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| Author | Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M. | ||||
| Title | Tuning the superconducting properties of nanomaterials | Type | H1 Book chapter | ||
| Year | 2009 | Publication | Abbreviated Journal | ||
| Volume | Issue | Pages  |
1-14 | ||
| Keywords | H1 Book chapter; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT) | ||||
| Abstract | Electron continement and its effect on the superconducting-to-normal phase transition driven by a magentic field and/or a current is studied in nanowires. Our investigation is based on a self-consistent numerical solution of the Bogoliubov-de Gennes equations. We find that in a parallel magneitc field and/or in the presence of a supercurrent the transition from the superconducting to the normal phase occurs as a cascade of discontinuous jumps in the superconducting order parameter for diameters D < 10 divided by 15 nm at T = 0. The critical magentic field exhibits quantum-size oscillations with pronounced resonant enhancements as a function of the wire radius. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Springer | Place of Publication | Dordrecht | Editor | |
| Language | Wos | 000274282900001 | Publication Date | 2009-07-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1874-6500; | ISBN | 978-90-481-3118-1 | 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:99226 | Serial | 3761 | ||
| Permanent link to this record | |||||
| Author | Pahlke, P.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Hanisch, J.; Sieger, M.; Usoskin, A.; Stromer, J.; Holzapfel, B.; Schultz, L.; Huhne, R. | ||||
| Title | Reduced Anisotropy and Enhanced In-Field Performance of Thick BaHfO3-Doped Films on ABAD-YSZ Templates | Type | A1 Journal article | ||
| Year | 2016 | Publication | IEEE transactions on applied superconductivity | Abbreviated Journal | |
| Volume | 26 | Issue | 26 | Pages |
1-4 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Pure and 6 mol% BaHfO3 (BHO) doped YBa2Cu3O7-δ (YBCO) films were prepared on CeO2-buffered ABAD-YSZ templates by pulsed laser deposition. The self-field Jc at 77 K reaches 1.1 MA/cm² in the doped sample compared to 2.5 MA/cm² in pure YBCO, at a film thickness of around 1 μm. Above a magnetic field of 2.2 T along B||c, Jc of the BHO-doped sample exceeds the Jc of the undoped film. The maximum pinning force density (FP,max) reaches a value of around 3 GN/cm² for both samples, but B(FP,max) increases from 1.4 T (pure) to a value of 2.9 T (BHO:YBCO). The Jc anisotropy curves of the doped sample show a large and broad peak at B||c and a strongly reduced anisotropy at all temperatures and fields compared to the pure sample. A complex defect structure with YBa2Cu4O8 intergrowths, Y2O3 precipitates and BHO nanocolumns with a fanshaped structure is observed by TEM investigations, which can explain the measured Jc(B,θ) behavior. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000376189700001 | Publication Date | 2016-03-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1051-8223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 14 | Open Access | ||
| Notes | This work was supported by EUROTAPES, a collaborative project funded by the European Union’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432. | Approved | Most recent IF: NA | ||
| Call Number | c:irua:133779 | Serial | 4078 | ||
| Permanent link to this record | |||||
| Author | Sieger, M.; Pahlke, P.; Hanisch, J.; Sparing, M.; Bianchetti, M.; MacManus-Driscoll, J.; Lao, M.; Eisterer, M.; Meledin, A.; Van Tendeloo, G.; Nast, R.; Schultz, L.; Holzapfel, B.; Huhne, R. | ||||
| Title | Ba2Y(Nb/Ta)O6–Doped YBCO Films on Biaxially Textured Ni–5at.% W Substrates | Type | A1 Journal article | ||
| Year | 2016 | Publication | IEEE transactions on applied superconductivity | Abbreviated Journal | |
| Volume | 26 | Issue | 26 | Pages |
1-5 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The incorporation of nanoscaled pinning centers in superconducting YBa2Cu3O7-d (YBCO) films is one of the core topics to enhance the critical current density Jc(B, Q) of coated conductors. The mixed double-perovskite Ba2Y(Nb/Ta)O6 (BYNTO) can be grown in nanosized columns parallel the YBCO c-axis and in step-like patterns, making it customizable to meet specific working conditions (T, B, Q). We compare a 1.6 μm thick film of pure YBCO and a similar film with additional 5 mol% of BYNTO, grown by pulsed laser deposition with a growth rate of 1.6 nm/s on buffered biaxially textured Ni-5at.% W tape. Our doped sample shows nanosized BYNTO columns parallel cYBCO and plates in the ab-plane containing Y, Nb and Ta. An improved homogeneity of the critical current density Jc over the sample was evaluated from trapped field profiles measured with a scanning Hall probe microscope. The mean Jc in rolling direction of the tape is 1.8 MA/cm² (77 K, self-field) and doubles the value of the undoped sample. Angular dependent measurements of the critical current density, Jc(Q), show a decreased anisotropy of the doped film for various magnetic fields at 77 K as well as 64 K. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000375581500001 | Publication Date | 2016-03-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1051-8223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 6 | Open Access | ||
| Notes | This work was supported by EUROTAPES, a collaborative project funded by the European Commission’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432. | Approved | Most recent IF: NA | ||
| Call Number | c:irua:133781 | Serial | 4079 | ||
| Permanent link to this record | |||||
| Author | Kirilenko, D.A.; Brunkov, P.N. | ||||
| Title | Measuring the height-to-height correlation function of corrugation in suspended graphene | Type | A1 Journal article | ||
| Year | 2016 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 165 | Issue | 165 | Pages |
1-7 |
| Keywords | A1 Journal article; Electron Microscopy for Materials Science (EMAT); | ||||
| Abstract | Nanocorrugation of 2D crystals is an important phenomenon since it affects their electronic and mechanical properties. The corrugation may have various sources; one of them is flexural phonons that, in particular, are responsible for the thermal conductivity of graphene. A study of corrugation of just the suspended graphene can reveal much of valuable information on the physics of this complicated phenomenon. At the same time, the suspended crystal nanorelief can hardly be measured directly because of high flexibility of the 2D crystal. Moreover, the relief portion related to rapid out-of-plane oscillations (flexural phonons) is also inaccessible by such measurements. Here we present a technique for measuring the Fourier components of the height-height correlation function H(q) of suspended graphene which includes the effect of flexural phonons. The technique is based on the analysis of electron diffraction patterns. The H(q) is measured in the range of wavevectors q approximately 0.4-4.5nm(-1). At the upper limit of this range H(q) does follow the T/kappaq(4) law. So, we measured the value of suspended graphene bending rigidity kappa=1.2+/-0.4eV at ambient temperature T approximately 300K. At intermediate wave vectors, H(q) follows a slightly weaker exponent than theoretically predicted q(-3.15) but is closer to the results of the molecular dynamics simulation. At low wave vectors, the dependence becomes even weaker, which may be a sign of influence of charge carriers on the dynamics of undulations longer than 10nm. The technique presented can be used for studying physics of flexural phonons in other 2D materials. | ||||
