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| Author | Verheyen, E.; Jo, C.; Kurttepeli, M.; Vanbutsele, G.; Gobechiya, E.; Korányi, T.I.; Bals, S.; Van Tendeloo, G.; Ryoo, R.; Kirschhock, C.E.A.; Martens, J.A.; | ||||
| Title | Molecular shape-selectivity of MFI zeolite nanosheets in n-decane isomerization and hydrocracking | Type | A1 Journal article | ||
| Year | 2013 | Publication | Journal of catalysis | Abbreviated Journal  |
J Catal |
| Volume | 300 | Issue | Pages | 70-80 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | MFI zeolite nanosheets with thickness of 2 and 8 nm were synthesized, transformed into bifunctional catalysts by loading with platinum and tested in n-decane isomerization and hydrocracking. Detailed analysis of skeletal isomers and hydrocracked products revealed that the MFI nanosheets display transition-state shape-selectivity similar to bulk MFI zeolite crystals. The suppressed formation of bulky skeletal isomers and C5 cracking products are observed both in the nanosheets and the bulk crystals grown in three dimensions. This is typical for restricted transition-state shape-selectivity, characteristic for the MFI type pores. It is a first clear example of transition-state shape-selectivity inside a zeolitic nanosheet. Owing to the short diffusion path across the sheets, expression of diffusion-based discrimination of reaction products in the MFI nanosheets was limited. The 2-methylnonane formation among monobranched C10 isomers and 2,7-dimethyloctane among dibranched C10 isomers, which in MFI zeolite are favored by product diffusion, was much less favored on the nanosheets compared to the reference bulk ZSM-5 material. | ||||
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| Publisher | Place of Publication | San Diego, Calif. | Editor | ||
| Language | Wos | 000317558000009 | Publication Date | 2013-02-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0021-9517; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.844 | Times cited | 121 | Open Access | |
| Notes | Methusalem; IAP; Countatoms | Approved | Most recent IF: 6.844; 2013 IF: 6.073 | ||
| Call Number | UA @ lucian @ c:irua:106186 | Serial | 2181 | ||
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| Author | Li, M.R.; Adem, U.; McMitchell, S.R.C.; Xu, Z.; Thomas, C.I.; Warren, J.E.; Giap, D.V.; Niu, H.; Wan, X.; Palgrave, R.G.; Schiffmann, F.; Cora, F.; Slater, B.; Burnett, T.L.; Cain, M.G.; Abakumov, A.M.; Van Tendeloo, G.; Thomas, M.F.; Rosseinsky, M.J.; Claridge, J.B.; | ||||
| Title | A polar corundum oxide displaying weak ferromagnetism at room temperature | Type | A1 Journal article | ||
| Year | 2012 | Publication | Journal of the American Chemical Society | Abbreviated Journal |
J Am Chem Soc |
| Volume | 134 | Issue | 8 | Pages | 3737-3747 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Combining long-range magnetic order with polarity in the same structure is a prerequisite for the design of (magnetoelectric) multiferroic materials. There are now several demonstrated strategies to achieve this goal, but retaining magnetic order above room temperature remains a difficult target. Iron oxides in the +3 oxidation state have high magnetic ordering temperatures due to the size of the coupled moments. Here we prepare and characterize ScFeO3 (SFO), which under pressure and in strain-stabilized thin films adopts a polar variant of the corundum structure, one of the archetypal binary oxide structures. Polar corundum ScFeO3 has a weak ferromagnetic ground state below 356 K-this is in contrast to the purely antiferromagnetic ground state adopted by the well-studied ferroelectric BiFeO3. | ||||
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| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000301161600027 | Publication Date | 2012-01-23 | |
| 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 | 48 | Open Access | |
| Notes | Approved | Most recent IF: 13.858; 2012 IF: 10.677 | |||
| Call Number | UA @ lucian @ c:irua:97200 | Serial | 2658 | ||
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| Author | Han, Y.; Zeng, Y.; Hendrickx, M.; Hadermann, J.; Stephens, P.W.; Zhu, C.; Grams, C.P.; Hemberger, J.; Frank, C.; Li, S.; Wu, M.X.; Retuerto, M.; Croft, M.; Walker, D.; Yao, D.-X.; Greenblatt, M.; Li, M.-R. | ||||
| Title | Universal a-cation splitting in LiNbO₃-type structure driven by intrapositional multivalent coupling | Type | A1 Journal article | ||
| Year | 2020 | Publication | Journal Of The American Chemical Society | Abbreviated Journal |
J Am Chem Soc |
| Volume | 142 | Issue | 15 | Pages | 7168-7178 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Understanding the electric dipole switching in multiferroic materials requires deep insight of the atomic-scale local structure evolution to reveal the ferroelectric mechanism, which remains unclear and lacks a solid experimental indicator in high-pressure prepared LiNbO3-type polar magnets. Here, we report the discovery of Zn-ion splitting in LiNbO3-type Zn2FeNbO6 established by multiple diffraction techniques. The coexistence of a high-temperature paraelectric-like phase in the polar Zn2FeNbO6 lattice motivated us to revisit other high-pressure prepared LiNbO3-type A(2)BB'O-6 compounds. The A-site atomic splitting (similar to 1.0-1.2 angstrom between the split-atom pair) in B/B'-mixed Zn2FeTaO6 and O/N-mixed ZnTaO2N is verified by both powder X-ray diffraction structural refinements and high angle annular dark field scanning transmission electron microscopy images, but is absent in single-B-site ZnSnO3. Theoretical calculations are in good agreement with experimental results and suggest that this kind of A-site splitting also exists in the B-site mixed Mn-analogues, Mn2FeMO6 (M = Nb, Ta) and anion-mixed MnTaO2N, where the smaller A-site splitting (similar to 0.2 angstrom atomic displacement) is attributed to magnetic interactions and bonding between A and B cations. These findings reveal universal A-site splitting in LiNbO3-type structures with mixed multivalent B/B', or anionic sites, and the splitting-atomic displacement can be strongly suppressed by magnetic interactions and/or hybridization of valence bands between d electrons of the A- and B-site cations. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000526300600046 | Publication Date | 2020-03-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0002-7863 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 15 | Times cited | 1 | Open Access | Not_Open_Access |
| Notes | ; This work was supported by the National Science Foundation of China (NSFC-21875287), the Program for Guangdong Introducing Innovative and Entrepreneurial Teams (2017ZT07C069), and an NSF-DMR-1507252 grant (U.S.). Use of the NSLS, Brookhaven National Laboratory, was supported by the DOE BES (DE-AC02-98CH10886). M.R. is thankful for the Spanish Juan de la Cierva grant FPDI-2013-17582. Y.Z. and D.-X.Y. are supported by NKRDPC-2018YFA0306001, NKRDPC-2017YFA0206203, NSFC-11974432, NSFG-2019A1515011337, the National Supercomputer Center in Guangzhou, and the Leading Talent Program of Guangdong Special Projects. Work on IOP, CAS, was supported by NSFC and MOST grants. A portion of this research at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. J.H. and M.H. thank the FWO for support for the electron microscopy studies through grant G035619N. We thank beamline BL14B1 (Shanghai Synchrotron Radiation Facility) for providing beam time and help during the experiments. ; | Approved | Most recent IF: 15; 2020 IF: 13.858 | ||
| Call Number | UA @ admin @ c:irua:170294 | Serial | 6646 | ||
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| Author | Retuerto, M.; Yin, Z.; Emge, T.J.; Stephens, P.W.; Li, M.R.; Sarkar, T.; Croft, M.C.; Ignatov, A.; Yuan, Z.; Zhang, S.J.; Jin, C.; Paria Sena, R.; Hadermann, J.; Kotliar, G.; Greenblatt, M.; | ||||
| Title | Hole doping and structural transformation in CsTl1-xHgxCl3 | Type | A1 Journal article | ||
| Year | 2015 | Publication | Inorganic chemistry | Abbreviated Journal |
Inorg Chem |
