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Author  |
Esteban, D.A.; Vanrompay, H.; Skorikov, A.; Béché, A.; Verbeeck, J.; Freitag, B.; Bals, S. | ||||
| Title | Fast electron low dose tomography for beam sensitive materials | Type | A1 Journal article | ||
| Year | 2021 | Publication | Microscopy And Microanalysis | Abbreviated Journal | Microsc Microanal |
| Volume | 27 | Issue | S1 | Pages | 2116-2118 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-07-30 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1431-9276 | ISBN | Additional Links | UA library record | |
| Impact Factor | 1.891 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 1.891 | |||
| Call Number | EMAT @ emat @c:irua:183278 | Serial | 6813 | ||
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| Author |
Esteban, D.A.; Chamocho, E.G.; Carretero González, J.; Urones Garrote, E.; Otero Díaz, L.C.; Brande, D.Á. | ||||
| Title | Enhancing Electrochemical Properties of Walnut Shell Activated Carbon with Embedded MnO Clusters for Supercapacitor Applications | Type | A1 Journal Article | ||
| Year | 2024 | Publication | Batteries & Supercaps | Abbreviated Journal | Batteries & Supercaps |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; | ||||
| Abstract | Activated carbon (AC) materials from renewable sources are widely used in electrochemical applications due to their well‐known high surface area. However, their application as electrode material in double‐layer electrochemical devices may be limited due to their relatively low electrical conductivity and lightweight. To overcome these limitations, the incorporation of pseudocapacitance metal oxide nanoparticles is an optimum approach. These nanoparticles can provide a second energy storage mechanism to the composite, mitigating the loss of surface area associated with their incorporation. As a result, the composite material is endowed with increased conductivity and higher density, making it more suitable for practical implementation in real devices. In this study, we have incorporated a fine dispersion of 1 % of MnO clusters into a highly porous activated carbon synthesized from walnut shells (WAC). The high‐resolution electron microscopy studies, combined with their related analytical techniques, allow us to determine the presence of the cluster within the matrix carbon precisely. The resulting MnO@WAC composite demonstrated significantly improved capacitive behavior compared with the WAC material, with increased volumetric capacitance and higher charge retention at higher current densities. The composite‘s electrochemical performance suggests its potential as a promising electrode material for supercapacitors, addressing drawbacks associated with traditional AC materials. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001198179300001 | Publication Date | 2024-04-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2566-6223 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Grants PID2020-112848RB-C21 funded by MCIN/AEI/ 10.13039/501100011033 and by the European Union PRTR funding through projects are acknowledged. Access to the ICTS- CNME for TEM is also acknowledged. | Approved | Most recent IF: NA | ||
| Call Number | EMAT @ emat @c:irua:205463 | Serial | 9119 | ||
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| Author |
Esquivel, M.R.; Zelaya, E. | ||||
| Title | Synthesis and characterisation of lanthanide-based dioxide | Type | A1 Journal article | ||
| Year | 2011 | Publication | Advances in applied ceramics | Abbreviated Journal | Adv Appl Ceram |
| Volume | 110 | Issue | 4 | Pages | 219-224 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In the present work, the microstructure and structure of La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)(OH)(3) and La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)O(2) is obtained from transmission electron microscopy and X-ray diffraction measurements. Space group P6(3)/m is assigned to the structure of La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)(OH)(3). Lanthanides are assigned to Wyckoff positions 2c. Cell parameters are a=6.375(5) angstrom and c=3.753(5) angstrom. The thermal decomposition of this compound was studied by differential scanning calorimetry. The process is exothermal with an enthalpy change Delta H degrees value of -254 +/- 10 kJ mol(-1). The decomposition kinetics is complex and two global processes with E(a) values of 98 +/- 4 and 61 +/- 2 kJ mol 21 were observed. The product is a lanthanide dioxide. Space group Fm3m is assigned to the La(0.25)Ce(0.52)Nd(0.17)Pr(0.06)O(2). Lanthanides are distributed in Wyckoff positions 4a. The cell parameter is a=5.479(5) angstrom. Nanopores in the oxide surface are obtained using this method and characterised by STEM measurements. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Leeds | Editor | ||
| Language | Wos | 000291206700006 | Publication Date | 2011-05-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1743-6753;1743-6761; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.325 | Times cited | 3 | Open Access | |
| Notes | Approved | Most recent IF: 1.325; 2011 IF: 0.871 | |||
| Call Number | UA @ lucian @ c:irua:105588 | Serial | 3410 | ||
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| Author |
Esquivel, D.; Ouwehand, J.; Meledina, M.; Turner, S.; Tendeloo, G.V.; Romero-Salguero, F.J.; Clercq, J.D.; Voort, P.V.D. | ||||
| Title | Thiol-ethylene bridged PMO: A high capacity regenerable mercury adsorbent via intrapore mercury thiolate crystal formation | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of hazardous materials | Abbreviated Journal | J Hazard Mater |
| Volume | 339 | Issue | 339 | Pages | 368-377 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Highly ordered thiol-ethylene bridged Periodic Mesoporous Organosilicas were synthesized directly from a homemade thiol-functionalized bis-silane precursor. These high surface area materials contain up to 4.3 mmol/g sulfur functions in the walls and can adsorb up to 1183 mg/g mercury ions. Raman spectroscopy reveals the existence of thiol and disulfide moieties. These groups have been evaluated by a combination of Raman spectroscopy, Ellman’s reagent and elemental analysis. The adsorption of mercury ions was evidenced by different techniques, including Raman, XPS and porosimetry, which indicate that thiol groups are highly accessible to mercury. Scanning transmission electron microscopy combined with EDX showed an even homogenous distribution of the sulfur atoms throughout the structure, and have revealed for the first time that a fraction of the adsorbed mercury is forming thiolate nanocrystals in the pores. The adsorbent is highly selective for mercury and can be regenerated and reused multiple times, maintaining its structure and functionalities and showing only a marginal loss of adsorption capacity after several runs. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000407188200040 | Publication Date | 2017-06-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3894 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.065 | Times cited | 12 | Open Access | OpenAccess |