| Address | Ioffe Institute, Politekhnicheskaya ul. 26, 194021 St-Petersburg, Russia; ITMO University, Kronverksky pr. 49, 197101 St. Petersburg, Russia | ||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | English | Wos | 000375946200001 | Publication Date | 2016-03-28 |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | ||
| Impact Factor | 2.843 | Times cited | 3 | Open Access | |
| Notes | D.K. thanks the RFBR (Grant no. 16-32-60165) for the partial support of this research. The work was carried out in part at the Joint Research Center “Material Science and Characterization in Advanced Technologies” (St-Petersburg, Russia) under the financial support from the Ministry of Education and Science of the Russian Federation (Agreement 14.621.21.0007, 04.12.2014, id RFMEFI62114X0007, the use of the Jeol JEM-2100F microscope) and at EMAT, Universiteit Antwerpen (Antwerpen, Belgium), (the use of the FEI Tecnai G2 microscope). | Approved | Most recent IF: 2.843 | ||
| Call Number | EMAT @ emat @ | Serial | 4124 | ||
| Permanent link to this record | |||||
| Author | Liao, Z.L.; Green, R.J.; Gauquelin, N.; Gonnissen, J.; Van Aert, S.; Verbeeck, J.; et al. | ||||
| Title | Engineering properties by long range symmetry propagation initiated at perovskite heterostructure interface | Type | A1 Journal article | ||
| Year | 2016 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
| Volume | Issue | Pages |
1-25 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In epitaxial thin film systems, the crystal structure and its symmetry deviate from the bulk counterpart due to various mechanisms such as epitaxial strain and interfacial structural coupling, which induce an accompanying change in their properties. In perovskite materials, the crystal symmetry can be described by rotations of 6-fold coordinated transition metal oxygen octahedra, which are found to be altered at interfaces. Here, we unravel how the local oxygen octahedral coupling (OOC) at perovskite heterostructural interfaces initiates a different symmetry in epitaxial films and provide design rules to induce various symmetries in thin films by careful selecting appropriate combinations of substrate/buffer/film. Very interestingly we discovered that these combinations lead to symmetry changes throughout the full thickness of the film. Our results provide a deep insight into understanding the origin of induced crystal symmetry in a perovskite heterostructure and an intelligent route to achieve unique functional properties. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Weinheim | Editor | ||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1616-301x | ISBN | Additional Links | UA library record | |
| Impact Factor | 12.124 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 12.124 | |||
| Call Number | UA @ lucian @ c:irua:134842 | Serial | 4176 | ||
| Permanent link to this record | |||||
| Author | Sieger, M.; Pahlke, P.; Ottolinger, R.; Stafford, B.H.; Lao, M.; Meledin, A.; Bauer, M.; Eisterer, M.; Van Tendeloo, G.; Schultz, L.; Nielsch, K.; Hühne, R. | ||||
| Title | Influence of substrate tilt angle on the incorporation of BaHfO3 in thick YBa2Cu3O7-δ films | Type | A1 Journal article | ||
| Year | 2016 | Publication | IEEE transactions on applied superconductivity | Abbreviated Journal | |
| Volume | 27 | Issue | 27 | Pages |
1-4 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | High critical current densities can be realized in high-temperature superconductors such as YBa2Cu3O7-δ (YBCO) by controlling density, shape, size and direction of a secondary phase. Whereas the dependence on the growth rate and deposition temperature has been widely studied as key parameters for nano-engineering the pinning landscape, the vicinal tilt of the substrate surface might have an additional influence. Therefore, we deposited 6 mol% BaHfO3 (BHO) doped YBCO on SrTiO3 (STO) substrates with vicinal angles α between 0° and 40° to identify the influence of the tilt on the growth mode of BHO. An undisturbed epitaxial growth of the superconductor as well as an epitaxial integration of the BHO phase in the YBCO matrix is observed for all vicinal angles investigated. The critical temperature is constant up to α = 20°, whereas the self-field critical current density at 77 K starts to decrease above 10°. A detailed structural analysis of the film cross sections showed that the growth mode of BHO changes already for a vicinal tilt of 2° from a pure c-axis oriented growth to a layered structure with BHO aligned parallel to the YBCO ab-plane. We identified a strong influence of such a microstructure on the current flow in BHO doped YBCO films on STO substrates as well as on MgO based coated conductors prepared by inclined substrate deposition | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Institute of Electrical and Electronics Engineers (IEEE) | Place of Publication | Editor | ||
| Language | Wos | 000418469400001 | Publication Date | 2016-11-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1051-8223 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 3 | Open Access | ||
| Notes | This work was supported by EUROTAPES, a collaborative project funded by the European Commission’s Seventh Framework Program (FP7 / 2007 – 2013) under Grant Agreement n.280432.The authors would like to thank R. Nast, M. Reitner, M. Kühnel, U. Fiedler and J. Scheiter for technical assistance. | Approved | Most recent IF: NA | ||
| Call Number | EMAT @ emat @ Sieger_2016a c:irua:138603 | Serial | 4317 | ||
| Permanent link to this record | |||||
| Author | Bliokh, K.Y.; Ivanov, I.P.; Guzzinati, G.; Clark, L.; Van Boxem, R.; Béché, A.; Juchtmans, R.; Alonso, M.A.; Schattschneider, P.; Nori, F.; Verbeeck, J. | ||||
| Title | Theory and applications of free-electron vortex states | Type | A1 Journal article | ||
| Year | 2017 | Publication | Physics reports | Abbreviated Journal | Phys Rep |
| Volume | 690 | Issue | 690 | Pages |
1-70 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Both classical and quantum waves can form vortices: with helical phase fronts and azimuthal current densities. These features determine the intrinsic orbital angular momentum carried by localized vortex states. In the past 25 years, optical vortex beams have become an inherent part of modern optics, with many remarkable achievements and applications. In the past decade, it has been realized and demonstrated that such vortex beams or wavepackets can also appear in free electron waves, in particular, in electron microscopy. Interest in free-electron vortex states quickly spread over different areas of physics: from basic aspects of quantum mechanics, via applications for fine probing of matter (including individual atoms), to high-energy particle collision and radiation processes. Here we provide a comprehensive review of theoretical and experimental studies in this emerging field of research. We describe the main properties of electron vortex states, experimental achievements and possible applications within transmission electron microscopy, as well as the possible role of vortex electrons in relativistic and high-energy processes. We aim to provide a balanced description including a pedagogical introduction, solid theoretical basis, and a wide range of practical details. Special attention is paid to translate theoretical insights into suggestions for future experiments, in electron microscopy and beyond, in any situation where free electrons occur. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000406169900001 | Publication Date | 2017-05-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0370-1573 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 17.425 | Times cited | 210 | Open Access | OpenAccess |