| Volume | 54 | Issue | 54 | Pages | 1066-1075 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | CsTlCl3 and CsTlF3 perovskites have been theoretically predicted to be superconductors when properly hole-doped. Both compounds have been previously prepared as pure compounds: CsTlCl3 in a tetragonal (I4/m) and a cubic (Fm3̅m) perovskite polymorph and CsTlF3 as a cubic perovskite (Fm3̅m). In this work, substitution of Tl in CsTlCl3 with Hg is reported, in an attempt to hole-dope the system and induce superconductivity. The whole series CsTl1xHgxCl3 (x = 0.0, 0.1, 0.2, 0.4, 0.6, and 0.8) was prepared. CsTl0.9Hg0.1Cl3 is tetragonal as the more stable phase of CsTlCl3. However, CsTl0.8Hg0.2Cl3 is already cubic with the space group Fm3̅m and with two different positions for Tl+ and Tl3+. For x = 0.4 and 0.5, solid solutions could not be formed. For x ≥ 0.6, the samples are primitive cubic perovskites with one crystallographic position for Tl+, Tl3+, and Hg2+. All of the samples formed are insulating, and there is no signature of superconductivity. X-ray absorption spectroscopy indicates that all of the samples have a mixed-valence state of Tl+ and Tl3+. Raman spectroscopy shows the presence of the active TlClTl stretching mode over the whole series and the intensity of the TlClHg mode increases with increasing Hg content. First-principle calculations confirmed that the phases are insulators in their ground state and that Hg is not a good dopant in the search for superconductivity in this system. | ||||
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| Publisher | Place of Publication | Easton, Pa | Editor | ||
| Language | Wos | 000348887400048 | Publication Date | 2014-12-09 | |
| 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 | 5 | Open Access | |
| Notes | Approved | Most recent IF: 4.857; 2015 IF: 4.762 | |||
| Call Number | c:irua:124420 | Serial | 1476 | ||
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| Author | Retuerto, M.; Li, M.R.; Go, Y.B.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Hadermann, J.; Hodges, J.P.; Herber, R.H.; Nowik, I.; Greenblatt, M.; | ||||
| Title | Magnetic and structural studies of the multifunctional material SrFe0.75Mo0.25O3-\text{\textgreek{d}} | Type | A1 Journal article | ||
| Year | 2012 | Publication | Inorganic chemistry | Abbreviated Journal |
Inorg Chem |
| Volume | 51 | Issue | 22 | Pages | 12273-12280 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | SrFe0.75Mo0.25O3-delta has been recently discovered as an extremely efficient electrode for intermediate temperature solid oxide fuel cells (IT-SOFCs). We have performed structural and magnetic studies to fully characterize this multifunctional material. We have observed by powder neutron diffraction (PND) and transmission electron microscopy (TEM) that its crystal symmetry is better explained with a tetragonal symmetry (I4/mcm space group) than with the previously reported orthorhombic symmetry (Pnma space group). The temperature dependent magnetic properties indicate an exceptionally high magnetic ordering temperature (T-N similar to 750 K), well above room temperature. The ordered magnetic structure at low temperature was determined by PND to be an antiferromagnetic coupling of the Fe cations. Mossbauer spectroscopy corroborated the PND results. A detailed study, with X-ray absorption spectroscopy (XAS), in agreement with the Mossbauer results, confirmed the formal oxidation states of the cations to be mixed valence Fe3+/4+ and Mo6+. | ||||
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| Publisher | Place of Publication | Easton, Pa | Editor | ||
| Language | Wos | 000311173700024 | Publication Date | 2012-10-26 | |
| 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 | 12 | Open Access | |
| Notes | Approved | Most recent IF: 4.857; 2012 IF: 4.593 | |||
| Call Number | UA @ lucian @ c:irua:105142 | Serial | 1862 | ||
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| Author | Retuerto, M.; Li, M.R.; Ignatov, A.; Croft, M.; Ramanujachary, K.V.; Chi, S.; Hodges, J.P.; Dachraoui, W.; Hadermann, J.; Tran, T.T.; Halasyamani, P.S.; Grams, C.P.; Hemberger, J.; Greenblatt, M.; | ||||
| Title | Polar and magnetic layered A-site and rock salt B-site-ordered NaLnFeWO6 (Ln = La, Nd) perovskites | Type | A1 Journal article | ||
| Year | 2013 | Publication | Inorganic chemistry | Abbreviated Journal |
Inorg Chem |
| Volume | 52 | Issue | 21 | Pages | 12482-12491 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We have expanded the double perovskite family of materials with the unusual combination of layered order in the A sublattice and rock salt order over the B sublattice to compounds NaLaFeWO6 and NaNdFeWO6. The materials have been synthesized and studied by powder X-ray diffraction, neutron diffraction, electron diffraction, magnetic measurements, X-ray absorption spectroscopy, dielectric measurements, and second harmonic generation. At room temperature, the crystal structures of both compounds can be defined in the noncentrosymmetric monoclinic P2(1) space group resulting from the combination of ordering both in the A and B sublattices, the distortion of the cell due to tilting of the octahedra, and the displacement of certain cations. The magnetic studies show that both compounds are ordered antiferromagnetically below T-N approximate to 25 K for NaLaFeWO6 and at similar to 21 K for NaNdFeWO6. The magnetic structure of NaNdFeWO6 has been solved with a propagation vector k = (1/2 0 1/2) as an antiferromagnetic arrangement of Fe and Nd moments. Although the samples are potential multiferroics, the dielectric measurements do not show a ferroelectric response. | ||||
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| Publisher | Place of Publication | Easton, Pa | Editor | ||
| Language | Wos | 000326669200035 | Publication Date | 2013-10-18 | |
| 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 | 17 | Open Access | |
| Notes | Approved | Most recent IF: 4.857; 2013 IF: 4.794 | |||
| Call Number | UA @ lucian @ c:irua:112714 | Serial | 2656 | ||
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| Author | Retuerto, M.; Skiadopoulou, S.; Li, M.R.; Abakumov, A.M.; Croft, M.; Ignatov, A.; Sarkar, T.; Abbett, B.M.; Pokorný, J.; Savinov, M.; Nuzhnyy, D.; Prokleška, J.; Abeykoon, M.; Stephens, P.W.; Hodges, J.P.; Vaněk, P.; Fennie, C.J.; Rabe, K.M.; Kamba, S.; Greenblatt, M.; | ||||
| Title | Pb2MnTeO6 double perovskite : an antipolar anti-ferromagnet | Type | A1 Journal article | ||
| Year | 2016 | Publication | Inorganic chemistry | Abbreviated Journal |
Inorg Chem |
| Volume | 55 | Issue | 55 | Pages | 4320-4329 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Pb2MnTeO6, a new double perovskite, was synthesized. Its crystal structure was determined by synchrotron X-ray and powder neutron diffraction. Pb2MnTeO6 is monoclinic (I2/m) at room temperature with a regular arrangement of all the cations in their polyhedra. However, when the temperature is lowered to similar to 120 K it undergoes a phase transition from I2/m to C2/c structure. This transition is accompanied by a displacement of the Pb atoms from the center of their polyhedra due to the 6s2 lone-pair electrons, together with a surprising off-centering of Mn2+ (d5) magnetic cations. This strong first-order phase transition is also evidenced by specific heat, dielectric, Raman, and infrared spectroscopy measurements. The magnetic characterizations indicate an anti-ferromagnetic (AFM) order below TN approximate to 20 K; analysis of powder neutron diffraction data confirms the magnetic structure with propagation vector k = (0 1 0) and collinear AFM spins. The observed jump in dielectric permittivity near similar to 150 K implies possible anti-ferroelectric behavior; however, the absence of switching suggests that Pb2MnTeO6 can only be antipolar. First-principle calculations confirmed that the crystal and magnetic structures determined are locally stable and that anti-ferroelectric switching is unlikely to be observed in Pb2MnTeO6. | ||||
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| Publisher | Place of Publication | Easton, Pa | Editor | ||
| Language | Wos | 000375519700027 | Publication Date | 2016-04-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.857 | Times cited | 9 | Open Access | |
| Notes | Approved | Most recent IF: 4.857 | |||
| Call Number | UA @ lucian @ c:irua:134219 | Serial | 4258 | ||
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| Author | Li, M.-R.; Deng, Z.; Lapidus, S.H.; Stephens, P.W.; Segre, C.U.; Croft, M.; Sena, R.P.; Hadermann, J.; Walker, D.; Greenblatt, M. | ||||
| Title | Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9: in Search of Jahn-Teller Distorted Cr(II) Oxide | Type | A1 Journal article | ||
| Year | 2016 | Publication | Inorganic chemistry | Abbreviated Journal |
Inorg Chem |