| Notes | D.E. thanks the F.W.O. Flanders (Fund Scientific Research) for a postdoctoral grant (3E10813W). J.O. acknowledges also F.W.O. Flanders, research project G006813N, and the research Board of Ghent University, UGent GOA (Concerted Research Actions) (grant 01G00710) for financial support. F. J. R.-S. acknowledges funding of this research by the Spanish Ministry of Economy and Competitiveness (Project MAT2013-44463-R), Andalusian Regional Government (FQM-346 group), and Feder Funds. The Titan microscope used for this investigation was partially funded by the Hercules foundation of the Flemish government. This work was supported by the Belgian IAP-PAI network. | Approved | Most recent IF: 6.065 | ||
| Call Number | EMAT @ emat @ c:irua:144433 | Serial | 4624 | ||
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| Author |
Espinoza Torres, C.; Condó, A.M.; Haberkorn, N.; Zelaya, E.; Schryvers, D.; Guimpel, J.; Lovey, F.C. | ||||
| Title | Structures in textured Cu-Al-Ni shape memory thin films grown by sputtering | Type | A1 Journal article | ||
| Year | 2014 | Publication | Materials characterization | Abbreviated Journal | Mater Charact |
| Volume | 96 | Issue | Pages | 256-262 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The structure and texture formation in CuAlNi thin films of different thicknesses (1 μm to 5 μm) grown by DC magnetron sputtering without any intentional heating of the substrate are reported. The as-grown films present grains with an average size of 20 nm. The films with thickness of 1 μm have a single metastable phase with a hexagonal structure and are textured with planes (0002) parallel to the plane of the films. It was observed that thicker films present phase coexistence between metastable hexagonal and body centered cubic structures with a gradual increment of the body centered cubic phase fraction. The films with thickness of 5 μm are textured with planes (0002) and View the MathML source101¯0 in the hexagonal structure, whereas in the body centered cubic structure the films are textured with {110} planes parallel to the plane of the films. This fact can be associated with self-heating of the substrate during the growth of the films and with the relative stability of the metastable phases. Free standing films annealed in a second step (1123 K for 1 h) present austenitic phase with L21 structure and sub-micrometric grains textured with {220}L21 planes parallel to the plane of the films. The martensitic transformation temperature was determined from the analysis of resistance against temperature measurements. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | New York | Editor | ||
| Language | Wos | 000343346400032 | Publication Date | 2014-08-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1044-5803; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.714 | Times cited | 9 | Open Access | |
| Notes | (CONICET PIP 11220090100457) and MINCYT-FWO International Exchange Project FW/09/03 is also acknowledged | Approved | Most recent IF: 2.714; 2014 IF: 1.845 | ||
| Call Number | UA @ lucian @ c:irua:118931 | Serial | 3321 | ||
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| Author |
Espinosa, I.M.P.; Karaaslan, Y.; Sevik, C.; Martini, A. | ||||
| Title | Atomistic model of the anisotropic response of ortho-Mo₂C to indentation | Type | A1 Journal article | ||
| Year | 2023 | Publication | AIP advances | Abbreviated Journal | |
| Volume | 13 | Issue | 6 | Pages | 065125-65127 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Molybdenum carbide has various applications for which studying the material using classical molecular dynamics simulations would be valuable. Here, we develop an empirical potential within the Tersoff formalism using particle swarm optimization for the orthorhombic phase of Mo2C. The developed potential is shown to predict lattice constants, elastic properties, and equation of state results that are consistent with current and previously reported results from experiments and first principles calculations. We demonstrate the potential with simulations of indentation using multiple indenter sizes that load and unload in three different directions relative to the crystallographic lattice of orthorhombic Mo2C. Direction-dependent force-displacement trends are analyzed and explained in terms of the spatial distributions of stress and strain within the material during indentation. This study reveals the anisotropic elasticity of orthorhombic Mo2C and, more generally, provides researchers with a new empirical potential that can be used to explore the properties and behavior of the material going forward. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001016472500005 | Publication Date | 2023-06-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2158-3226 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:198333 | Serial | 8834 | ||
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| Author |
Espinosa, E.H.; Lonescu, R.; Bittencourt, C.; Felten, A.; Erni, R.; Van Tendeloo, G.; Pireaux, J.-J.; Llobet, E. | ||||
| Title | Metal-decorated multi-wall carbon nanotubes for low temperature gas sensing | Type | A1 Journal article | ||
| Year | 2007 | Publication | Thin solid films : an international journal on the science and technology of thin and thick films | Abbreviated Journal | Thin Solid Films |
| Volume | 515 | Issue | 23 | Pages | 8322-8327 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam : Elsevier | Editor | ||
| Language | Wos | 000250353700005 | Publication Date | 2007-03-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0040-6090; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.879 | Times cited | 86 | Open Access | |
| Notes | Pai 5/1 | Approved | Most recent IF: 1.879; 2007 IF: 1.693 | ||
| Call Number | UA @ lucian @ c:irua:66631 | Serial | 2008 | ||
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| Author |
Esken, D.; Zhang, X.; Lebedev, O.I.; Schröder, F.; Fischer, R.A. | ||||
| Title | Pd@MOF-5: limitations of gas-phase infiltration and solution impregnation of [Zn4O(bdc)3] (MOF-5) with metalorganic palladium precursors for loading with Pd nanoparticles | Type | A1 Journal article | ||
| Year | 2009 | Publication | Journal of materials chemistry | Abbreviated Journal | J Mater Chem |
| Volume | 19 | Issue | 9 | Pages | 1314-1319 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The limitations of the loading of the porous metalorganic framework [Zn4O(bdc)3] (bdc = benzene-1,4-dicarboxylate; MOF-5 or IRMOF-1) with Pd nanoparticles was investigated. First, the volatile organometallic precursor [Pd(5-C5H5)(3-C3H5)] was employed to get the inclusion compound [Pd(5-C5H5)(3-C3H5)]x@MOF-5 via gas-phase infiltration at 10-3 mbar. A loading of four molecules of [Pd(5-C5H5)(3-C3H5)] per formula unit of MOF-5 (x = 4) can be reached (35 wt.% Pd). Second, the metalorganic precursor [Pd(acac)2] (acac = 2,4-pentanedionate) was used and the inclusion materials [Pd(acac)2]x@MOF-5 of different Pd loadings were obtained by incipient wetness infiltration. However, the maximum loading was lower as compared with the former case with about two precursor molecules per formula unit of MOF-5. Both loading routes are suitable for the synthesis of Pd nanoparticles inside the porous host matrix. Homogeneously distributed nanoparticles with diameter of 2.4(±0.2) nm can be achieved by photolysis of the inclusion compounds [Pd(5-C5H5)(3-C3H5)]x@MOF-5 (x 4), while the hydrogenolysis of [Pd(acac)2]x@MOF-5 (x 2) leads to a mixture of small particles inside the network (< 3 nm) and large Pd agglomerates (40 nm) on the outer surface of the MOF-5 specimens. The pure Pdx@MOF-5 materials proved to be stable under hydrogen pressure (2 bar) at 150 °C over many hours. Neither hydrogenation of the bdc linkers nor particle growth was observed. The new composite materials were characterized by 1H/13C-MAS-NMR, powder XRD, ICP-AES, FT-IR, N2 sorption measurements and high resolution TEM. Raising the Pd loading of a representative sample Pd4@MOF-5 (35 wt.% Pd) by using [Pd(5-C5H5)(3-C3H5)] as precursor in a second cycle of gas-phase infiltration and photolysis was accompanied by the collapse of the long-range crystalline order of the MOF. | ||||