| Notes | AFOSR, FA9550-14-1-0040 ; CREST, JPMJCR1676 ; Portuguese Fundação para a Ciência e a Tecnologia (FCT), IF/00989/2014/CP1214/CT0004 ; Austrian Science Fund, I543-N20 ; ERC, 278510 VORTEX ; We acknowledge discussions with Mark R. Dennis and Andrei Afanasev. This work was supported by the RIKEN Interdisciplinary Theoretical Science Research Group (iTHES) Project, the Multi-University Research Initiative (MURI) Center for Dynamic Magneto-Optics via the Air Force Office of Scientific Research (AFOSR) (Grant No. FA9550-14-1-0040), Grant-in-Aid for Scientific Research (A), Core Research for Evolutionary Science and Technology (CREST), the John Templeton Foundation, the Australian Research Council, the Portuguese Funda¸c˜ao para a Ciˆencia e a Tecnologia (FCT) (contract IF/00989/2014/CP1214/CT0004 under the IF2014 Program), contracts UID/FIS/00777/2013 and CERN/FIS-NUC/0010/2015 (partially funded through POCTI, COMPETE, QREN, and the European Union), Austrian Science Fund Grant No. I543-N20, the European Research Council under the 7th Framework Program (FP7) (ERC Starting Grant No. 278510 VORTEX), and FWO PhD Fellowship grants (Aspirant Fonds Wetenschappelijk OnderzoekVlaanderen). | Approved | Most recent IF: 17.425 | ||
| Call Number | EMAT @ emat @ c:irua:143262 | Serial | 4574 | ||
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| Author | De Decker, J.; Folens, K.; De Clercq, J.; Meledina, M.; Van Tendeloo, G.; Du Laing, G.; Van Der Voort, P. | ||||
| Title | Ship-in-a-bottle CMPO in MIL-101(Cr) for selective uranium recovery from aqueous streams through adsorption | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of hazardous materials | Abbreviated Journal | J Hazard Mater |
| Volume | 335 | Issue | Pages |
1-9 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Mesoporous MIL-101(Cr) is used as host for a ship-in-a-bottle type adsorbent for selective U(VI) recovery from aqueous environments. The acid-resistant cage-type MOF is built in-situ around N,N-Diisobutyl-2-(octylphenylphosphoryl)acetamide (CMPO), a sterically demanding ligand with high U(VI) affinity. This one-step procedure yields an adsorbent which is an ideal compromise between homogeneous and heterogeneous systems, where the ligand can act freely within the pores of MIL-101, without leaching, while the adsorbent is easy separable and reusable. The adsorbent was characterized by XRD, FTIR spectroscopy, nitrogen adsorption, XRF, ADF-STEM and EDX, to confirm and quantify the successful encapsulation of the CMPO in MIL-101, and the preservation of the host. Adsorption experiments with a central focus on U(VI) recovery were performed. Very high selectivity for U(VI) was observed, while competitive metal adsorption (rare earths, transition metals...) was almost negligible. The adsorption capacity was calculated at 5.32 mg U/g (pH 3) and 27.99 mg U/g (pH 4), by fitting equilibrium data to the Langmuir model. Adsorption kinetics correlated to the pseudo-second-order model, where more than 95% of maximum uptake is achieved within 375 min. The adsorbed U(VI) is easily recovered by desorption in 0.1 M HNO3. Three adsorption/desorption cycles were performed. (C) 2017 Elsevier B.V. All rights reserved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000402948600001 | Publication Date | 2017-04-09 | |
| 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 | 35 | Open Access | OpenAccess |
| Notes | ; The authors acknowledge the AUGent/UGent for financial support, Grant Number DEF12/AOP/008 fund IV1. ; | Approved | Most recent IF: 6.065 | ||
| Call Number | UA @ lucian @ c:irua:144153 | Serial | 4685 | ||
| Permanent link to this record | |||||
| Author | Denneulin, T.; Rouvière, J.L.; Béché, A.; Py, M.; Barnes, J.P.; Rochat, N.; Hartmann, J.M.; Cooper, D. | ||||
| Title | The reduction of the substitutional C content in annealed Si/SiGeC superlattices studied by dark-field electron holography | Type | A1 Journal article | ||
| Year | 2011 | Publication | Semiconductor science and technology | Abbreviated Journal | Semicond Sci Tech |
| Volume | 26 | Issue | 12 | Pages |
1-10 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Si/Si(1 − x − y)GexCy superlattices are used in the construction of new microelectronic architectures such as multichannel transistors. The introduction of carbon in SiGe allows for compensation of the strain and to avoid plastic relaxation. However, the formation of incoherent β-SiC clusters during annealing limits the processability of SiGeC. This precipitation leads to a modification of the strain in the alloy due to the reduction of the substitutional carbon content. Here, we investigated the strain in annealed Si/Si0.744Ge0.244C0.012 superlattices grown by reduced pressure chemical vapour deposition using dark-field electron holography. The variation of the substitutional C content was calculated by correlating the results with finite-element simulations. The obtained values were then compared with Fourier-transformed infrared spectrometry measurements. It was shown that after annealing for 2 min at 1050 °C carbon no longer has any influence on strain in the superlattice, which behaves like pure SiGe. However, a significant proportion of substitutional C atoms remain in a third-nearest neighbour (3nn) configuration. It was deduced that the influence of 3nn C on strain is negligible and that only isolated atoms have a significant contribution. It was also proposed that the 3nn configuration is an intermediary step during the formation of SiC clusters. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000300151300010 | Publication Date | 2011-11-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0268-1242 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.305 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 2.305; 2011 IF: 1.723 | |||
| Call Number | UA @ lucian @ c:irua:136427 | Serial | 4508 | ||
| Permanent link to this record | |||||
| Author | Istomin, S.Y.; Morozov, A.V.; Abdullayev, M.M.; Batuk, M.; Hadermann, J.; Kazakov, S.M.; Sobolev, A.V.; Presniakov, I.A.; Antipov, E.V. | ||||
| Title | High-temperature properties of (La,Ca)(Fe,Mg,Mo)O3-\delta perovskites as prospective electrode materials for symmetrical SOFC | Type | A1 Journal article | ||
| Year | 2018 | Publication | Journal of solid state chemistry | Abbreviated Journal | J Solid State Chem |
| Volume | 258 | Issue | 258 | Pages |
1-10 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | La1-yCayFe0.5+x(Mg,Mo)(0.5-x)O3-delta oxides with the orthorhombic GdFeO3-type perovskite structure have been synthesized at 1573 K. Transmission electron microscopy study for selected samples shows the coexistence of domains of perovskite phases with ordered and disordered B-cations. Mossbauer spectroscopy studies performed at 300 K and 573 K show that while compositions with low Ca-content (La0.55Ca0.45Fe0.5Mg0.2625Mo0.2375O3-delta and La0.5Ca0.5Fe0.6Mg0.175Mo0.225O3-delta) are nearly oxygen stoichiometric, La0.2Ca0.8Fe0.5Mg0.2625Mo0.2375O3-delta is oxygen deficient with delta approximate to 0.15. Oxides are stable in reducing atmosphere (Ar/H-2, 8%) at 1173 K for 12 h. No additional phases have been observed at XRPD patterns of all studied perovskites and Ce1-xGdxO2-x/2 electrolyte mixtures treated at 1173-1373K, while Fe-rich compositions (x >= 0.1) react with Zr1-xYxO2-x/2 electrolyte above 1273 K. Dilatometry studies reveal that all samples show rather low thermal expansion coefficients (TECs) in air of 11.4-12.7 ppm K-1. In reducing atmosphere their TECs were found to increase up to 12.1-15.4 ppm K-1 due to chemical expansion effect. High-temperature electrical conductivity measurements in air and Ar/H-2 atmosphere show that the highest conductivity is observed for Fe- and Ca-rich compositions. Moderate values of electrical conductivity and TEC together with stability towards chemical interaction with typical SOFC electrolytes make novel Fe-containing perovskites promising electrode materials for symmetrical solid oxide fuel cell. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000423650400001 | Publication Date | 2017-10-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-4596 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.299 | Times cited | 5 | Open Access | Not_Open_Access |