| Volume | 55 | Issue | 55 | Pages | 10135-10142 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A novel 6H-type hexagonal perovskite Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 was prepared at high pressure (6 GPa) and temperature (1773 K). Both transmission electron microscopy and synchrotron powder X-ray diffraction data demonstrate that Ba-3(Cr0.97(1)Te0.03(1))(2)TeO9 crystallizes in P6(3)/mmc with face-shared (Cr0.97(1)Te0.03(1))O-6 octahedral pairs interconnected with TeO6 octahedra via corner-sharing. Structure analysis shows a mixed Cr2+/Cr3+ valence state with similar to 10% Cr2+. The existence of Cr2+ in Ba-3(Cr0.10(1)2+Cr0.87(1)3+Te0.036+)(2)TeO9 is further evidenced by X-ray absorption near-edge spectroscopy. Magnetic properties measurements show a paramagnetic response down to 4 K and a small glassy-state curvature at low temperature. In this work, the octahedral Cr2+O6 component is stabilized in an oxide material for the first time; the expected Jahn-Teller distortion of high-spin (d(4)) Cr2+ is not found, which is attributed to the small proportion of Cr2+ (similar to 10%) and the face-sharing arrangement of CrO6 octahedral pairs, which structurally disfavor axial distortion. | ||||
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| Publisher | Place of Publication | Easton, Pa | Editor | ||
| Language | Wos | 000385785700026 | Publication Date | 2016-09-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0020-1669 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.857 | Times cited | 2 | Open Access | |
| Notes | Approved | Most recent IF: 4.857 | |||
| Call Number | UA @ lucian @ c:irua:140313 | Serial | 4440 | ||
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| Author | Pietanza, L.D.; Guaitella, O.; Aquilanti, V.; Armenise, I.; Bogaerts, A.; Capitelli, M.; Colonna, G.; Guerra, V.; Engeln, R.; Kustova, E.; Lombardi, A.; Palazzetti, F.; Silva, T. | ||||
| Title | Advances in non-equilibrium $$\hbox {CO}_2$$ plasma kinetics: a theoretical and experimental review | Type | A1 Journal Article | ||
| Year | 2021 | Publication | European Physical Journal D | Abbreviated Journal |
Eur Phys J D |
| Volume | 75 | Issue | 9 | Pages | 237 |
| Keywords | A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ; | ||||
| Abstract | Numerous applications have required the study of CO2 plasmas since the 1960s, from CO2 lasers to spacecraft heat shields. However, in recent years, intense research activities on the subject have restarted because of environmental problems associated with CO2 emissions. The present review provides a synthesis of the current state of knowledge on the physical chemistry of cold CO2 plasmas. In particular, the different modeling approaches implemented to address specific aspects of CO2 plasmas are presented. Throughout the paper, the importance of conducting joint experimental, theoretical and modeling studies to elucidate the complex couplings at play in CO2 plasmas is emphasized. Therefore, the experimental data that are likely to bring relevant constraints to the different modeling approaches are first reviewed. Second, the calculation of some key elementary processes obtained with semi-empirical, classical and quantum methods is presented. In order to describe the electron kinetics, the latest coherent sets of cross section satisfying the constraints of “electron swarm” analyses are introduced, and the need for self-consistent calculations for determining accurate electron energy distribution function (EEDF) is evidenced. The main findings of the latest zero-dimensional (0D) global models about the complex chemistry of CO2 and its dissociation products in different plasma discharges are then given, and full state-to-state (STS) models of only the vibrational-dissociation kinetics developed for studies of spacecraft shields are described. Finally, two important points for all applications using CO2 containing plasma are discussed: the role of surfaces in contact with the plasma, and the need for 2D/3D models to capture the main features of complex reactor geometries including effects induced by fluid dynamics on the plasma properties. In addition to bringing together the latest advances in the description of CO2 non-equilibrium plasmas, the results presented here also highlight the fundamental data that are still missing and the possible routes that still need to be investigated. | ||||
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| Language | Wos | 000692394800001 | Publication Date | 2021-09-01 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1434-6060 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.288 | Times cited | Open Access | OpenAccess | |
| Notes | Russian Science Foundation, project 19-11-00041 ; Marie Skłodowska-Curie Actions, grant agreement 813393 grant agreement 813393 ; H2020 Marie Skłodowska-Curie Actions, grant agreement 813393 grant agreement 813393 ; Fundação para a Ciência e a Tecnologia, UIDB/50010/2020 and UIDP/50010/2020 UIDB/50010/2020 and UIDP/50010/2020 ; Università degli Studi di Perugia, AMIS project (Dipartimenti di Eccellenza-2018-2022) Dipartimento di Chimica, Biologia e Biotecnologie (Fondo Ricerca di Base 2019 program)) ; agenzia spaziale italiana, ASI N. 2019-3-U.0 ; The work of Kustova is supported by the Russian Science Foundation, project 19-11-00041. The work of Guerra, Bogaerts, Engeln and Guaitella has received funding from the European Union’s Horizon 2020 research and innovation programme under the Marie SklodowskaCurie grant agreement No 813393, Guerra and Silva were partially funded by the Portuguese FCT – Fundação para | Approved | Most recent IF: 1.288 | ||
| Call Number | PLASMANT @ plasmant @c:irua:181081 | Serial | 6809 | ||
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| Author | Van Tendeloo, L.; Wangermez, W.; Kurttepeli, M.; de Blochouse, B.; Bals, S.; Van Tendeloo, G.; Martens, J.A.; Maes, A.; Kirschhock, C.E.A.; Breynaert, E. | ||||
| Title | Chabazite : stable cation-exchanger in hyper alkaline concrete pore water | Type | A1 Journal article | ||
| Year | 2015 | Publication | Environmental science and technology | Abbreviated Journal |
Environ Sci Technol |
| Volume | 49 | Issue | 49 | Pages | 2358-2365 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | To avoid impact on the environment, facilities for permanent disposal of hazardous waste adopt multibarrier design schemes. As the primary barrier very often consists of cement-based materials, two distinct aspects are essential for the selection of suitable complementary barriers: (1) selective sorption of the contaminants in the repository and (2) long-term chemical stability in hyperalkaline concrete-derived media. A multidisciplinary approach combining experimental strategies from environmental chemistry and materials science is therefore essential to provide a reliable assessment of potential candidate materials. Chabazite is typically synthesized in 1 M KOH solutions but also crystallizes in simulated young cement pore water, a pH 13 aqueous solution mainly containing K+ and Na+ cations. Its formation and stability in this medium was evaluated as a function of temperature (60 and 85 °C) over a timeframe of more than 2 years and was also asessed from a mechanistic point of view. Chabazite demonstrates excellent cation-exchange properties in simulated young cement pore water. Comparison of its Cs+ cation exchange properties at pH 8 and pH 13 unexpectedly demonstrated an increase of the KD with increasing pH. The combined results identify chabazite as a valid candidate for inclusion in engineered barriers for concrete-based waste disposal. | ||||
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| Publisher | Place of Publication | Easton, Pa | Editor | ||
| Language | Wos | 000349806400047 | Publication Date | 2015-01-08 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0013-936X;1520-5851; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.198 | Times cited | 13 | Open Access | OpenAccess |
| Notes | This work was supported by long-term structural funding by the Flemish Government (Methusalem) and by ONDRAF/ NIRAS, the Belgian Agency for Radioactive Waste and Fissile Materials, as part of the program on surface disposal of Belgian Category A waste. The Belgian government is acknowledged for financing the interuniversity poles of attraction (IAP-PAI). G.V.T. and S.B. acknowledge financial support from European Research Council (ERC Advanced Grant no. 24691-COUNTATOMS, ERC Starting Grant no. 335078-COLOURATOMS).; ECAS_Sara; (ROMEO:white; preprint:; postprint:restricted 12 months embargo; pdfversion:cannot); | Approved | Most recent IF: 6.198; 2015 IF: 5.330 | ||