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| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000263450300015 | Publication Date | 2009-01-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0959-9428;1364-5501; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 100 | Open Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:76318 | Serial | 2565 | ||
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| Author |
Esken, D.; Turner, S.; Wiktor, C.; Kalidindi, S.B.; Van Tendeloo, G.; Fischer, R.A. | ||||
| Title | GaN@ZIF-8 : selective formation of gallium nitride quantum dots inside a zinc methylimidazolate framework | Type | A1 Journal article | ||
| Year | 2011 | Publication | Journal of the American Chemical Society | Abbreviated Journal | J Am Chem Soc |
| Volume | 133 | Issue | 41 | Pages | 16370-16373 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The microporous zeolitic imidazolate framework [Zn(MeIM)2; ZIF-8; MeIM = imidazolate-2-methyl] was quantitatively loaded with trimethylamine gallane [(CH3)3NGaH3]. The obtained inclusion compound [(CH3)3NGaH3]@ZIF-8 reveals three precursor molecules per host cavity. Treatment with ammonia selectively yields the caged cyclotrigallazane intermediate (H2GaNH2)3@ZIF-8, and further annealing gives GaN@ZIF-8. This new composite material was characterized with FT-IR spectroscopy, solid-state NMR spectroscopy, powder X-ray diffraction, elemental analysis, (scanning) transmission electron microscopy combined with electron energy-loss spectroscopy, photoluminescence (PL) spectroscopy, and N2 sorption measurements. The data give evidence for the presence of GaN nanoparticles (13 nm) embedded in the cavities of ZIF-8, including a blue-shift of the PL emission band caused by the quantum size effect. | ||||
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| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000295997500014 | Publication Date | 2011-09-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0002-7863;1520-5126; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.858 | Times cited | 82 | Open Access | |
| Notes | Hercules | Approved | Most recent IF: 13.858; 2011 IF: 9.907 | ||
| Call Number | UA @ lucian @ c:irua:93582 | Serial | 1315 | ||
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| Author |
Esken, D.; Turner, S.; Lebedev, O.I.; Van Tendeloo, G.; Fischer, R.A. | ||||
| Title | Au@ZIFs: stabilization and encapsulation of cavity-size matching gold clusters inside functionalized Zeolite Imidazolate Frameworks, ZIFs | Type | A1 Journal article | ||
| Year | 2010 | Publication | Chemistry of materials | Abbreviated Journal | Chem Mater |
| Volume | 22 | Issue | 23 | Pages | 6393-6401 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The selective formation and stabilization of very small, naked metal particles inside the cavities of metal organic frameworks (MOFs) and the simultaneous realization of an even distribution of the particles throughout the crystalline MOF host matrix over a wide range of metal loading are challenging goals. MOFs reveal high specific surface areas, tunable pore sizes, and organic linkers, which are able to interact with guests. The chemically very robust zeolite imidazolate frameworks (ZIFs) are a subclass of MOFs. We chose the microporous sodalite-like ZIF-8 (Zn(MelM)(2); IM = imidazolate) and ZIF-90 (Zn(ICA)(2); ICA = imidazolate-2-carboxyaldehyde) as host matrices to influence the dispersion of imbedded gold nanoparticles (Au NPs). The metal loading was achieved via gas phase infiltration of [Au(CO)Cl] followed by a thermal hydrogenation step to form the Au NPs. Low-dose high-resolution transmission electron microscopy ((HR)TEM) and electron tomography reveal a homogeneous distribution of Au NPs throughout the ZIF matrix. The functional groups of ZIF-90 direct the anchoring of intermediate Au species and stabilize drastically smaller and quite monodisperse Au NPs in contrast to the parent not functionalized ZIF-8. The particles can be very small, match the cavity size and approach defined molecular clusters of magic numbers, i.e., Au(55), independently from the level of loading. Post-synthetic oxidation of the aldehyde groups to yield alkyl esters by the adjacent, catalytically active metal NPs is presented as a new concept of encapsulating nanoparticles inside MOFs and allows multiple steps of metal loadings without decomposition of the MOF. | ||||
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| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000284975100025 | Publication Date | 2010-11-12 | |
| 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 | 194 | Open Access | |
| Notes | Esteem 026019 | Approved | Most recent IF: 9.466; 2010 IF: 6.400 | ||
| Call Number | UA @ lucian @ c:irua:95530 | Serial | 208 | ||
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| Author |
Esken, D.; Noei, H.; Wang, Y.; Wiktor, C.; Turner, S.; Van Tendeloo, G.; Fischer, R.A. | ||||
| Title | ZnO@ZIF-8 : stabilization of quantum confined ZnO nanoparticles by a zinc methylimidazolate framework and their surface structural characterization probed by CO2 adsorption | Type | A1 Journal article | ||
| Year | 2011 | Publication | Journal of materials chemistry | Abbreviated Journal | J Mater Chem |
| Volume | 21 | Issue | 16 | Pages | 5907-5915 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The microporous and activated zeolitic imidazolate framework (Zn(MeIM)2; MeIM = imidazolate-2-methyl; ZIF-8) was loaded with the MOCVD precursor diethyl zinc [Zn(C2H5)2]. Exposure of ZIF-8 to the vapour of the volatile organometallic molecule resulted in the formation of the inclusion compound [Zn(C2H5)2]0.38@ZIF-8 revealing two precursor molecules per cavity. In a second step the obtained material was treated with oxygen (5 vol% in argon) at various temperatures (oxidative annealing) to achieve the composite material ZnO0.35@ZIF-8. The new material was characterized with powder XRD, FT-IR, UV-vis, solid state NMR, elemental analysis, N2 sorption measurements, and transmission electron microscopy. The data give evidence for the presence of nano-sized ZnO particles stabilized by ZIF-8 showing a blue-shift of the UV-vis absorption caused by quantum size effect (QSE). The surface structure and reactivity of embedded ZnO nanoparticles were characterized via carbon dioxide adsorption at different temperatures monitored by ultra-high vacuum FTIR techniques. It was found that the surface of ZnO nanoparticles is dominated by polar OZnO and ZnZnO facets as well as by defect sites, which all exhibit high reactivity towards CO2 activation forming various adsorbed carbonate and chemisorbed CO2δ− species. | ||||