| Notes | ; This work was financially supported by Russian Science Foundation (project number 16-13-10327). ; | Approved | Most recent IF: 2.299 | ||
| Call Number | UA @ lucian @ c:irua:149283 | Serial | 4936 | ||
| Permanent link to this record | |||||
| Author | Wang, D.; Dasgupta, T.; van der Wee, E.B.; Zanaga, D.; Altantzis, T.; Wu, Y.; Coli, G.M.; Murray, C.B.; Bals, S.; Dijkstra, M.; van Blaaderen, A. | ||||
| Title | Binary icosahedral clusters of hard spheres in spherical confinement | Type | A1 Journal article | ||
| Year | 2020 | Publication | Nature Physics | Abbreviated Journal | Nat Phys |
| Volume | Issue | Pages |
1-9 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | The influence of geometry on the local and global packing of particles is important to many fundamental and applied research themes, such as the structure and stability of liquids, crystals and glasses. Here we show by experiments and simulations that a binary mixture of hard-sphere-like nanoparticles crystallizing into a MgZn(2)Laves phase in bulk spontaneously forms icosahedral clusters in slowly drying droplets. Using advanced electron tomography, we are able to obtain the real-space coordinates of all the spheres in the icosahedral clusters of up to about 10,000 particles. The local structure of 70-80% of the particles became similar to that of the MgCu(2)Laves phase. These observations are important for photonic applications. In addition, we observed in simulations that the icosahedral clusters nucleated away from the spherical boundary, which is distinctly different from that of the single species clusters. Our findings open the way for particle-level studies of nucleation and growth of icosahedral clusters, and of binary crystallization. The authors investigate out-of-equilibrium crystallization of a binary mixture of sphere-like nanoparticles in small droplets. They observe the spontaneous formation of an icosahedral structure with stable MgCu(2)phases, which are promising for photonic applications. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000564497300002 | Publication Date | 2020-08-31 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1745-2473; 1745-2481 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 19.6 | Times cited | 38 | Open Access | OpenAccess |
| Notes | ; D.W., E.B.v.d.W. and A.v.B. acknowledge partial financial support from the European Research Council under the European Union's Seventh Framework Programme (FP-2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. T.D. and M. D. acknowledge financial support from the Industrial Partnership Programme, 'Computational Sciences for Energy Research' (grant number 13CSER025), of the Netherlands Organization for Scientific Research (NWO), which was co-financed by Shell Global Solutions International BV G.M.C. was also financially supported by NWO. S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO. T.A. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). C.B.M. and Y.W. acknowledge support for materials synthesis from the Office of Naval Research Multidisciplinary University Research Initiative Award ONR N00014-18-1-2497. G. A. Blab is gratefully acknowledged for 3D printing numerous truncated tetrahedra, which increased our understanding of the connection between the binary icosahedral cluster and Laves phase structures. N. Tasios is sincerely thanked for providing the code for the diffraction pattern calculation. M. Hermes is sincerely thanked for providing interactive views of the structures in this work. We thank G. van Tendeloo, M. Engel, J. Wang, S. Dussi, L. Filion, E. Boattini, S. Paliwal, N. Tasios, B. van der Meer, I. Lobato, J. Wu and L. Laurens for fruitful discussions. We acknowledge the EM Square centre at Utrecht University for the access to the microscopes. ; sygma | Approved | Most recent IF: 19.6; 2020 IF: 22.806 | ||
| Call Number | UA @ admin @ c:irua:172044 | Serial | 6460 | ||
| Permanent link to this record | |||||
| Author | Penders, A.; Konstantinovic, M.J.; Bosch, R.W.; Schryvers, D. | ||||
| Title | Crack initiation in tapered high Si stainless steel specimens : stress threshold analyses | Type | A1 Journal article | ||
| Year | 2020 | Publication | Corrosion Engineering Science And Technology | Abbreviated Journal | Corros Eng Sci Techn |
| Volume | Issue | Pages |
1-8 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Tapered specimens were used for an accelerated test technique to study the crack initiation of high Si stainless steel by means of constant elongation rate tensile testing in a simulated pressurised water reactor environment. Detailed crack density distributions were obtained by applying an advanced crack detection algorithm on iteratively displaced scanning electron microscopy pictures featuring stress corrosion cracks along the specimen's gauge length. By means of finite-element analysis, prominent peaks in the crack density graphs are demonstrated to be related to stress relief and stress build-up during the crack initiation phase. Intrinsic scatter related to the crack detection suggests that stress corrosion cracking is independent of the strain-rate for strain-rates lower than 10(-6 )s(-1). Based on the extrapolation to constant load conditions, the critical threshold value for the duplex high Si stainless steel is estimated to be around 580 MPa. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000549651600001 | Publication Date | 2020-06-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1478-422x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.8 | Times cited | 1 | Open Access | Not_Open_Access |
| Notes | ; We would like to acknowledge ENGIE Electrabel for the financial support of this work under the contract number BSUEZ5500. ; | Approved | Most recent IF: 1.8; 2020 IF: 0.879 | ||
| Call Number | UA @ admin @ c:irua:171292 | Serial | 6478 | ||
| Permanent link to this record | |||||
| Author | Pourbabak, S.; Verlinden, B.; Van Humbeeck, J.; Schryvers, D. | ||||
| Title | DSC cycling effects on phase transformation temperatures of micron and submicron grain Ni50.8Ti49.2 microwires | Type | A1 Journal article | ||
| Year | 2020 | Publication | Shape memory and superelasticity | Abbreviated Journal | |
| Volume | Issue | Pages |
1-10 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The effect of thermal cycling parameters on the phase transformation temperatures of micron and submicron grain size recrystallized Ni-Ti microwires was investigated. The suppression of martensitic transformation by thermal cycling was found to enhance when combined with room temperature aging between the cycles and enhances even more when aged at elevated temperature of 100 degrees C. While aging at room temperature alone has no clear effect on the martensitic transformation, elevated temperature aging at 100 degrees C alone suppresses the martensitic transformation. All aforementioned effects were found to be stronger in large grain samples than in small grain samples. Martensitic transformation suppression in all cases was in line with the formation of Ni4Ti3 precursors in the form of < 111 & rang;(B2) Ni clusters as concluded from the observed diffuse intensity in the electron diffraction patterns revealing short-range ordering enhancement. Performing thermal cycling in some different temperature ranges to separate the effect of martensitic transformation and high temperature range of DSC cycling revealed that both high temperature- and martensitic transformation-included cycles enhance the short-range ordering. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000530232800001 | Publication Date | 2020-05-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2199-384x; 2199-3858 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 1 | Open Access | Not_Open_Access | |