| Call Number | c:irua:127695 | Serial | 307 | ||
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| Author | Jorli, M.; Van Passel, S.; Sadeghi, H.; Nasseri, A.; Agheli, L. | ||||
| Title | Estimating human health impacts and costs due to Iranian fossil fuel power plant emissions through the impact pathway approach | Type | A1 Journal article | ||
| Year | 2017 | Publication | Energies | Abbreviated Journal |
Energies |
| Volume | 10 | Issue | 12 | Pages | 2136-29 |
| Keywords | A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) | ||||
| Abstract | Air pollutants from fossil fuel fired power plants harm the environment and human health. More than 91% of Irans electricity production is from thermal power plants that use natural gas, diesel, and fuel oil. We apply the impact pathway approach to estimate the health impacts arising from Iranian fossil-based electricity generation emission, and in a next step, we calculate monetary costs of the estimated damages, for a one-year period starting from 20 March 2016 through 2017. We use the new version of SIMPACTS (International Atomic Energy Agency, Vienna, Austria) to investigate the health effects from 61 major Iran fossil-based power plants separately. The selected plants represent 95.6% of total Iran fossil-based power generation. Using the individual and different power plant estimates, we avoid extrapolation and our results can be considered more reliable, taking into account spatial differences. The total damage cost is 723.42 million USD (2000). The damage cost per generated electricity varies from 0.06 to 22.41 USD/MWh and average plant damage cost is 2.85 USD/MWh. Accounting for these external costs indicates the actual costs of fossil energy. The results are useful for policy makers to compare the health costs from these plants and to decide on cleaner energy sources and to take measures to increase benefits for society. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000423156900207 | Publication Date | 2017-12-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1996-1073 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.262 | Times cited | 4 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.262 | ||
| Call Number | UA @ admin @ c:irua:149041 | Serial | 6200 | ||
| Permanent link to this record | |||||
| Author | Jorli, M.; Van Passel, S.; Saghdel, H.S. | ||||
| Title | External costs from fossil electricity generation : a review of the applied impact pathway approach | Type | A1 Journal article | ||
| Year | 2018 | Publication | Energy & Environment | Abbreviated Journal |
Energ Environ-Uk |
| Volume | 29 | Issue | 5 | Pages | 635-648 |
| Keywords | A1 Journal article; Engineering Management (ENM) | ||||
| Abstract | This paper reviews and compares 11 studies that have estimated external costs of fossil electricity generation by benefits transfer. These studies include 13 countries and most of these countries are developing countries. The impact pathway approach is applied to estimate the environmental impact arising from fossil fuel-fired power plant's air emission and the related damages on human health. The estimated damages are used to value the monetary external costs from fossil fuel electricity generation. The estimated external costs in the 13 countries vary from 0.51 to 213.5 USD (2005) per MWh due to differences in fossil fuel quality, location, technology, and efficiency of power plants and additionally differences in assumptions, monetization values, and impact estimations. Accounting for these externalities can indicate the actual costs of fossil energy. The results can be applied by policy makers to take measures to avoid additional costs and to apply newer and cleaner energy sources. The described methods in the selected studies for estimating the external costs with respect to incomplete local data can be applied as a useful example for other developing countries. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000440685300001 | Publication Date | 2018-03-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0958-305x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 0.302 | Times cited | 3 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 0.302 | ||
| Call Number | UA @ admin @ c:irua:153136 | Serial | 6201 | ||
| Permanent link to this record | |||||
| Author | Berthold, T.; Castro, C.R.; Winter, M.; Hoerpel, G.; Kurttepeli, M.; Bals, S.; Antonietti, M.; Fechler, N. | ||||
| Title | Tunable nitrogen-doped carbon nanoparticles from tannic acid and urea and their potential for sustainable soots | Type | A1 Journal article | ||
| Year | 2017 | Publication | ChemNanoMat : chemistry of nanomaterials for energy, biology and more | Abbreviated Journal |
Chemnanomat |
| Volume | 3 | Issue | 3 | Pages | 311-318 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nano-sized nitrogen-doped carbon spheres are synthesized from two cheap, readily available and sustainable precursors: tannic acid and urea. In combination with a polymer structuring agent, nitrogen content, sphere size and the surface (up to 400 m(2)g(-1)) can be conveniently tuned by the precursor ratio, temperature and structuring agent content. Because the chosen precursors allow simple oven synthesis and avoid harsh conditions, this carbon nanosphere platform offers a more sustainable alternative to classical soots, for example, as printing pigments or conduction soots. The carbon spheres are demonstrated to be a promising as conductive carbon additive in anode materials for lithium ion batteries. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000403299200006 | Publication Date | 2017-03-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2199-692x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.937 | Times cited | 14 | Open Access | OpenAccess |
| Notes | ; S.B. is grateful for funding by the European Research Council (ERC starting grant # 335078-COLOURATOMS). ; ecas_Sara | Approved | Most recent IF: 2.937 | ||
| Call Number | UA @ lucian @ c:irua:144287UA @ admin @ c:irua:144287 | Serial | 4699 | ||
| Permanent link to this record | |||||
| Author | Retuerto, M.; Emge, T.; Hadermann, J.; Stephens, P.W.; Li, M.R.; Yin, Z.P.; Croft, M.; Ignatov, A.; Zhang, S.J.; Yuan, Z.; Jin, C.; Simonson, J.W.; Aronson, M.C.; Pan, A.; Basov, D.N.; Kotliar, G.; Greenblatt, M.; | ||||
| Title | Synthesis and properties of charge-ordered thallium halide perovskites, CsTl0.5+Tl0.53+X3 (X = F or Cl) : theoretical precursors for superconductivity? | Type | A1 Journal article | ||
| Year | 2013 | Publication | Chemistry of materials | Abbreviated Journal |
Chem Mater |
| Volume | 25 | Issue | 20 | Pages | 4071-4079 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Recently, CsTlCl3 and CsTlF3 perovskites were theoretically predicted to be potential superconductors if they were optimally doped. The syntheses of these two compounds together with a complete characterization of the samples are reported. CsTlCl3 was obtained as orange crystals in two different polymorphs: a tetragonal phase (I4/m) and a cubic phase (Fm (3) over barm). CsTlF3 was formed as a light brown powder, and also as a double cubic perovskite (Fm (3) over barm). In all three CsTlX3 phases, Tl+ and Tl3+ were located in two different crystallographic positions that accommodate their different bond lengths. In CsTlCl3, some Tl vacancies were found in the Tl+ position. The charge ordering between Tl+ and Tl3+ was confirmed by X-ray absorption and Raman spectroscopy. The Raman spectroscopy of CsTlCl3 at high pressure (58 GPa) did not indicate any phase transition to a possible single Tl2+ state. However, the highly insulating material became less resistive with an increasing high pressure, while it underwent a change in its optical properties, from transparent to deeply opaque red, indicative of a decrease in the magnitude of the band gap. The theoretical design and experimental validation of the existence of CsTlF3 and CsTlCl3 cubic perovskites are the necessary first steps in confirming the theoretical prediction of superconductivity in these materials. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Washington, D.C. | Editor | ||
| Language | Wos | 000326209200017 | Publication Date | 2013-09-18 | |
| 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 | 28 | Open Access | |
| Notes | Approved | Most recent IF: 9.466; 2013 IF: 8.535 | |||
| Call Number | UA @ lucian @ c:irua:112248 | Serial | 3434 | ||