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| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000289260000012 | Publication Date | 2011-03-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0959-9428;1364-5501; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 76 | Open Access | ||
| Notes | Esteem 026019 | Approved | Most recent IF: NA | ||
| Call Number | UA @ lucian @ c:irua:88641 | Serial | 3936 | ||
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| Author |
Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. | ||||
| Title | Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | |
| Volume | 11 | Issue | 5 | Pages | 1720-1733 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production. |
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| Language | Wos | 000926412800001 | Publication Date | 2023-02-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
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| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | This research was supported by the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement No. 810182 − SCOPE ERC Synergy project). 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. | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:195377 | Serial | 7257 | ||
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| Author |
Eshtehardi, H.A.; Van ‘t Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. | ||||
| Title | Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | |
| Volume | 11 | Issue | 5 | Pages | 1720-1733 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production. |
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| Language | Wos | 000926412800001 | Publication Date | 2023-02-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique – FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:195377 | Serial | 7258 | ||
| Permanent link to this record | |||||
| Author |
Eshtehardi, H.A.; van 't Veer, K.; Delplancke, M.-P.; Reniers, F.; Bogaerts, A. | ||||
| Title | Postplasma Catalytic Model for NO Production: Revealing the Underlying Mechanisms to Improve the Process Efficiency | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | |
| Volume | 11 | Issue | 5 | Pages | 1720-1733 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma catalysis is emerging for plasma-assisted gas conversion processes. However, the underlying mechanisms of plasma catalysis are poorly understood. In this work, we present a 1D heterogeneous catalysis model with axial dispersion (i.e., accounting for back-mixing and molecular diffusion of fluid elements in the process stream in the axial direction), for plasma-catalytic NO production from N2/O2 mixtures. We investigate the concentration and reaction rates of each species formed as a function of time and position across the catalyst, in order to determine the underlying mechanisms. To obtain insights into how the performance of the process can be further improved, we also study how changes in the postplasma gas flow composition entering the catalyst bed and in the operation conditions of the catalytic stage affect the performance of NO production. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000926412800001 | Publication Date | 2023-02-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.4 | Times cited | Open Access | OpenAccess | |
| Notes | Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ; | Approved | Most recent IF: 8.4; 2023 IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:195377 | Serial | 7241 | ||
| Permanent link to this record | |||||
| Author |
Esguerra, J.L.; Krook, J.; Svensson, N.; Van Passel, S. | ||||
| Title | Assessing the economic potential of landfill mining : review and recommendations | Type | A1 Journal article | ||
| Year | 2019 | Publication | Detritus | Abbreviated Journal | |
| Volume | Volume 08 - December 2019 | Issue | Volume 08 - December 2019 | Pages | 1 |
| Keywords | A1 Journal article; Engineering Management (ENM) | ||||
| Abstract | As landfill mining (LFM) gains public attention, systematic assessment of its economic potential is deemed necessary. The aim of this review is to critically analyze the usefulness and validity of previous economic assessments of LFM. Following the life cycle costing (LCC) framework, (i) the employed methods based on goal and scope, technical parameters and data inventory, and modelling choices were contrasted with respect to (ii) the synthesized main findings based on net profitability and economic performance drivers. Results showed that the selected studies (n=15) are mostly case study-specific and concluded that LFM has a weak economic potential, hinting at the importance of favorable market and regulation settings. However, several method issues are apparent as costs and revenues are accounted at different levels of aggregation, scope and scale-from process to sub-process level, from private to societal economics, and from laboratory to pilot-scale, respectively. Moreover, despite the inherent large uncertainties, more than half of the studies did not perform any uncertainty or sensitivity analyses posing validity issues. Consequently, this also limits the usefulness of results as individual case studies and as a collective, towards a generic understanding of LFM economics. Irrespective of case study-specific or generic aims, this review recommends that future assessments should be learning-oriented. That is, uncovering granular information about what builds up the net profitability of LFM, to be able to systematically determine promising paths for the development of cost-efficient projects. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000504065300011 | Publication Date | 2019-12-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record; WoS full record | ||
| Impact Factor | Times cited | Open Access | |||
| Notes | ; This study has received funding from the European Training Network for Resource Recovery Through Enhanced Landfill Mining (NEW-MINE, Grant Agreement No 721185) under the European Union's EU Framework Programme for Research and Innovation Horizon 2020. ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:165758 | Serial | 6153 | ||
| Permanent link to this record | |||||
| Author |
Esguerra, J.L. | ||||
| Title | Developing strategies for improved economic performance and reduced climate impact of landfill mining in Europe | Type | Doctoral thesis | ||
| Year | 2021 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages | xiv, 99 p. | ||
| Keywords | Doctoral thesis; Economics; Engineering Management (ENM) | ||||