| Notes | ; S.P. would like to thank the Flemish Science Foundation FWO for financial support under Project G.0366.15N. ; | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:169514 | Serial | 6492 | ||
| Permanent link to this record | |||||
| Author | Bigiani, L.; Gasparotto, A.; Maccato, C.; Sada, C.; Verbeeck, J.; Andreu, T.; Morante, J.R.; Barreca, D. | ||||
| Title | Dual improvement of beta-MnO₂ oxygen evolution electrocatalysts via combined substrate control and surface engineering | Type | A1 Journal article | ||
| Year | 2020 | Publication | Chemcatchem | Abbreviated Journal | Chemcatchem |
| Volume | Issue | Pages |
1-10 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The development of catalysts with high intrinsic activity towards the oxygen evolution reaction (OER) plays a critical role in sustainable energy conversion and storage. Herein, we report on the development of efficient (photo)electrocatalysts based on functionalized MnO(2)systems. Specifically,beta-MnO(2)nanostructures grown by plasma enhanced-chemical vapor deposition on fluorine-doped tin oxide (FTO) or Ni foams were decorated with Co(3)O(4)or Fe(2)O(3)nanoparticles by radio frequency sputtering. Upon functionalization, FTO-supported materials yielded a performance increase with respect to bare MnO2, with current densities at 1.65 Vvs. the reversible hydrogen electrode (RHE) up to 3.0 and 3.5 mA/cm(2)in the dark and under simulated sunlight, respectively. On the other hand, the use of highly porous and conductive Ni foam substrates enabled to maximize cooperative interfacial effects between catalyst components. The best performing Fe2O3/MnO(2)system provided a current density of 17.9 mA/cm(2)at 1.65 Vvs. RHE, an overpotential as low as 390 mV, and a Tafel slope of 69 mV/decade under dark conditions, comparing favorably with IrO(2)and RuO(2)benchmarks. Overall, the control of beta-MnO2/substrate interactions and the simultaneous surface property engineering pave the way to an efficient energy generation from abundant natural resources. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000571229000001 | Publication Date | 2020-09-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1867-3880; 1867-3899 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.5 | Times cited | 5 | Open Access | Not_Open_Access |
| Notes | ; This work has been financially supported by Padova University DOR 2017-2019, P-DiSC #03BIRD2016-UNIPD and #03BIRD2018-UNIPD projects. A.G. acknowledges AMGA Foundation and INSTM Consortium. J.V. gratefully acknowledges funding from the GOA project “Solarpaint” of the University of Antwerp and the European Union's Horizon 2020 research and innovation programme under grant agreement No 823717-ESTEEM3. ; esteem3TA; esteem3reported | Approved | Most recent IF: 4.5; 2020 IF: 4.803 | ||
| Call Number | UA @ admin @ c:irua:171949 | Serial | 6493 | ||
| Permanent link to this record | |||||
| Author | Wang, H.S.; Chen, L.; Elibol, K.; He, L.; Wang, H.; Chen, C.; Jiang, C.; Li, C.; Wu, T.; Cong, C.X.; Pennycook, T.J.; Argentero, G.; Zhang, D.; Watanabe, K.; Taniguchi, T.; Wei, W.; Yuan, Q.; Meyer, J.C.; Xie, X. | ||||
| Title | Towards chirality control of graphene nanoribbons embedded in hexagonal boron nitride | Type | A1 Journal article | ||
| Year | 2020 | Publication | Nature Materials | Abbreviated Journal | Nat Mater |
| Volume | Issue | Pages |
1-10 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Oriented trenches are created in h-BN using different catalysts, and used as templates to grow seamlessly integrated armchair and zigzag graphene nanoribbons with chirality-dependent electrical and magnetic conductance properties. The integrated in-plane growth of graphene nanoribbons (GNRs) and hexagonal boron nitride (h-BN) could provide a promising route to achieve integrated circuitry of atomic thickness. However, fabrication of edge-specific GNRs in the lattice of h-BN still remains a significant challenge. Here we developed a two-step growth method and successfully achieved sub-5-nm-wide zigzag and armchair GNRs embedded in h-BN. Further transport measurements reveal that the sub-7-nm-wide zigzag GNRs exhibit openings of the bandgap inversely proportional to their width, while narrow armchair GNRs exhibit some fluctuation in the bandgap-width relationship. An obvious conductance peak is observed in the transfer curves of 8- to 10-nm-wide zigzag GNRs, while it is absent in most armchair GNRs. Zigzag GNRs exhibit a small magnetic conductance, while armchair GNRs have much higher magnetic conductance values. This integrated lateral growth of edge-specific GNRs in h-BN provides a promising route to achieve intricate nanoscale circuits. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000571692500001 | Publication Date | 2020-09-21 | |
| 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 | 41.2 | Times cited | 3 | Open Access | Not_Open_Access |
| Notes | ; H.W. and X.X. thank J.H. Edgar (Kansas State University, USA) for supplying the partial h-BN crystals. H. S. Wang, L. Chen and H. Wang thank M. Liu, X. Qiu and J. Pan from NCNT of China, F. Liou, H. Tsai, M. Crommie from UCB, USA, J. Xue and P. Yu from ShanghaiTech University and S. Wang from SJTU for nc-AFM measurement. H. S. Wang, L. Chen and H. Wang thank B. Sun and S. Li from Hunan University for the fusion of the STEM image and the electron energy loss spectroscopy mapping images. Funding: The work was partially supported by the National Key R&D program (Grant No. 2017YFF0206106), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), the National Science Foundation of China (Grant No. 51772317, 51302096, 61774040, 91964102), the Science and Technology Commission of Shanghai Municipality (Grant No. 16ZR1442700, 16ZR1402500 18511110700), Shanghai Rising-Star Program (A type) (Grant No.18QA1404800), the Hubei Provincial Natural Science Foundation of China (Grant No. ZRMS2017000370), China Postdoctoral Science Foundation (Grant No. 2017M621563, 2018T110415), and the Fundamental Research Funds of Wuhan City (No. 2016060101010075). C.L. acknowledges support from the European Union's Horizon 2020 research and innovation programme under the Marie Skodowska-Curie grants No. 656378 – Interfacial Reactions. T.J.P. acknowledges funding from European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie grant agreement no. 655760-DIGIPHASE. K.W. and T.T. acknowledge support from the Elemental Strategy Initiative conducted by the MEXT, Japan and the CREST (JPMJCR15F3), JST. C.X.C. acknowledges financial support from the National Young 1000 Talent Plan of China and the National Key R&D Program of China (No. 2018YFA0703700). L.H. acknowledges financial support from the programme of China Scholarships Council (No. 201706160037). ; | Approved | Most recent IF: 41.2; 2020 IF: 39.737 | ||
| Call Number | UA @ admin @ c:irua:171944 | Serial | 6633 | ||
| Permanent link to this record | |||||
| Author | Pourbabak, S.; Orekhov, A.; Schryvers, D. | ||||
| Title | Twin-jet electropolishing for damage-free transmission electron microscopy specimen preparation of metallic microwires | Type | A1 Journal article | ||
| Year | 2020 | Publication | Microscopy Research And Technique | Abbreviated Journal | Microsc Res Techniq |
| Volume | Issue | Pages |