| Permanent link to this record | |||||
| Author | Houssa, M.; van den Broek, B.; Scalise, E.; Ealet, B.; Pourtois, G.; Chiappe, D.; Cinquanta, E.; Grazianetti, C.; Fanciulli, M.; Molle, A.; Afanas’ev, V.V.; Stesmans, A.; | ||||
| Title | Theoretical aspects of graphene-like group IV semiconductors | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied surface science | Abbreviated Journal |
Appl Surf Sci |
| Volume | 291 | Issue | Pages | 98-103 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Silicene and germanene are the silicon and germanium counterparts of graphene, respectively. Recent experimental works have reported the growth of silicene on (1 1 1)Ag surfaces with different atomic configurations, depending on the growth temperature and surface coverage. We first theoretically study the structural and electronic properties of silicene on (1 1 1) Ag surfaces, focusing on the (4 x 4) silicene/Ag structure. Due to symmetry breaking in the silicene layer (nonequivalent number of top and bottom Si atoms), the corrugated silicene layer, with the Ag substrate removed, is predicted to be semiconducting, with a computed energy bandgap of about 0.3 eV. However, the hybridization between the Si 3p orbitals and the Ag 5s orbital in the silicene/(1 1 1)Ag slab model leads to an overall metallic system, with a distribution of local electronic density of states, which is related to the slightly disordered structure of the silicene layer on the (1 1 1)Ag surface. We next study the interaction of silicene and germanene with different hexagonal non-metallic substrates, namely ZnS and ZnSe. On reconstructed (0 0 0 1)ZnS or ZnSe surfaces, which should be more energetically stable for very thin layers, silicene and germanene are found to be semiconducting. Remarkably, the nature and magnitude of their energy bandgap can be controlled by an out-of-plane electric field, an important finding for the potential use of these materials in nanoelectronic devices. (C) 2013 Elsevier B. V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000329327700022 | Publication Date | 2013-09-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0169-4332; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.387 | Times cited | 20 | Open Access | |
| Notes | Approved | Most recent IF: 3.387; 2014 IF: 2.711 | |||
| Call Number | UA @ lucian @ c:irua:113765 | Serial | 3603 | ||
| Permanent link to this record | |||||
| Author | Scalise, E.; Cinquanta, E.; Houssa, M.; van den Broek, B.; Chiappe, D.; Grazianetti, C.; Pourtois, G.; Ealet, B.; Molle, A.; Fanciulli, M.; Afanas’ev, V.V.; Stesmans, A.; | ||||
| Title | Vibrational properties of epitaxial silicene layers on (111) Ag | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied surface science | Abbreviated Journal |
Appl Surf Sci |
| Volume | 291 | Issue | Pages | 113-117 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The electronic and vibrational properties of three different reconstructions of silicene on Ag(1 1 1) are calculated and compared to experimental results. The 2D epitaxial silicon layers, namely the (4 x 4), (root 13 x root 13) and (2 root 3 x 2 root 3) phases, exhibit different electronic and vibrational properties. Few peaks in the experimental Raman spectrum are identified and attributed to the vibrational modes of the silicene layers. The position and behavior of the Raman peaks with respect to the excitation energy are shown to be a fundamental tool to investigate and discern different phases of silicene on Ag( 1 1 1). (C) 2013 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000329327700025 | Publication Date | 2013-09-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0169-4332; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.387 | Times cited | 36 | Open Access | |
| Notes | Approved | Most recent IF: 3.387; 2014 IF: 2.711 | |||
| Call Number | UA @ lucian @ c:irua:113767 | Serial | 3843 | ||
| Permanent link to this record | |||||
| Author | Sheng, X.; Daems, N.; Geboes, B.; Kurttepeli, M.; Bals, S.; Breugelmans, T.; Hubin, A.; Vankelecom, I.F.J.; Pescarmona, P.P. | ||||
| Title | N-doped ordered mesoporous carbons prepared by a two-step nanocasting strategy as highly active and selective electrocatalysts for the reduction of O2 to H2O2 | Type | A1 Journal article | ||
| Year | 2015 | Publication | Applied catalysis : B : environmental | Abbreviated Journal |
Appl Catal B-Environ |
| Volume | 176-177 | Issue | 176-177 | Pages | 212-224 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | A new, two-step nanocasting method was developed to prepare N-doped ordered mesoporous carbon (NOMC) electrocatalysts for the reduction of O2 to H2O2. Our strategy involves the sequential pyrolysis of two inexpensive and readily available N and C precursors, i.e. aniline and dihydroxynaphthalene (DHN), inside the pores of a SBA-15 hard silica template to obtain N-doped graphitic carbon materials with well-ordered pores and high surface areas (764 and 877 m2g−1). By tuning the ratio of carbon sources to silica template, it was possible to achieve an optimal filling of the pores of the SBA-15 silica and to minimise carbon species outside the pores. These NOMC materials displayed outstanding electrocatalytic activity in the oxygen reduction reaction, achieving a remarkably enhanced kinetic current density compared to state-of-the-art N-doped carbon materials (−16.7 mA cm−2 at −0.35 V vs. Ag/AgCl in a 0.1 M KOH solution as electrolyte). The NOMC electrocatalysts showed high selectivity toward the two-electron reduction of oxygen to hydrogen peroxide and excellent long-term stability. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000356549200022 | Publication Date | 2015-04-05 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.446 | Times cited | 111 | Open Access | OpenAccess |
| Notes | 335078 Colouratom; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); | Approved | Most recent IF: 9.446; 2015 IF: 7.435 | ||
| Call Number | c:irua:125370 | Serial | 2246 | ||
| Permanent link to this record | |||||
| Author | Verbruggen, S.W.; Deng, S.; Kurttepeli, M.; Cott, D.J.; Vereecken, P.M.; Bals, S.; Martens, J.A.; Detavernier, C.; Lenaerts, S. | ||||
| Title | Photocatalytic acetaldehyde oxidation in air using spacious TiO2 films prepared by atomic layer deposition on supported carbonaceous sacrificial templates | Type | A1 Journal article | ||
| Year | 2014 | Publication | Applied catalysis : B : environmental | Abbreviated Journal |
Appl Catal B-Environ |
| Volume | 160 | Issue | Pages | 204-210 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Supported carbon nanosheets and carbon nanotubes served as sacrificial templates for preparing spacious TiO2 photocatalytic thin films. Amorphous TiO2 was deposited conformally on the carbonaceous template material by atomic layer deposition (ALD). Upon calcination at 550 °C, the carbon template was oxidatively removed and the as-deposited continuous amorphous TiO2 layers transformed into interlinked anatase nanoparticles with an overall morphology commensurate to the original template structure. The effect of type of template, number of ALD cycles and gas residence time of pollutant on the photocatalytic activity, as well as the stability of the photocatalytic performance of these thin films was investigated. The TiO2 films exhibited excellent photocatalytic activity toward photocatalytic degradation of acetaldehyde in air as a model reaction for photocatalytic indoor air pollution abatement. Optimized films outperformed a reference film of commercial PC500. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000340687900024 | Publication Date | 2014-05-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0926-3373; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.446 | Times cited | 37 | Open Access | OpenAccess |
| Notes | 335078 Colouratom; Iap-Pai P7/05; Fwo; ECAS_Sara; (ROMEO:green; preprint:; postprint:can ; pdfversion:cannot); | Approved | Most recent IF: 9.446; 2014 IF: 7.435 | ||
| Call Number | UA @ lucian @ c:irua:117094 | Serial | 2608 | ||
| Permanent link to this record | |||||
| Author | Li, M.R.; Walker, D.; Retuerto, M.; Sarkar, T.; Hadermann, J.; Stephens, P.W.; Croft, M.; Ignatov, A.; Grams, C.P.; Hemberger, J.; Nowik, I.; Halasyamani, P.S.; Tran, T.T.; Mukherjee, S.; Dasgupta, T.S.; Greenblatt, M.; | ||||
| Title | Polar and magnetic Mn2FeMO6 (M=Nb, Ta) with LiNbO3-type structure : high-pressure synthesis | Type | A1 Journal article | ||