| Abstract | Landfill mining refers to the re-circulation of resources from the previously deposited wastes–integrating resource recovery with traditional site remediation. Several resources that can be recovered include scrap metals, combustibles, and inert materials. In addition, land can be recovered or landfill void space can be liberated for future wastes. At present, landfill mining is still an emerging concept with few project implementations. Consequently, the assessments of its economic and climate implications are case study-specific, limiting the understanding of its potential in a wider geographical scope. This thesis aims to assess the economic performance and climate impact of landfill mining in Europe towards the development of sound strategies for implementation. Different project setups are assessed in relation to varying factors at the site level such as waste composition and landfill settings, and at the system level such as policy and market conditions and background material and energy. In doing so, a factor-based method is developed and applied to generate multiple scenarios (531, 441 scenarios per project setup) and determine the underlying important factors and their interrelations that drive the results. Such understanding is used to develop and discuss strategies for improvement by addressing relevant questions for specific stakeholders, including project investors (i.e., which landfill sites to prioritize?), landfill mining practitioners (i.e., how to set up such projects?), and policymakers (i.e., which policy instruments can effectively support such projects?). Results show that landfill mining is preferable in terms of climate than economy. Possible improvements are shown by internalizing thermal treatment of combustibles and extending fines residue utilization as construction aggregates. In relation to the choice of project setups, preferable site and system-level conditions are identified in general but it is also discussed that the plausibility of finding such conditions may be difficult at present. This steers the development of more tailored strategies on what can be done now by the landfill practitioners in terms of setting up projects under current policy and market conditions in specific regions, or what can be done by the policymakers in terms of implementing various policy instruments that can drive such changes at the system level. Through this thesis, the future of landfill mining research is guided towards addressing key challenges and potential solutions for improvement. Furthermore, this thesis highlights the role of assessment as a tool for learning and guiding the development of emerging concepts such as landfill mining. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | 978-91-7929-056-6 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:183155 | Serial | 6920 | ||
| Permanent link to this record | |||||
| Author |
Esfahani; Leenaerts, O.; Sahin, H.; Partoens, B.; Peeters, F.M. | ||||
| Title | Structural transitions in monolayer MOS2 by lithium adsorption | Type | A1 Journal article | ||
| Year | 2015 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
| Volume | 119 | Issue | 119 | Pages | 10602-10609 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Based on first-principles calculations, we study the structural stability of the H and T phases of monolayer MoS2 upon Li doping. Our calculations demonstrate that it is possible to stabilize a distorted T phase of MoS2 over the H phase through adsorption of Li atoms on the MoS2 surface. Through molecular dynamics and phonon calculations, we show that the T phase of MoS2 is dynamically unstable and undergoes considerable distortions. The type of distortion depends on the concentration of adsorbed Li atoms and changes from zigzag-like to diamond-like when increasing the Li doping. There exists a substantial energy barrier to transform the stable H phase to the distorted T phases, which is considerably reduced by increasing the concentration of Li atoms. We show that it is necessary that the Li atoms adsorb on both sides of the MoS2 monolayer to reduce the barrier sufficiently. Two processes are examined that allow for such two-sided adsorption, namely, penetration through the MoS2 layer and diffusion over the MoS2 surface. We show that while there is only a small barrier of 0.24 eV for surface diffusion, the amount of energy needed to pass through a pure MoS2 layer is of the order of similar or equal to 2 eV. However, when the MoS2 layer is covered with Li atoms the amount of energy that Li atoms should gain to penetrate the layer is drastically reduced and penetration becomes feasible. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000354912200051 | Publication Date | 2015-04-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447;1932-7455; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.536 | Times cited | 96 | Open Access | |
| Notes | ; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl) and the Methusalem program of the Flemish government. H. S is supported by an FWO Pegasus-Long Marie Curie fellowship. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Hercules Foundation and the Flemish Government department EWI. ; | Approved | Most recent IF: 4.536; 2015 IF: 4.772 | ||
| Call Number | c:irua:126409 | Serial | 3270 | ||
| Permanent link to this record | |||||
| Author |
Esfahani, D.N.; Covaci, L.; Peeters, F.M. | ||||
| Title | Field effect on surface states in a doped Mott-insulator thin film | Type | A1 Journal article | ||
| Year | 2013 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 87 | Issue | 3 | Pages | 035131-35136 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Surface effects of a doped thin film made of a strongly correlated material are investigated both in the absence and presence of a perpendicular electric field. We use an inhomogeneous Gutzwiller approximation for a single-band Hubbard model in order to describe correlation effects. For low doping, the bulk value of the quasiparticle weight is recovered exponentially deep into the slab, but with increasing doping, additional Friedel oscillations appear near the surface. We show that the inverse correlation length has a power-law dependence on the doping level. In the presence of an electrical field, considerable changes in the quasiparticle weight can be realized throughout the system. We observe a large difference (as large as five orders of magnitude) in the quasiparticle weight near the opposite sides of the slab. This effect can be significant in switching devices that use the surface states for transport. DOI: 10.1103/PhysRevB.87.035131 | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000313941000001 | Publication Date | 2013-01-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 4 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-VI). ; | Approved | Most recent IF: 3.836; 2013 IF: 3.664 | ||
| Call Number | UA @ lucian @ c:irua:110086 | Serial | 1190 | ||
| Permanent link to this record | |||||
| Author |
Esfahani, D.N.; Covaci, L.; Peeters, F.M. | ||||
| Title | Nonlinear response to electric field in extended Hubbard models | Type | A1 Journal article | ||
| Year | 2014 | Publication | Physical review : B : condensed matter and materials physics | Abbreviated Journal | Phys Rev B |