1-7 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A method to prepare TEM specimens from metallic microwires and based on conventional twin-jet electropolishing is introduced. The wire is embedded in an opaque epoxy resin medium and the hardened resin is mechanically polished to reveal the wire on both sides. The resin containing wire is then cut into discs of the appropriate size. The obtained embedded wire is electropolished in a conventional twin-jet electropolishing machine until electron transparency in large areas without radiation damage is achieved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000567944200001 | Publication Date | 2020-09-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1059-910x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.5 | Times cited | Open Access | OpenAccess | |
| Notes | ; Fonds Wetenschappelijk Onderzoek, Grant/Award Number: G.0366.15N ; | Approved | Most recent IF: 2.5; 2020 IF: 1.147 | ||
| Call Number | UA @ admin @ c:irua:171969 | Serial | 6642 | ||
| Permanent link to this record | |||||
| Author | MacArthur, K.E.; Yankovich, A.B.; Béché, A.; Luysberg, M.; Brown, H.G.; Findlay, S.D.; Heggen, M.; Allen, L.J. | ||||
| Title | Optimizing Experimental Conditions for Accurate Quantitative Energy-Dispersive X-ray Analysis of Interfaces at the Atomic Scale | Type | A1 Journal article | ||
| Year | 2021 | Publication | Microscopy And Microanalysis | Abbreviated Journal | Microsc Microanal |
| Volume | Issue | Pages |
1-15 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The invention of silicon drift detectors has resulted in an unprecedented improvement in detection efficiency for energy-dispersive X-ray (EDX) spectroscopy in the scanning transmission electron microscope. The result is numerous beautiful atomic-scale maps, which provide insights into the internal structure of a variety of materials. However, the task still remains to understand exactly where the X-ray signal comes from and how accurately it can be quantified. Unfortunately, when crystals are aligned with a low-order zone axis parallel to the incident beam direction, as is necessary for atomic-resolution imaging, the electron beam channels. When the beam becomes localized in this way, the relationship between the concentration of a particular element and its spectroscopic X-ray signal is generally nonlinear. Here, we discuss the combined effect of both spatial integration and sample tilt for ameliorating the effects of channeling and improving the accuracy of EDX quantification. Both simulations and experimental results will be presented for a perovskite-based oxide interface. We examine how the scattering and spreading of the electron beam can lead to erroneous interpretation of interface compositions, and what approaches can be made to improve our understanding of the underlying atomic structure. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000664532400007 | Publication Date | 2021-04-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1431-9276 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.891 | Times cited | Open Access | OpenAccess | |
| Notes | The authors would like to thank Jürgen Schubert for helping to supply the sample and valuable discussions on the topic. K. E. MacArthur and M. Heggen acknowledge the Helmholtz Funding agency and the DFG (grant number HE 7192/1-2) for their financial support of this work. L. J. Allen acknowledges the support of the Alexander von Humboldt Foundation. This research was supported under the Discovery Projects funding scheme of the Australian Research Council (Projects DP140102538 and FT190100619). K.E. MacArthur, A.B. Yankovich and A. Béché acknowledge support from the European Union’s Horizon 2020 research innovation program under grant agreement No. 823717 – ESTEEM3. A.B. Yankovich also acknowledges support from the Materials Science Area of Advance at Chalmers and the Swedish Research Council (VR, under grant No: 2020-04986).; esteem3TA; esteem3reported | Approved | Most recent IF: 1.891 | ||
| Call Number | EMAT @ emat @c:irua:178129 | Serial | 6760 | ||
| Permanent link to this record | |||||
| Author | de Backer, A.; Fatermans, J.; den Dekker, A.J.; Van Aert, S. | ||||
| Title | Introduction | Type | H2 Book chapter | ||
| Year | 2021 | Publication | Advances in imaging and electron physics T2 – Advances in imaging and electron physics | Abbreviated Journal | |
| Volume | Issue | Pages |
1-28 | ||
| Keywords | H2 Book chapter; Electron microscopy for materials research (EMAT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2021-03-06 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | 217 | Series Issue | Edition | ||
| ISSN | ISBN | 978-0-12-824607-8; 1076-5670 | Additional Links | UA library record | |
| Impact Factor | Times cited | Open Access | Not_Open_Access | ||
| Notes | ERC Consolidator project funded by the European Union grant #770887 Picometrics | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:177525 | Serial | 6784 | ||
| Permanent link to this record | |||||
| Author | Feng, X.; Jena, H.S.; Krishnaraj, C.; Arenas-Esteban, D.; Leus, K.; Wang, G.; Sun, J.; Rüscher, M.; Timoshenko, J.; Roldan Cuenya, B.; Bals, S.; Voort, P.V.D. | ||||
| Title | Creation of Exclusive Artificial Cluster Defects by Selective Metal Removal in the (Zn, Zr) Mixed-Metal UiO-66 | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of The American Chemical Society | Abbreviated Journal | J Am Chem Soc |
| Volume | Issue | Pages |
jacs.1c05357 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The differentiation between missing linker defects and missing cluster defects in MOFs is difficult, thereby limiting the ability to correlate materials properties to a specific type of defects. Herein, we present a novel and easy synthesis strategy for the creation of solely “missing cluster defects” by preparing mixed-metal (Zn, Zr)-UiO-66 followed by a gentle acid wash to remove the Zn nodes. The resulting material has the reo UiO-66 structure, typical for well-defined missing cluster defects. The missing clusters are thoroughly characterized, including low-pressure Ar-sorption, iDPCSTEM at a low dose (1.5 pA), and XANES/EXAFS analysis. We show that the missing cluster UiO-66 has a negligible number of missing linkers. We show the performance of the missing cluster UiO-66 in CO2 sorption and heterogeneous catalysis. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000730569500001 | Publication Date | 2021-12-07 | |
| 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 | 13.858 | Times cited | 29 | Open Access | OpenAccess |
| Notes | Agentschap Innoveren en Ondernemen, HBC.2019.0110 HBC.2021.0254 ; Universiteit Gent; Fonds Wetenschappelijk Onderzoek, 665501 ; Dalian University of Technology; China Scholarship Council, 201507565009 ; National Natural Science Foundation of China, 22101039 ; H2020 European Research Council, 815128 REALNANO ; sygmaSB | Approved | Most recent IF: 13.858 | ||
| Call Number | EMAT @ emat @c:irua:183951 | Serial | 6833 | ||
| Permanent link to this record | |||||
| Author | Ning, S.; Xu, W.; Ma, Y.; Loh, L.; Pennycook, T.J.; Zhou, W.; Zhang, F.; Bosman, M.; Pennycook, S.J.; He, Q.; Loh, N.D. | ||||
| Title | Accurate and Robust Calibration of the Uniform Affine Transformation Between Scan-Camera Coordinates for Atom-Resolved In-Focus 4D-STEM Datasets | Type | A1 Journal article | ||
| Year | 2022 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
| Volume | Issue | Pages |