| Year | 2013 | Publication | Angewandte Chemie: international edition in English | Abbreviated Journal |
Angew Chem Int Edit |
| Volume | 52 | Issue | 32 | Pages | 8406-8410 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000322631600044 | Publication Date | 2013-06-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1433-7851; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 11.994 | Times cited | 53 | Open Access | |
| Notes | Approved | Most recent IF: 11.994; 2013 IF: 11.336 | |||
| Call Number | UA @ lucian @ c:irua:110749 | Serial | 2657 | ||
| Permanent link to this record | |||||
| Author | Li, M.R.; Retuerto, M.; Deng, Z.; Stephens, P.W.; Croft, M.; Huang, Q.; Wu, H.; Deng, X.; Kotliar, G.; Sánchez-Benítez, J.; Hadermann, J.; Walker, D.; Greenblatt, M.; | ||||
| Title | Giant magnetoresistance in the half-metallic double-perovskite ferrimagnet Mn2FeReO6 | Type | A1 Journal article | ||
| Year | 2015 | Publication | Angewandte Chemie: international edition in English | Abbreviated Journal |
Angew Chem Int Edit |
| Volume | 54 | Issue | 54 | Pages | 12069-12073 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The first transition-metal-only double perovskite compound, Mn2+ Fe-2(3+) Re5+ O-6, with 17 unpaired d electrons displays ferrimagnetic ordering up to 520K and a giant positive magnetoresistance of up to 220% at 5K and 8 T. These properties result from the ferrimagnetically coupled Fe and Re sublattice and are affected by a two-to-one magnetic-structure transition of the Mn sublattice when a magnetic field is applied. Theoretical calculations indicate that the half-metallic state can be mainly attributed to the spin polarization of the Fe and Re sites. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000363396000031 | Publication Date | 2015-08-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1433-7851; 0570-0833 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 11.994 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 11.994; 2015 IF: 11.261 | |||
| Call Number | UA @ lucian @ c:irua:129457 | Serial | 4186 | ||
| Permanent link to this record | |||||
| Author | Li, M.R.; Croft, M.; Stephens, P.W.; Ye, M.; Vanderbilt, D.; Retuerto, M.; Deng, Z.; Grams, C.P.; Hemberger, J.; Hadermann, J.; Li, W.M.; Jin, C.Q.; Saouma, F.O.; Jang, J.I.; Akamatsu, H.; Gopalan, V.; Walker, D.; Greenblatt, M.; | ||||
| Title | Mn2FeWO6 : a new Ni3TeO6-type polar and magnetic oxide | Type | A1 Journal article | ||
| Year | 2015 | Publication | Advanced materials | Abbreviated Journal |
Adv Mater |
| Volume | 27 | Issue | 27 | Pages | 2177-2181 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Mn22+Fe2+W6+O6, a new polar magnetic phase, adopts the corundum-derived Ni3TeO6-type structure with large spontaneous polarization (P-S) of 67.8 mu C cm-2, complex antiferromagnetic order below approximate to 75 K, and field-induced first-order transition to a ferrimagnetic phase below approximate to 30 K. First-principles calculations predict a ferrimagnetic (udu) ground state, optimal switching path along the c-axis, and transition to a lower energy udu-udd magnetic double cell. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000352548900004 | Publication Date | 2015-02-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0935-9648; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 19.791 | Times cited | 32 | Open Access | |
| Notes | Approved | Most recent IF: 19.791; 2015 IF: 17.493 | |||
| Call Number | c:irua:126002 | Serial | 3545 | ||
| Permanent link to this record | |||||
| Author | Ren, Z.; Wu, M.; Chen, X.; Li, W.; Li, M.; Wang, F.; Tian, H.; Chen, J.; Xie, Y.; Mai, J.; Li, X.; Lu, X.; Lu, Y.; Zhang, H.; Van Tendeloo, G.; Zhang, Z.; Han, G. | ||||
| Title | Electrostatic force-driven oxide heteroepitaxy for interface control | Type | A1 Journal article | ||
| Year | 2018 | Publication | Advanced materials | Abbreviated Journal |
Adv Mater |
| Volume | 30 | Issue | 38 | Pages | 1707017 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Oxide heterostructure interfaces create a platform to induce intriguing electric and magnetic functionalities for possible future devices. A general approach to control growth and interface structure of oxide heterostructures will offer a great opportunity for understanding and manipulating the functionalities. Here, it is reported that an electrostatic force, originating from a polar ferroelectric surface, can be used to drive oxide heteroepitaxy, giving rise to an atomically sharp and coherent interface by using a low-temperature solution method. These heterostructures adopt a fascinating selective growth, and show a saturation thickness and the reconstructed interface with concentrated charges accumulation. The ferroelectric polarization screening, developing from a solid-liquid interface to the heterostructure interface, is decisive for the specific growth. At the interface, a charge transfer and accumulation take place for electrical compensation. The facile approach presented here can be extremely useful for controlling oxide heteroepitaxy and producing intriguing interface functionality via electrostatic engineering. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000444671900002 | Publication Date | 2018-08-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0935-9648 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 19.791 | Times cited | 4 | Open Access | Not_Open_Access |
| Notes | ; Z.H.R., M.J.W., and X.C. contributed equally to this work. This work was financially supported by the National Natural Science Foundation of China (Grant Nos. 51232006, 51472218, 11474249, 61574123, 11374009, and 11234011), the National 973 Program of China (Grant No. 2015CB654901), National Young 1000 Talents Program of China, the Fundamental Research Funds for the Central Universities (Grant No. 2017FZA4008), and the 111 Project under Grant No. B16042. J.M. and X.L. gratefully thank the beam time and technical supports provided by 23A SWAXS beamline at NSRRC, Hsinchu. ; | Approved | Most recent IF: 19.791 | ||
| Call Number | UA @ lucian @ c:irua:153628 | Serial | 5098 | ||
| Permanent link to this record | |||||
| Author | Van Aelst, J.; Verboekend, D.; Philippaerts, A.; Nuttens, N.; Kurttepeli, M.; Gobechiya, E.; Haouas, M.; Sree, S.P.; Denayer, J.F.M.; Martens, J.A.; Kirschhock, C.E.A.; Taulelle, F.; Bals, S.; Baron, G.V.; Jacobs, P.A.; Sels, B.F. | ||||
| Title | Catalyst design by NH4OH treatment of USY zeolite | Type | A1 Journal article | ||
| Year | 2015 | Publication | Advanced functional materials | Abbreviated Journal |
Adv Funct Mater |
| Volume | 25 | Issue | 25 | Pages | 7130-7144 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Hierarchical zeolites are a class of superior catalysts which couples the intrinsic zeolitic properties to enhanced accessibility and intracrystalline mass transport to and from the active sites. The design of hierarchical USY (Ultra-Stable Y) catalysts is achieved using a sustainable postsynthetic room temperature treatment with mildly alkaline NH4OH ( 0.02(M)) solutions. Starting from a commercial dealuminated USY zeolite (Si/Al = 47), a hierarchical material is obtained by selective and tuneable creation of interconnected and accessible small mesopores (2- 6 nm). In addition, the treatment immediately yields the NH4+ form without the need for additional ion exchange. After NH4OH modification, the crystal morphology is retained, whereas the microporosity and relative crystallinity are decreased. The gradual formation of dense amorphous phases throughout the crystal without significant framework atom leaching rationalizes the very high material yields (>90%). The superior catalytic performance of the developed hierarchical zeolites is demonstrated in the acid-catalyzed isomerization of alpha-pinene and the metal-catalyzed conjugation of safflower oil. Significant improvements in activity and selectivity are attained, as well as a lowered susceptibility to deactivation. The catalytic performance is intimately related to the introduced mesopores, hence enhanced mass transport capacity, and the retained intrinsic zeolitic properties. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | 000366503700003 | Publication Date | 2015-10-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1616-301x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.124 | Times cited | 64 | Open Access | OpenAccess |