| Volume | 90 | Issue | 20 | Pages | 205121 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The electric-field response of a one-dimensional ring of interacting fermions, where the interactions are described by the extended Hubbard model, is investigated. By using an accurate real-time propagation scheme based on the Chebyshev expansion of the evolution operator, we uncover various nonlinear regimes for a range of interaction parameters that allows modeling of metallic and insulating (either charge density wave or spin density wave insulators) rings. The metallic regime appears at the phase boundary between the two insulating phases and provides the opportunity to describe either weakly or strongly correlated metals. We find that the fidelity susceptibility of the ground state as a function of magnetic flux piercing the ring provides a very good measure of the short-time response. Even completely different interacting regimes behave in a similar manner at short time scales as long as the ground-state fidelity susceptibility is the same. Depending on the strength of the electric field we find various types of responses: persistent currents in the insulating phase, a dissipative regime, or damped Bloch-like oscillations with varying frequencies or even irregular in nature. Furthermore, we also consider the dimerization of the ring and describe the response of a correlated band insulator. In this case the distribution of the energy levels is more clustered and the Bloch-like oscillations become even more irregular. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000345423300002 | Publication Date | 2014-11-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1098-0121;1550-235X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.836 | Times cited | 3 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (Fonds Wetenschappelijk Onderzoek – FWO) and the Methusalem program of the Flemish government. One of us (L. C.) receives support as a postdoctoral fellow of the FWO. ; | Approved | Most recent IF: 3.836; 2014 IF: 3.736 | ||
| Call Number | UA @ lucian @ c:irua:122204 | Serial | 2355 | ||
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| Author |
Escoffier, W.; Grigorieva, I.V.; Misko, V.R.; Baelus, B.J.; Peeters, F.M.; Vinnikov, L.Y.; Dubnos, S. | ||||
| Title | Formation of vortex clusters and giant vortices in mesoscopic superconducting disks with strong disorder | Type | A1 Journal article | ||
| Year | 2008 | Publication | Journal of physics : conference series | Abbreviated Journal | |
| Volume | 97 | Issue | Pages | 012172,1-012172,6 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Merged, or giant, multi-quanta vortices (GVs) appear in very small superconductors near the superconducting transition due to strong confinement of magnetic flux. Here we present evidence for a new, pinning-related, mechanism for vortex merger. Using Bitter decoration to visualise vortices in small Nb disks, we show that confinement in combination with strong disorder causes individual vortices to merge into clusters/GVs well below Tc and Hc2, in contrast to well-defined shells of individual vortices found in the absence of pinning. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Bristol | Editor | ||
| Language | Wos | 000276054100171 | Publication Date | 2008-03-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1742-6596; | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ lucian @ c:irua:82320 | Serial | 1266 | ||
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| Author |
Erni, R.; Abakumov, A.M.; Rossell, M.D.; Batuk, D.; Tsirlin, A.A.; Nénert, G.; Van Tendeloo, G. | ||||
| Title | Nanoscale phase separation in perovskites revisited | Type | L1 Letter to the editor | ||
| Year | 2014 | Publication | Nature materials | Abbreviated Journal | Nat Mater |
| Volume | 13 | Issue | 3 | Pages | 216-217 |
| Keywords | L1 Letter to the editor; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000331945200002 | Publication Date | 2014-02-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1476-1122;1476-4660; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 39.737 | Times cited | 5 | Open Access | |
| Notes | Approved | Most recent IF: 39.737; 2014 IF: 36.503 | |||
| Call Number | UA @ lucian @ c:irua:114579 | Serial | 2270 | ||
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| Author |
Erfurt, D.; Koida, T.; Heinemann, M.D.; Li, C.; Bertram, T.; Nishinaga, J.; Szyszka, B.; Shibata, H.; Klenk, R.; Schlatmann, R. | ||||
| Title | Impact of rough substrates on hydrogen-doped indium oxides for the application in CIGS devices | Type | A1 Journal article | ||
| Year | 2020 | Publication | Solar Energy Materials And Solar Cells | Abbreviated Journal | Sol Energ Mat Sol C |
| Volume | 206 | Issue | Pages | 110300 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Indium oxide based transparent conductive oxides (TCOs) are promising contact layers in solar cells due to their outstanding electrical and optical properties. However, when applied in Cu(In,Ga)Se-2 or Si-hetero-junction solar cells the specific roughness of the material beneath can affect the growth and the properties of the TCO. We investigated the electrical properties of hydrogen doped and hydrogen-tungsten co-doped indium oxides grown on rough Cu(In,Ga)Se-2 samples as well as on textured and planar glass. At sharp ridges and V-shaped valleys crack-shaped voids form inside the indium oxide films, which limit the effective electron mobility of the In2O3:H and In2O3:H,W thin films. This was found for films deposited by magnetron sputtering and reactive plasma deposition at several deposition parameters, before as well as after annealing and solid phase crystallization. This suggests universal behavior that will have a wide impact on solar cell devices. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000519653800038 | Publication Date | 2019-11-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0927-0248 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.9 | Times cited | 5 | Open Access | OpenAccess |
| Notes | ; This work was supported by the German Federal Ministry for Economic Affairs and Energy under contract number 0325762G (TCO4CIGS). The authors thank M. Hartig, K. Mayer-Stillrich, I. Dorbandt, B. Bunn, M. Kirsch for technical support. C. Li is grateful for financial support from Max Planck Society, Germany and technical support from the MPI FKF StEM group members. ; | Approved | Most recent IF: 6.9; 2020 IF: 4.784 | ||
| Call Number | UA @ admin @ c:irua:168668 | Serial | 6544 | ||
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| Author |
Eren, I.; Ozen, S.; Sozen, Y.; Yagmurcukardes, M.; Sahin, H. | ||||
| Title | Vertical van der Waals heterostructure of single layer InSe and SiGe | Type | A1 Journal article | ||
| Year | 2019 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | J Phys Chem C |
| Volume | 123 | Issue | 51 | Pages | 31232-31237 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000505632900050 | Publication Date | 2019-12-03 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.536 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 4.536 | |||
| Call Number | UA @ admin @ c:irua:165718 | Serial | 6332 | ||
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| Author |
Ercolani, G.; Gorle, C.; Garcia Sánchez, C.; Corbari, C.; Mancini, M. | ||||
| Title | RAMS and WRF sensitivity to grid spacing in large-eddy simulations of the dry convective boundary layer | Type | A1 Journal article | ||
| Year | 2015 | Publication | Computers and fluids | Abbreviated Journal | Comput Fluids |