1-11 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Accurate geometrical calibration between the scan coordinates and the camera coordinates is critical in four-dimensional scanning transmission electron microscopy (4D-STEM) for both quantitative imaging and ptychographic reconstructions. For atomic-resolved, in-focus 4D-STEM datasets, we propose a hybrid method incorporating two sub-routines, namely a J-matrix method and a Fourier method, which can calibrate the uniform affine transformation between the scan-camera coordinates using raw data, without a priori knowledge about the crystal structure of the specimen. The hybrid method is found robust against scan distortions and residual probe aberrations. It is also effective even when defects are present in the specimen, or the specimen becomes relatively thick. We will demonstrate that a successful geometrical calibration with the hybrid method will lead to a more reliable recovery of both the specimen and the electron probe in a ptychographic reconstruction. We will also show that, although the elimination of local scan position errors still requires an iterative approach, the rate of convergence can be improved, and the residual errors can be further reduced if the hybrid method can be firstly applied for initial calibration. The code is made available as a simple-to-use tool to correct affine transformations of the scan-camera coordinates in 4D-STEM experiments. | ||||
| Address | |||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000767045700001 | Publication Date | 2022-03-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1431-9276 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.8 | Times cited | Open Access | OpenAccess | |
| Notes | N. D. Loh kindly acknowledges support from NUS Early Career Research Award (R-154-000-B35-133), MOE’s AcRF Tier 1 grant nr. R-284-000-172-114 and NRF CRP grant number NRF-CRP16-2015-05. Q. He would also like to acknowledge the support of the National Research Foundation (NRF) Singapore, under its NRF Fellowship (NRF-NRFF11-2019-0002). W. Zhou acknowledges the support from Beijing Outstanding Young Scientist Program (BJJWZYJH01201914430039). F. Zhang acknowledges the support of the National Natural Science Foundation of China (11775105, 12074167). T. J. Pennycook acknowledges funding under the European Union’s Horizon 2020 research and innovation programme from the European Research Council (ERC) Grant agreement No. 802123-HDEM. | Approved | Most recent IF: 2.8 | ||
| Call Number | EMAT @ emat @c:irua:186958 | Serial | 6957 | ||
| Permanent link to this record | |||||
| Author | Yu, C.-P.; Friedrich, T.; Jannis, D.; Van Aert, S.; Verbeeck, J. | ||||
| Title | Real-Time Integration Center of Mass (riCOM) Reconstruction for 4D STEM | Type | A1 Journal article | ||
| Year | 2022 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
| Volume | Issue | Pages |
1-12 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A real-time image reconstruction method for scanning transmission electron microscopy (STEM) is proposed. With an algorithm requiring only the center of mass of the diffraction pattern at one probe position at a time, it is able to update the resulting image each time a new probe position is visited without storing any intermediate diffraction patterns. The results show clear features at high spatial frequency, such as atomic column positions. It is also demonstrated that some common post-processing methods, such as band-pass filtering, can be directly integrated in the real-time processing flow. Compared with other reconstruction methods, the proposed method produces high-quality reconstructions with good noise robustness at extremely low memory and computational requirements. An efficient, interactive open source implementation of the concept is further presented, which is compatible with frame-based, as well as event-based camera/file types. This method provides the attractive feature of immediate feedback that microscope operators have become used to, for example, conventional high-angle annular dark field STEM imaging, allowing for rapid decision-making and fine-tuning to obtain the best possible images for beam-sensitive samples at the lowest possible dose. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000792176100001 | Publication Date | 2022-04-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1431-9276 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.8 | Times cited | 7 | Open Access | OpenAccess |
| Notes | Bijzonder Onderzoeksfonds UGent; H2020 European Research Council, 770887 ; H2020 European Research Council, 823717 ; H2020 European Research Council, ESTEEM3 / 823717 ; H2020 European Research Council, PICOMETRICS / 770887 ; Fonds Wetenschappelijk Onderzoek, 30489208 ; Herculesstichting; esteem3reported; esteem3jra | Approved | Most recent IF: 2.8 | ||
| Call Number | EMAT @ emat @c:irua:188538 | Serial | 7068 | ||
| Permanent link to this record | |||||
| Author | De wael, A.; De Backer, A.; Yu, C.-P.; Sentürk, D.G.; Lobato, I.; Faes, C.; Van Aert, S. | ||||
| Title | Three Approaches for Representing the Statistical Uncertainty on Atom-Counting Results in Quantitative ADF STEM | Type | A1 Journal article | ||
| Year | 2022 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
| Volume | Issue | Pages |
1-9 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A decade ago, a statistics-based method was introduced to count the number of atoms from annular dark-field scanning transmission electron microscopy (ADF STEM) images. In the past years, this method was successfully applied to nanocrystals of arbitrary shape, size, and composition (and its high accuracy and precision has been demonstrated). However, the counting results obtained from this statistical framework are so far presented without a visualization of the actual uncertainty about this estimate. In this paper, we present three approaches that can be used to represent counting results together with their statistical error, and discuss which approach is most suited for further use based on simulations and an experimental ADF STEM image. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000854930500001 | Publication Date | 2022-09-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1431-9276 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.8 | Times cited | Open Access | OpenAccess | |
| Notes | This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant Agreement No. 770887 and No. 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through grants to A.D.w. and A.D.B. and projects G.0502.18N, G.0267.18N, and EOS 30489208. S.V.A. acknowledges TOP BOF funding from the University of Antwerp. The authors are grateful to L.M. Liz-Marzán (CIC biomaGUNE and Ikerbasque) for providing the samples. esteem3reported; esteem3jra | Approved | Most recent IF: 2.8 | ||
| Call Number | EMAT @ emat @c:irua:190585 | Serial | 7119 | ||
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| Author | Yang, C.-Q.; Zhi, R.; Rothmann, M.U.; Xu, Y.-Y.; Li, L.-Q.; Hu, Z.-Y.; Pang, S.; Cheng, Y.-B.; Van Tendeloo, G.; Li, W. | ||||
| Title | Unveiling the intrinsic structure and intragrain defects of organic-inorganic hybrid perovskites by ultralow dose transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2023 | Publication | Advanced materials | Abbreviated Journal | |
| Volume | Issue | Pages |
1-9 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Transmission electron microscopy (TEM) is a powerful tool for unveiling the structural, compositional, and electronic properties of organic-inorganic hybrid perovskites (OIHPs) at the atomic to micrometer length scales. However, the structural and compositional instability of OIHPs under electron beam radiation results in misunderstandings of the microscopic structure-property-performance relationship in OIHP devices. Here, ultralow dose TEM is utilized to identify the mechanism of the electron-beam-induced changes in OHIPs and clarify the cumulative electron dose thresholds (critical dose) of different commercially interesting state-of-the-art OIHPs, including methylammonium lead iodide (MAPbI(3)), formamidinium lead iodide (FAPbI(3)), FA(0.83)Cs(0.17)PbI(3), FA(0.15)Cs(0.85)PbI(3), and MAPb(0.5)Sn(0.5)I(3). The critical dose is related to the composition of the OIHPs, with FA(0.15)Cs(0.85)PbI(3) having the highest critical dose of approximate to 84 e angstrom(-2) and FA(0.83)Cs(0.17)PbI(3) having the lowest critical dose of approximate to 4.2 e angstrom(-2). The electron beam irradiation results in the formation of a superstructure with ordered I and FA vacancies along (c), as identified from the three major crystal axes in cubic FAPbI(3), (c), (c), and (c). The intragrain planar defects in FAPbI(3) are stable, while an obvious modification is observed in FA(0.83)Cs(0.17)PbI(3) under continuous electron beam exposure. This information can serve as a guide for ensuring a reliable understanding of the microstructure of OIHP optoelectronic devices by TEM. | ||||