| Notes | ; The authors thank Dr. M. Thommes and Dr. K. Cychosz for numerous and helpful discussions on the correct evaluation of the Ar isotherms. I. Cuppens is acknowledged for ICP-AES analyses. Research was funded through a PhD grant to J.V.A. of the Agency for Innovation by Science and Technology in Flanders (IWT). D.V. and A.P. acknowledge F.W.O.-Vlaanderen (Research Foundation Flanders) for a postdoctoral fellowship. N.N. thanks the KU Leuven for financial support (FLOF). E.G., C.K., and J.M. acknowledge the long-term structural funding by the Flemish Government (Methusalem). S.B. acknowledges the European Research Council for funding under the European Union's Seventh Framework Programme (FP7/2007-2013)/ERC grant agreement No. 335078-COLOURATOMS. The authors are grateful for financial support by the Belgian government through Interuniversity Attraction Poles (IAP-PAI). They also thank Oleon NV for supplying safflower oil. ; ecas_Sara | Approved | Most recent IF: 12.124; 2015 IF: 11.805 | ||
| Call Number | UA @ lucian @ c:irua:130214 | Serial | 4147 | ||
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| Author | Ghidelli, M.; Idrissi, H.; Gravier, S.; Blandin, J.-J.; Raskin, J.-P.; Schryvers, D.; Pardoen, T. | ||||
| Title | Homogeneous flow and size dependent mechanical behavior in highly ductile Zr 65 Ni 35 metallic glass films | Type | A1 Journal article | ||
| Year | 2017 | Publication | Acta materialia | Abbreviated Journal |
Acta Mater |
| Volume | 131 | Issue | 131 | Pages | 246-259 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Motivated by recent studies demonstrating a high strength – high ductility potential of nano-scale metallic glass samples, the mechanical response of freestanding Zr65Ni35 film with sub-micron thickness has been investigated by combining advanced on-chip tensile testing and electron microscopy. Large deformation up to 15% is found for specimen thicknesses below 500 nm with variations depending on specimen size and frame compliance. The deformation is homogenous until fracture, with no evidence of shear banding. The yield stress is doubled when decreasing the specimen cross-section, reaching ~3 GPa for small cross-sections. The fracture strain variation is related to both the stability of the test device and to the specimen size. The study concludes on clear disconnect between the mechanisms controlling the onset of plasticity and the fracture process. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000402343400023 | Publication Date | 2017-03-31 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6454 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.301 | Times cited | 42 | Open Access | OpenAccess |
| Notes | This work has been funded by the Belgian Science Policy through the IAP 7/21 project. We acknowledge IDS-FunMat for the PhD financial support.We thank the Renatech network and the PTA (Plateforme Technologique Amont) in Grenoble (France) for TFMG deposition facilities. The WINFAB infrastructure at the UCL and the help of R. Vayrette and M. Coulombier for the on-chip tests. H. Idrissi is currently mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). | Approved | Most recent IF: 5.301 | ||
| Call Number | EMAT @ emat @ c:irua:142642 | Serial | 4562 | ||
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| Author | Ghidelli, M.; Orekhov, A.; Bassi, A.L.; Terraneo, G.; Djemia, P.; Abadias, G.; Nord, M.; Béché, A.; Gauquelin, N.; Verbeeck, J.; Raskin, J.-p.; Schryvers, D.; Pardoen, T.; Idrissi, H. | ||||
| Title | Novel class of nanostructured metallic glass films with superior and tunable mechanical properties | Type | A1 Journal article | ||
| Year | 2021 | Publication | Acta Materialia | Abbreviated Journal |
Acta Mater |
| Volume | Issue | Pages | 116955 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A novel class of nanostructured Zr50Cu50 (%at.) metallic glass films with superior and tunable mechanical properties is produced by pulsed laser deposition. The process can be controlled to synthetize a wide range of film microstructures including dense fully amorphous, amorphous embedded with nanocrystals and amorphous nano-granular. A unique dense self-assembled nano-laminated atomic arrangement characterized by alternating Cu-rich and Zr/O-rich nanolayers with different local chemical enrichment and amorphous or amorphous-crystalline composite nanostructure has been discovered, while significant in-plane clustering is reported for films synthetized at high deposition pressures. This unique nanoarchitecture is at the basis of superior mechanical properties including large hardness and elastic modulus up to 10 and 140 GPa, respectively and outstanding total elongation to failure (>9%), leading to excellent strength/ductility balance, which can be tuned by playing with the film architecture. These results pave the way to the synthesis of novel class of engineered nanostructured metallic glass films with high structural performances attractive for a number of applications in microelectronics and coating industry. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000670077800004 | Publication Date | 2021-05-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6454 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.301 | Times cited | 27 | Open Access | OpenAccess |
| Notes | H.I. is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). This work was supported by the Fonds de la Recherche Scientifique – FNRS under Grant T.0178.19 and Grant CDR– J011320F. We acknowledge funding for the direct electron detector used in the 4D stem studies from the Hercules fund 'Direct electron detector for soft matter TEM' from the Flemish Government J.V acknowledges funding from the European Union's Horizon 2020 research and innovation program under grant agreement No 823717 – ESTEEM3. A.O. has received partial funding from the GOA project “Solarpaint” of the University of Antwerp. A.B. and J.V. acknowledge funding through FWO project G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund. M.G. and A.L.B acknowledge Chantelle Ekanem for support in PLD depositions. | Approved | Most recent IF: 5.301 | ||
| Call Number | EMAT @ emat @c:irua:178142 | Serial | 6761 | ||
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| Author | Zhang, L.; Lin, B.-C.; Wu, Y.-F.; Wu, H.; Huang, T.-W.; Chang, C.-R.; Ke, X.; Kurttepeli, M.; Tendeloo, G.V.; Xu, J.; Yu, D.; Liao, Z.-M. | ||||
| Title | Electronic Coupling between Graphene and Topological Insulator Induced Anomalous Magnetotransport Properties | Type | A1 Journal article | ||
| Year | 2017 | Publication | ACS nano | Abbreviated Journal |
Acs Nano |
| Volume | 11 | Issue | 11 | Pages | 6277-6285 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | It has been theoretically proposed that the spin textures of surface states in a topological insulator can be directly transferred to graphene by means of the proximity effect, which is very important for realizing the two-dimensional topological insulator based on graphene. Here we report the anomalous magnetotransport properties of graphene-topological insulator Bi2Se3 heterojunctions, which are sensitive to the electronic coupling between graphene and the topological surface state. The coupling between the p_z orbitals of graphene and the p orbitals of the surface states on the Bi2Se3 bottom surface can be enhanced by applying a perpendicular negative magnetic field, resulting in a giant negative magnetoresistance at the Dirac point up to about -91%. Obvious resistances dip in the transfer curve at the Dirac point is also observed in the hybrid devices, which is consistent with theoretical predictions of the distorted Dirac bands with nontrivial spin textures inherited from the Bi2Se3 surface states. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000404808000110 | Publication Date | 2017-05-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.942 | Times cited | 12 | Open Access | OpenAccess |
| Notes | ; This work was supported by National Key Research and Development Program of China (Nos. 2016YFA0300802, 2013CB934600) and NSFC (No. 11234001). ; | Approved | Most recent IF: 13.942 | ||
| Call Number | EMAT @ emat @ c:irua:143192 | Serial | 4569 | ||
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| Author | Hinterding, S.O.M.; Berends, A.C.; Kurttepeli, M.; Moret, M.-E.; Meeldijk, J.D.; Bals, S.; van der Stam, W.; de Donega, C.M. | ||||
| Title | Tailoring Cu+ for Ga3+ cation exchange in Cu2-xS and CuInS2 nanocrystals by controlling the Ga precursor chemistry | Type | A1 Journal article | ||
| Year | 2019 | Publication | ACS nano | Abbreviated Journal |
Acs Nano |