| Volume | 123 | Issue | 123 | Pages | 54-71 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Large-eddy simulations (LESS) are frequently used to model the planetary boundary layer, and the choice of the grid cell size, numerical schemes and sub grid model can significantly influence the simulation results. In the present paper the impact of grid spacing on LES of an idealized atmospheric convective boundary layer (CBL), for which the statistics and flow structures are well understood, is assessed for two mesoscale models: the Regional Atmospheric Modeling System (RAMS) and the Weather Research and Forecasting model (WRF). Nine simulations are performed on a fixed computational domain (6 x 6 x 2 km), combining three different horizontal (120, 60, 30 m) and vertical (20, 10, 5 m) spacings. The impact of the cell size on the CBL is investigated by comparing turbulence statistics and velocity spectra. The results demonstrate that both WRF and RAMS can perform LES of the CBL under consideration without requiring extremely high computational loads, but they also indicate the importance of adopting a computational grid that is adequate for the numerical schemes and subgrid models used. In both RAMS and WRF a horizontal cell size of 30 m is required to obtain a suitable turbulence reproduction throughout the CBL height. Considering the vertical grid spacing, WRF produced similar results for all the three tested values, while in RAMS it should be ensured that the aspect ratio of the cells does not exceed a value of 3. The two models were found to behave differently in function of the grid resolution, and they have different shortcomings in their prediction of CBL turbulence. WRF exhibits enhanced damping at the smallest scales, while RAMS is prone to the appearance of spurious fluctuations in the flow when the grid aspect ratio is too high. (C) 2015 Elsevier Ltd. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Oxford | Editor | ||
| Language | Wos | 000365367500006 | Publication Date | 2015-10-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0045-7930 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.313 | Times cited | 3 | Open Access | |
| Notes | Approved | Most recent IF: 2.313; 2015 IF: 1.619 | |||
| Call Number | UA @ lucian @ c:irua:130200 | Serial | 4236 | ||
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| Author |
Erbe, M.; Hänisch, J.; Hühne, R.; Freudenberg, T.; Kirchner, A.; Molina-Luna, L.; Damm, C.; Van Tendeloo, G.; Kaskel, S.; Schultz, L.; Holzapfel, B. | ||||
| Title | BaHfO3artificial pinning centres in TFA-MOD-derived YBCO and GdBCO thin films | Type | A1 Journal article | ||
| Year | 2015 | Publication | Superconductor science and technology | Abbreviated Journal | Supercond Sci Tech |
| Volume | 28 | Issue | 28 | Pages | 114002 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Chemical solution deposition (CSD) is a promising way to realize REBa2Cu3O7−x (REBCO;RE = rare earth (here Y, Gd))-coated conductors with high performance in applied magnetic fields. However, the preparation process contains numerous parameters which need to be tuned to achieve high-quality films. Therefore, we investigated the growth of REBCO thin films containing nanometre-scale BaHfO3 (BHO) particles as pinning centres for magnetic flux lines, with emphasis on the influence of crystallization temperature and substrate on the microstructure and superconductivity. Conductivity, microscopy and x-ray investigations show an enhanced performance of BHO nano-composites in comparison to pristine REBCO. Further, those measurements reveal the superiority of GdBCO to YBCO—e.g. by inductive critical current densities, Jc, at self-field and 77 K. YBCO is outperformed by more than 1 MA cm−2 with Jc values of up to 5.0 MA cm−2 for 265 nm thick layers of GdBCO(BHO) on lanthanum aluminate. Transport in-field Jc measurements demonstrate high pinning force maxima of around 4 GN m−3 for YBCO(BHO) and GdBCO(BHO). However, the irreversibility fields are appreciably higher for GdBCO. The critical temperature was not significantly reduced upon BHO addition to both YBCO and GdBCO, indicating a low tendency for Hf diffusion into the REBCO matrix. Angular-dependent Jc measurements show a reduction of the anisotropy in the same order of magnitude for both REBCO compounds. Theoretical models suggest that more than one sort of pinning centre is active in all CSD films. | ||||
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| Language | Wos | 000366193000003 | Publication Date | 2015-09-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0953-2048;1361-6668; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.878 | Times cited | 36 | Open Access | |
| Notes | Experimental work was mainly done at IFW Dresden. We thank Juliane Scheiter and Dr Jens Ingolf Mönch of IFW Dresden for technical assistance. The research leading to these results received funding from EUROTAPES, a collaborative project funded by the European Union Seventh Framework Programme (FP7/2007–2013) under grant agreement no. NMP-LA-2012-280 432. L Molina-Luna and G Van Tendeloo acknowledge funding from the European Research Council (ERC grant nr. 24 691-COUNTATOMS). | Approved | Most recent IF: 2.878; 2015 IF: 2.325 | ||
| Call Number | c:irua:129200 | Serial | 3941 | ||
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| Author |
Epurescu, G.; Dinescu, G.; Moldovan, A.; Birjega, R.; Dipietrantonio, F.; Verona, E.; Verardi, P.; Nistor, L.C.; Ghica, C.; Van Tendeloo, G.; Dinescu, A. | ||||
| Title | P-type ZnO thin films grown by RF plasma beam assisted Pulsed Laser Deposition | Type | A1 Journal article | ||
| Year | 2007 | Publication | Superlattices and microstructures | Abbreviated Journal | Superlattice Microst |
| Volume | 42 | Issue | 1-6 | Pages | 79-84 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000250271200015 | Publication Date | 2007-08-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0749-6036; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.123 | Times cited | 19 | Open Access | |
| Notes | Approved | Most recent IF: 2.123; 2007 IF: 1.344 | |||
| Call Number | UA @ lucian @ c:irua:66632 | Serial | 2549 | ||
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| Author |
Ennaert, T.; Geboers, J.; Gobechiya, E.; Courtin, C.M.; Kurttepeli, M.; Houthoofd, K.; Kirschhock, C.E.A.; Magusin, P.C.M.M.; Bals, S.; Jacobs, P.A.; Sels, B.F. | ||||
| Title | Conceptual frame rationalizing the self-stabilization of H-USY zeolites in hot liquid water | Type | A1 Journal article | ||
| Year | 2015 | Publication | ACS catalysis | Abbreviated Journal | Acs Catal |
| Volume | 5 | Issue | 5 | Pages | 754-768 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The wide range of liquid-phase reactions required for the catalytic conversion of biomass compounds into new bioplatform molecules defines a new set of challenges for the development of active, selective, and stable catalysts. The potential of bifunctional Ru/H-USY catalysts for conversions in hot liquid water (HLW) is assessed in terms of physicochemical stability and long-term catalytic performance of acid sites and noble metal functionality, as probed by hydrolytic hydrogenation of cellulose. It is shown that zeolite desilication is the main zeolite degradation mechanism in HLW. USY zeolite stability depends on two main parameters, viz., framework and extra-framework aluminum content. The former protects the zeolite lattice by counteracting hydrolysis of framework bonds, and the latter, when located at the external crystal surface, prevents solubilization of the zeolite framework which is the result of its low water-solubility. Hence, the hot liquid water stability of commercial H-USY zeolites, in contrast to their steam stability, increased with decreasing Si/AI ratio. As a result, mildly steamed USY zeolites containing a high amount of both Al species exhibit the highest resistance to HLW. During an initial period of transformations, Al-rich zeolites form additional protective extra-framework Al species at the outer surface, self-stabilizing the framework. A critical bulk Si/AI ratio of 3 was determined whereby USY zeolites with a lower Si/AI ratio will self-stabilize over time. Besides, due to the initial transformation period, the accessibility of the catalytic active sites is extensively enhanced resulting in a material that is more stable and drastically more accessible to large substrates than the original zeolite. When these findings are applied in the hydrolytic hydrogenation of cellulose, unprecedented nearly quantitative hexitol yields were obtained with a stable catalytic system. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000349275300031 | Publication Date | 2014-12-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2155-5435;2155-5435; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.614 | Times cited | 65 | Open Access | OpenAccess |
