use of exergy for inclusion in a sustainability assessment. This paper reviews the potentials and the limitations of exergy calculations, and presents solutions for coherent aggregation with other metrics. The resulting approach is illustrated in a case study. Within the context of sustainability assessment of bioenergy, exergy is a suitable metric for the impacts that require an ecocentric interpretation, and it allows aggregation on a physical basis. The use of exergy is limited to a measurement of material and energy exchanges with the sun, biosphere and lithosphere. Exchanges involving services or human choices are to be measured in different metrics. This combination provides a more inclusive and objective sustainability assessment, especially compared to standard energy- or carbon-based indicators. Future applications of this approach in different situations are required to clarify the potential of exergy-based indicators in a sustainability context. (C) 2013 Elsevier Inc. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000331924600003 Publication Date 2013-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0195-9255 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.094 Times cited 18 Open Access
Notes ; ; Approved Most recent IF: 3.094; 2014 IF: 2.400
Call Number UA @ admin @ c:irua:127545 Serial 6147
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Author Carraro, G.; Maccato, C.; Bontempi, E.; Gasparotto, A.; Lebedev, O.I.; Turner, S.; Depero, L.E.; Van Tendeloo, G.; Barreca, D.
Title Insights on growth and nanoscopic investigation of uncommon iron oxide polymorphs Type A1 Journal article
Year 2013 Publication European journal of inorganic chemistry Abbreviated Journal (up) Eur J Inorg Chem
Volume Issue 31 Pages 5454-5461
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Si(100)-supported Fe2O3 nanomaterials were developed by a chemical vapor deposition (CVD) approach. The syntheses, which were performed at temperatures between 400 and 550 °C, selectively yielded the scarcely studied β- and ϵ-Fe2O3 polymorphs under O2 or O2 + H2O reaction environments, respectively. Correspondingly, the observed morphology underwent a progressive evolution from interconnected nanopyramids to vertically aligned nanorods. The present study aims to provide novel insights into Fe2O3 nano-organization by a systematic investigation of the system structure/morphology and of their interrelations with growth conditions. In particular, for the first time, the β- and ϵ-Fe2O3 preparation process has been accompanied by a thorough multitechnique investigation, which, beyond X-ray photoelectron spectroscopy (XPS) and field-emission scanning electron microscopy (FESEM), is carried out by X-ray diffraction (XRD), energy-dispersive X-ray spectroscopy (EDXS), atomic force microscopy (AFM), high-resolution transmission electron microscopy (HRTEM), electron diffraction (ED), scanning TEM electron energy-loss spectroscopy (STEM-EELS), and high-angle annular dark-field STEM (HAADF-STEM). Remarkably, the target materials showed a high structural and compositional homogeneity throughout the whole thickness of the nanodeposit. In particular, spatially resolved EELS chemical maps through the spectrum imaging (SI) technique enabled us to gain important information on the local Fe coordination, which is of crucial importance in determining the system reactivity. The described preparation method is in fact a powerful tool to simultaneously tailor phase composition and morphology of iron(III) oxide nanomaterials, the potential applications of which include photocatalysis, magnetic devices, gas sensors, and anodes for Li-ion batteries.
Address
Corporate Author Thesis
Publisher Place of Publication Weinheim Editor
Language Wos 000330567000009 Publication Date 2013-10-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1434-1948; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.444 Times cited 18 Open Access
Notes Fwo; Countatoms Approved Most recent IF: 2.444; 2013 IF: 2.965
Call Number UA @ lucian @ c:irua:110946 Serial 1676
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Author Van Meensel, J.; Lauwers, L.; Van Huylenbroeck, G.; Van Passel, S.