| Volume | 13 | Issue | 13 | Pages | 12880-12893 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nanoscale cation exchange (CE) has resulted in colloidal nanomaterials that are unattainable by direct synthesis methods. Aliovalent CE is complex and synthetically challenging because the exchange of an unequal number of host and guest cations is required to maintain charge balance. An approach to control aliovalent CE reactions is the use of a single reactant to both supply the guest cation and extract the host cation. Here, we study the application of GaCl3-L complexes [L = trioctylphosphine (TOP), triphenylphosphite (TPP), diphenylphosphine (DPP)] as reactants in the exchange of Cu+ for Ga3+ in Cu2-xS nanocrystals. We find that noncomplexed GaCl3 etches the nanocrystals by S2- extraction, whereas GaCl3-TOP is unreactive. Successful exchange of Cu+ for Ga3+ is only possible when GaCl3 is complexed with either TPP or DPP. This is attributed to the pivotal role of the Cu2-xS-GaCl3-L activated complex that forms at the surface of the nanocrystal at the onset of the CE reaction, which must be such that simultaneous Ga3+ insertion and Cu+ extraction can occur. This requisite is only met if GaCl3 is bound to a phosphine ligand, with a moderate bond strength, to allow facile dissociation of the complex at the nanocrystal surface. The general validity of this mechanism is demonstrated by using GaCl3-DPP to convert CuInS2 into (Cu,Ga,In)S-2 nanocrystals, which increases the photoluminescence quantum yield 10 -fold, while blue -shifting the photoluminescence into the NIR biological window. This highlights the general applicability of the mechanistic insights provided by our work. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000500650000061 | Publication Date | 2019-10-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.942 | Times cited | 27 | Open Access | OpenAccess |
| Notes | ; S.O.M.H., W.v.d.S., A.C.B., and C.d.M.D. acknowledge financial support from the division of Chemical Sciences (CW) of The Netherlands Organization for Scientific Research (NWO) under Grant Nos. ECHO.712.012.0001 and ECHO.712.014.001. S.B. acknowledges financial support from the European Research Council (ERC Consolidator Grant No. 815128-REALNANO). S.O.M.H. is supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation Programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. DFT calculations were carried out on the Dutch national e-infrastructure with the support of SURF Cooperative. This work was sponsored by NWO Physical Sciences for the use of supercomputer facilities. The authors thank Jessi van der Hoeven for EDS and TEM measurements. ; sygma | Approved | Most recent IF: 13.942 | ||
| Call Number | UA @ admin @ c:irua:165149 | Serial | 6324 | ||
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| Author | Locardi, F.; Samoli, M.; Martinelli, A.; Erdem, O.; Vale Magalhaes, D.; Bals, S.; Hens, Z. | ||||
| Title | Cyan emission in two-dimensional colloidal Cs2CdCl4:SB3+ Ruddlesden-Popper phase nanoplatelets | Type | A1 Journal article | ||
| Year | 2021 | Publication | Acs Nano | Abbreviated Journal |
Acs Nano |
| Volume | 15 | Issue | 11 | Pages | 17729-17737 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Metal halide perovskites are one of the most investigated materials in optoelectronics, with their lead-based counterparts being renowned for their enhanced optoelectronic performance. The 3D CsPbX3 structure has set the standard with many studies currently attempting to substitute lead with other metals while retaining the properties of this material. This effort has led to the fabrication of metal halides with lower dimensionality, wherein particular 2D layered perovskite structures have captured attention as inspiration for the next generation of colloidal semiconductors. Here we report the synthesis of the Ruddlesden-Popper Cs2CdCl4:Sb3+ phase as colloidal nanoplatelets (NPs) using a facile hot injection approach under atmospheric conditions. Through strict adjustment of the synthesis parameters with emphasis on the ligand ratio, we obtained NPs with a relatively uniform size and good morphological control. The particles were characterized through transmission electron microscopy, synchrotron X-ray diffraction, and pair distribution function analysis. The spectroscopic characterization revealed most strikingly an intense cyan emission under UV excitation with a measured PLQY of similar to 20%. The emission was attributed to the Sb3+-doping within the structure. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000747115200053 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.942 | Times cited | 34 | Open Access | OpenAccess |
| Notes | The authors acknowledge the European Synchrotron Radiation Facility for provision of synchrotron radiation facilities and they would like to thank Andrew Fitch for assistance in using beamline ID22 (proposal HC-4098). Z.H. and S.B acknowledge funding from the Research Foundation − Flanders (FWO-Vlaanderen under the SBO − PROCEED project (No: S0002019N). Z.H. acknowledges Ghent University for funding (BOF-GOA 01G01019). S.B. is grateful to the European Research Council (ERC Consolidator Grant 815128, REALNANO). F.L. thanks Emanuela Sartori and Stefano Toso for the fruitful discussions. M.S. would like to thank Olivier Janssens for collecting XRPD data and Gabriele Pippia for helpful insights and discussions. | Approved | Most recent IF: 13.942 | ||
| Call Number | UA @ admin @ c:irua:186465 | Serial | 7059 | ||
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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 | Verduyckt, J.; Van Hoof, M.; De Schouwer, F.; Wolberg, M.; Kurttepeli, M.; Eloy, P.; Gaigneaux, E.M.; Bals, S.; Kirschhock, C.E.A.; De Vos, D.E. | ||||
| Title | PdPb-catalyzed decarboxylation of proline to pyrrolidine : highly selective formation of a biobased amine in water | Type | A1 Journal article | ||
| Year | 2016 | Publication | ACS catalysis | Abbreviated Journal |
Acs Catal |
| Volume | 6 | Issue | 6 | Pages | 7303-7310 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Amino acids have huge potential as platform chemicals in the biobased industry. Pd-catalyzed decarboxylation is a very promising route for the valorization of these natural compounds derived from protein waste or fermentation. We report that the highly abundant and nonessential amino acid L-proline is very reactive in the Pd-catalyzed decarboxylation. Full conversions are obtained with Pd/C and different Pd/MeOx catalysts; this allowed the identification of the different side reactions and the mapping of the reaction network. Due to the high reactivity of pyrrolidine, the selectivity for pyrrolidine was initially low. By carefully modifying Pd/ZrO2 with Pb in a controlled manner-via two incipient wetness impregnation steps-the selectivity increased remarkably. Finally, a thorough investigation of the reaction parameters resulted in an increased activity of this modified catalyst and an even further enhanced selectivity under a low H-2 pressure of 4 bar at 235 degrees C in water. This results in a very selective and sustainable production route for the highly interesting pyrrolidine. | ||||
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| Language | Wos | 000387306100005 | Publication Date | 2016-09-16 | |
| 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 | 27 | Open Access | OpenAccess |
| Notes | ; J.V. and F.D.S. thank Fonds Wetenschappelijk Onderzoek (FWO) and Agency for Innovation by Science and Technology (IWT) for doctoral fellowships. D.D.V. acknowledges IWT and FWO for research project funding. D.D.V. and C.E.A.K. acknowledge the Flemish government for long-term structural funding through Methusalem. D.D.V. and S.B. acknowledge Belspo (IAP-PAI 7/05) for financial support. S.B. is grateful for funding by the European Research Council (ERC starting grant no. 335078-COLOURATOMS). The authors also thank the Department of Chemistry, University of Cologne, Germany for use of their XRD equipment. Finally, the assistance of Karel Duerinckx, Werner Wouters, Walter Vermandel, Ivo Stassen, Dries Jonckheere, Sabina Accardo and Bart Bueken with 11-1 NMR, pressure reactors, CO chemisorption, N<INF>2</INF> physisorption, SEM, gas phase FTIR and high-throughput XRD, respectively, is very much appreciated. ; ecas_Sara | Approved | Most recent IF: 10.614 | ||
| Call Number | UA @ lucian @ c:irua:139171 | Serial | 4445 | ||
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