| Notes | 335078 Colouratom; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 10.614; 2015 IF: 9.312 | ||
| Call Number | c:irua:125288 | Serial | 474 | ||
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| Author |
Enjalbert, R.; Galy, J.; Castro, A.; Lidin, S.; Withers, R.; Van Tendeloo, G. | ||||
| Title | Order and twining in Sb2W0.75Mo0.25O6 | Type | A1 Journal article | ||
| Year | 2003 | Publication | Solid state sciences | Abbreviated Journal | Solid State Sci |
| Volume | 5 | Issue | 5 | Pages | 721-724 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000183284700006 | Publication Date | 2003-05-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1293-2558; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.811 | Times cited | 3 | Open Access | |
| Notes | Approved | Most recent IF: 1.811; 2003 IF: 1.327 | |||
| Call Number | UA @ lucian @ c:irua:54697 | Serial | 2500 | ||
| Permanent link to this record | |||||
| Author |
Engelmann; Bogaerts, A.; Neyts, E.C. | ||||
| Title | Thermodynamics at the nanoscale: phase diagrams of nickel-carbon nanoclusters and equilibrium constants for phase transitions | Type | A1 Journal article | ||
| Year | 2014 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 6 | Issue | 20 | Pages | 11981-11987 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Using reactive molecular dynamics simulations, the melting behavior of nickel-carbon nanoclusters is examined. The phase diagrams of icosahedral and Wulff polyhedron clusters are determined using both the Lindemann index and the potential energy. Formulae are derived for calculating the equilibrium constants and the solid and liquid fractions during a phase transition, allowing more rational determination of the melting temperature with respect to the arbitrary Lindemann value. These results give more insight into the properties of nickel-carbon nanoclusters in general and can specifically be very useful for a better understanding of the synthesis of carbon nanotubes using the catalytic chemical vapor deposition method. | ||||
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| Publisher | Place of Publication | Cambridge | Editor | ||
| Language | Wos | 000343000800049 | Publication Date | 2014-07-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364;2040-3372; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.367 | Times cited | 20 | Open Access | |
| Notes | Approved | Most recent IF: 7.367; 2014 IF: 7.394 | |||
| Call Number | UA @ lucian @ c:irua:121106 | Serial | 3637 | ||
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| Author |
Engelmann, Y.; van ’t Veer, K.; Gorbanev, Y.; Neyts, E.C.; Schneider, W.F.; Bogaerts, A. | ||||
| Title | Plasma Catalysis for Ammonia Synthesis: A Microkinetic Modeling Study on the Contributions of Eley–Rideal Reactions | Type | A1 Journal Article;Plasma catalysis | ||
| Year | 2021 | Publication | Acs Sustainable Chemistry & Engineering | Abbreviated Journal | Acs Sustain Chem Eng |
| Volume | 9 | Issue | 39 | Pages | 13151-13163 |
| Keywords | A1 Journal Article;Plasma catalysis; Eley−Rideal reactions; Volcano plots; Vibrational excitation; Radical reactions; Dielectric barrier discharge; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Plasma catalysis is an emerging new technology for the electrification and downscaling of NH3 synthesis. Increasing attention is being paid to the optimization of plasma catalysis with respect to the plasma conditions, the catalyst material, and their mutual interaction. In this work we use microkinetic models to study how the total conversion process is impacted by the combination of different plasma conditions and transition metal catalysts. We study how plasma-generated radicals and vibrationally excited N2 (present in a dielectric barrier discharge plasma) interact with the catalyst and impact the NH3 turnover frequencies (TOFs). Both filamentary and uniform plasmas are studied, based on plasma chemistry models that provided plasma phase speciation and vibrational distribution functions. The Langmuir−Hinshelwood reaction rate coefficients (i.e., adsorption reactions and subsequent reactions among adsorbates) are determined using conventional scaling relations. An additional set of Eley−Rideal reactions (i.e., direct reactions of plasma radicals with adsorbates) was added and a sensitivity analysis on the assumed reaction rate coefficients was performed. We first show the impact of different vibrational distribution functions on the catalytic dissociation of N2 and subsequent production of NH3, and we gradually include more radical reactions, to illustrate the contribution of these species and their corresponding reaction pathways. Analysis over a large range of catalysts indicates that different transition metals (metals such as Rh, Ni, Pt, and Pd) optimize the NH3TOFs depending on the population of the vibrational levels of N2. At higher concentrations of plasma-generated radicals, the NH3 TOFs become less dependent on the catalyst material, due to radical adsorptions on the more noble catalysts and Eley−Rideal reactions on the less noble catalysts. | ||||
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| Language | Wos | 000705367800004 | Publication Date | 2021-10-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.951 | Times cited | Open Access | OpenAccess | |
| Notes | Basic Energy Sciences, DE-SC0021107 ; Vlaamse regering, HBC.2019.0108 ; H2020 European Research Council, 810182 ; Methusalem project – University of Antwerp; Excellence of science FWO-FNRS, GoF9618n ; TOP-BOF – University of Antwerp; DOCPRO3 – University of Antwerp; We acknowledge the financial support from the DOC-PRO3, the TOP-BOF, and the Methusalem project of the University of Antwerp, as well as from the European Research Council (ERC) (grant agreement No, 810182−SCOPE ERC Synergy project), under the European Union’s Horizon 2020 research and innovation programme, the Flemish Government through the Moonshot cSBO project P2C (HBC.2019.0108), and the Excellence of Science FWO-FNRS project (FWO grant ID GoF9618n, EOS ID 30505023). Calculations were carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (Department EWI), 13162 | Approved | Most recent IF: 5.951 | ||
| Call Number | PLASMANT @ plasmant @c:irua:182482 | Serial | 6811 | ||
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