Title Comparing frontier methods for economic-environmental trade-off analysis Type A1 Journal article
Year 2010 Publication European Journal Of Operational Research Abbreviated Journal (up) Eur J Oper Res
Volume 207 Issue 2 Pages 1027-1040
Keywords A1 Journal article; Economics
Abstract This paper uses a mechanistic frontier approach as a reference to evaluate the ability of conventional parametric (SFA) and non-parametric (DEA) frontier approaches for analyzing economicenvironmental trade-offs. Conventional frontier approaches are environmentally adjusted through incorporating the materials balance principle. The analysis is worked out for the Flemish pig finishing case, which is both representative and didactic. Results show that, on average, SFA and DEA yield adequate economicenvironmental trade-offs. Both methods are good estimators for technical efficiency. Cost allocative and environmental allocative efficiency scores are less robust, due to the well-known methodological advantages and disadvantages of SFA and DEA. For particular firms, SFA, DEA and the mechanistic approach may yield different economicenvironmental trade-offs. One has therefore to be careful when using conventional frontier approaches for firm-specific decision support. The mechanistic approach allows for optimizing performances per average present finisher, which is the production unit in pig finishing. Conventional frontier methods do not allow for this optimization since the number of average present finishers varies along the production functions. Since the mechanistic production function is based on underlying growth, feed uptake and mortality functions, additional firm-specific indicators can also be calculated at each point of the production function.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000281107200045 Publication Date 2010-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0377-2217 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.297 Times cited 18 Open Access
Notes ; This research is funded by the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWT Vlaanderen). ; Approved Most recent IF: 3.297; 2010 IF: 2.159
Call Number UA @ admin @ c:irua:136761 Serial 6171
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Author Leus, K.; Perez, J.P.H.; Folens, K.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P.
Title UiO-66-(SH)2 as stable, selective and regenerable adsorbent for the removal of mercury from water under environmentally-relevant conditions Type A1 Journal article
Year 2017 Publication Faraday discussions Abbreviated Journal (up) Faraday Discuss
Volume 201 Issue Pages 145-161
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The dithiol functionalized UiO-66-(SH)(2) is developed as an efficient adsorbent for the removal of mercury in aqueous media. Important parameters for the application of MOFs in real-life circumstances include: stability and recyclability of the adsorbents, selectivity for the targeted Hg species in the presence of much higher concentrations of interfering species, and ability to purify wastewater below international environmental limits within a short time. We show that UiO-66-(SH)(2) meets all these criteria.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000409366000009 Publication Date 2017-06-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6640 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.588 Times cited 18 Open Access Not_Open_Access
Notes ; J. P. H. P. is grateful for the funding from the Vlaamse Interuniversitaire Raad-Universitaire Ontwikkelingssamenwerking (VLIR-UOS). K. L. acknowledges the financial support from the Ghent University BOF Postdoctoral Grant (01P06813T). ; Approved Most recent IF: 3.588
Call Number UA @ lucian @ c:irua:145653 Serial 4757
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Author Nagy, N.V.; Van Doorslaer, S.; Szabó-Plánka, T.; Van Rompaey, S.; Hamza, A.; Fülöp, F.; Tóth, G.K.; Rockenbauer, A.
Title Copper(II)-binding ability of stereoisomeric cis- and trans-2-aminocyclohexanecarboxylic acidl-phenylalanine dipeptides : a combined CW/pulsed EPR and DFT study Type A1 Journal article
Year 2012 Publication Inorganic chemistry Abbreviated Journal (up) Inorg Chem
Volume 51 Issue 3 Pages 1386-1399
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract With the aim of an improved understanding of the metal-complexation properties of alicyclic β-amino acid stereoisomers, and their peptides, the complex equilibria and modes of coordination with copper(II) of l-phenylalanine (F) derivatives of cis/trans-2-aminocyclohexanecarboxylic acid (c/tACHC), i.e. the dipeptides F-c/tACHC and c/tACHC-F, were investigated by a combination of CW and pulsed EPR methods. For the interpretation of the experimental data, DFT quantum-chemical calculations were carried out. Simulation of a pH-dependent series of room-temperature CW-EPR spectra revealed the presence of EPR-active complexes ([Cu(aqua)]2+, [CuL]+, [CuLH1], [CuLH2]−, and [CuL2H1]−), and an EPR-inactive species ([Cu2L2H3]−) in aqueous solutions for all studied cases. [CuLH]2+ was included in the equilibrium model for the c/tACHC-Fcopper(II) systems, and [CuL2], together with two coordination isomers of [CuL2H1]−, were also identified in the F-tACHCcopper(II) system. Comparison of the complexation properties of the diastereomeric ligand pair F-(1S,2R)-ACHC and F-(1R,2S)-ACHC did not reveal significant differences. Considerably lower formation constants were obtained for the trans than for the cis isomers for both the F-c/tACHC and the c/tACHC-F pairs in the case of [CuLH1] involving tridentate coordination by the amino, the deprotonated peptide, and the carboxylate groups. A detailed structural analysis by pulsed EPR methods and DFT calculations indicated that there was no significant destabilization for the complexes of the trans isomers. The lower stability of their complexes was explained by the limitation that only the conformer with donor groups in equatorialequatorial ring positions can bind to copper(II), whereas both equatorial-axial conformers of the cis isomers are capable of binding. From a consideration of the proton couplings obtained with X-band 1H HYSCORE, 2H exchange experiments, and DFT, the thermodynamically most stable cyclohexane ring conformer was assigned for all four [CuLH1] complexes. For the F-cACHC case, the conformer did not match the most stable conformer of the free ligand.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000300474700029 Publication Date 2012-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 18 Open Access
Notes Approved Most recent IF: 4.857; 2012 IF: 4.593
Call Number UA @ lucian @ c:irua:96729 Serial 515
Permanent link to this record
 

 
Author King, G.; Abakumov, A.M.; Hadermann, J.; Alekseeva, A.M.; Rozova, M.G.; Perkisas, T.; Woodward, P.M.; Van Tendeloo, G.; Antipov, E.V.
Title Crystal structure and phase transitions in Sr3WO6 Type A1 Journal article
Year 2010 Publication Inorganic chemistry Abbreviated Journal (up) Inorg Chem
Volume 49 Issue 13 Pages 6058-6065
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The crystal structures of the beta and gamma polymorphs of Sr3WO6 and the gamma <->beta phase transition have been investigated using electron diffraction, synchrotron X-ray powder diffraction, and neutron powder diffraction. The gamma-Sr3WO6 polymorph is stable above T-c approximate to 470 K and adopts a monoclinically distorted double perovskite A(2)BB'O-6= Sr2SrWO6 structure (space group Cc, a = 10.2363(1)angstrom, b= 17.9007(1)angstrom, c= 11.9717(1)angstrom, beta=125.585(1)degrees at T= 1373 K, Z=12, corresponding to a = a(p)+1/2b(p) – 1/2c(p), b =3/2b(p) + 3/2c(p), c =-b(p) + c(p), a(p),b(p), c(p), lattice vectors of the parent Fm (3) over barm double perovskite structure). Upon cooling it undergoes a continuous phase transition into the triclinically distorted beta-Sr3WO6 phase (space group Cl, a = 10.09497(3)angstrom, b = 17.64748(5)angstrom, c = 11.81400(3)angstrom, alpha = 89.5470(2)degrees, beta= 125.4529(2)degrees, gamma =90.2889(2)degrees at T= 300 K). Both crystal structures of Sr3WO6 belong to a family of double perovskites with broken corner sharing connectivity of the octahedral framework. A remarkable feature of the gamma-Sr3WO6 structure is a non-cooperative rotation of the WO6 octahedra. One third of the WO6 octahedra are rotated by 45 about either the bp or the cp axis of the parent double perovskite structure. As a result, the WO6 octahedra do not share corners but instead share edges with the coordination polyhedra of the Sr cations at the B positions increasing their coordination number from 6 to 7 or 8. The crystal structure of the beta-phase is very close to the structure of the gamma-phase; decreasing symmetry upon the gamma ->beta transformation occurs because of unequal octahedral rotation angles about the bp and cp axes and increasing distortions of the WO6 octahedra.
Address
Corporate Author Thesis
Publisher Place of Publication Easton, Pa Editor
Language Wos 000279211500036 Publication Date 2010-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669;1520-510X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.857 Times cited 18 Open Access
Notes Approved Most recent IF: 4.857; 2010 IF: 4.326
Call Number UA @ lucian @ c:irua:83877 Serial 562
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Author Douglas, A.; Neethling, J.H.; Santamarta, R.; Schryvers, D.; Cornish, L.A.
Title Unexpected ordering behaviour of Pt3Al intermetallic precipitates Type A1 Journal article
Year 2007 Publication Journal of alloys and compounds Abbreviated Journal (up) J Alloy Compd
Volume 432 Issue 1/2 Pages 96-102
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Amsterdam Editor
Language Wos 000245486300024 Publication Date 2006-07-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0925-8388; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.133 Times cited 18 Open Access
Notes Approved Most recent IF: 3.133; 2007 IF: 1.455
Call Number UA @ lucian @ c:irua:64279 Serial 3808
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