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| Language | Wos | 000950461600001 | Publication Date | 2023-02-13 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0935-9648 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 29.4 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 29.4; 2023 IF: 19.791 | |||
| Call Number | UA @ admin @ c:irua:195116 | Serial | 7349 | ||
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| Author | Conti, S.; Chaves, A.; Pandey, T.; Covaci, L.; Peeters, F.M.; Neilson, D.; Milošević, M.V. | ||||
| Title | Flattening conduction and valence bands for interlayer excitons in a moire MoS₂/WSe₂ heterobilayer | Type | A1 Journal article | ||
| Year | 2023 | Publication | Nanoscale | Abbreviated Journal | |
| Volume | Issue | Pages |
1-11 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT) | ||||
| Abstract | We explore the flatness of conduction and valence bands of interlayer excitons in MoS2/WSe2 van der Waals heterobilayers, tuned by interlayer twist angle, pressure, and external electric field. We employ an efficient continuum model where the moire pattern from lattice mismatch and/or twisting is represented by an equivalent mesoscopic periodic potential. We demonstrate that the mismatch moire potential is too weak to produce significant flattening. Moreover, we draw attention to the fact that the quasi-particle effective masses around the Gamma-point and the band flattening are reduced with twisting. As an alternative approach, we show (i) that reducing the interlayer distance by uniform vertical pressure can significantly increase the effective mass of the moire hole, and (ii) that the moire depth and its band flattening effects are strongly enhanced by accessible electric gating fields perpendicular to the heterobilayer, with resulting electron and hole effective masses increased by more than an order of magnitude – leading to record-flat bands. These findings impose boundaries on the commonly generalized benefits of moire twistronics, while also revealing alternative feasible routes to achieve truly flat electron and hole bands to carry us to strongly correlated excitonic phenomena on demand. | ||||
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| Language | Wos | 001047512300001 | Publication Date | 2023-07-25 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364; 2040-3372 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.7 | Times cited | 1 | Open Access | Not_Open_Access: Available from 25.01.2024 |
| Notes | Approved | Most recent IF: 6.7; 2023 IF: 7.367 | |||
| Call Number | UA @ admin @ c:irua:198290 | Serial | 8819 | ||
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| Author | Chen, Q.; Skorikov, A.; van der Hoeven, J.E.S.; van Blaaderen, A.; Albrecht, W.; Perez-Garza, H.H.; Bals, S. | ||||
| Title | Estimation of temperature homogeneity in MEMS-based heating nanochips via quantitative HAADF-STEM tomography | Type | A1 Journal article | ||
| Year | 2023 | Publication | Particle and particle systems characterization | Abbreviated Journal | |
| Volume | 41 | Issue | 2 | Pages |
1-8 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Sample holders for transmission electron microscopy (TEM) based on micro-electro-mechanical systems (MEMS) have recently become popular for investigating the behavior of nanomaterials under in situ or environmental conditions. The accuracy and reproducibility of these in situ holders are essential to ensure the reliability of experimental results. In addition, the uniformity of an applied temperature trigger across the MEMS chip is a crucial parameter. In this work, it is measured the temperature homogeneity of MEMS-based heating sample supports by locally analyzing the dynamics of heat-induced alloying of Au@Ag nanoparticles located in different regions of the support through quantitative fast high-angle annular dark-field scanning TEM tomography. These results demonstrate the superior temperature homogeneity of a microheater design based on a heating element shaped as a circular spiral with a width decreasing outwards compared to a double spiral-shaped designed microheater. The proposed approach to measure the local temperature homogeneity based on the thermal properties of bimetallic nanoparticles will support the future development of MEMS-based heating supports with improved thermal properties and in situ studies where high precision in the temperature at a certain position is required. This schematic delineates an approach to quantifying potential localized temperature deviation within a nanochip. Employing two comparable nanoparticles as thermal probes in discrete nanochip regions, the alloying kinetics of these nanoparticles are monitorable using in situ quantitative high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) tomography, thus enabling the precise estimation of local temperature deviations.image | ||||
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| Language | Wos | 001060394600001 | Publication Date | 2023-09-08 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0934-0866 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | This project was funded from the European Commission and The Marie Sklodowska-Curie Innovative Training Network MUMMERING (Grant Agreement no. 765604) | Approved | Most recent IF: 2.7; 2023 IF: 4.474 | ||
| Call Number | UA @ admin @ c:irua:199219 | Serial | 8863 | ||
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| Author | Soltan, S.; Macke, S.; Ilse, S.E.; Pennycook, T.; Zhang, Z.L.; Christiani, G.; Benckiser, E.; Schuetz, G.; Goering, E. | ||||
| Title | Ferromagnetic order controlled by the magnetic interface of LaNiO3/La2/3Ca1/3MnO3 superlattices | Type | A1 Journal article | ||
| Year | 2023 | Publication | Scientific reports | Abbreviated Journal | |
| Volume | 13 | Issue | 1 | Pages |
1-9 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Interface engineering in complex oxide superlattices is a growing field, enabling manipulation of the exceptional properties of these materials, and also providing access to new phases and emergent physical phenomena. Here we demonstrate how interfacial interactions can induce a complex charge and spin structure in a bulk paramagnetic material. We investigate a superlattice (SLs) consisting of paramagnetic LaNiO3 (LNO) and highly spin-polarized ferromagnetic La2/3Ca1/3MnO3 (LCMO), grown on SrTiO3 (001) substrate. We observed emerging magnetism in LNO through an exchange bias mechanism at the interfaces in X-ray resonant magnetic reflectivity. We find non-symmetric interface induced magnetization profiles in LNO and LCMO which we relate to a periodic complex charge and spin superstructure. High resolution scanning transmission electron microscopy images reveal that the upper and lower interfaces exhibit no significant structural variations. The different long range magnetic order emerging in LNO layers demonstrates the enormous potential of interfacial reconstruction as a tool for tailored electronic properties. | ||||
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| Language | Wos | 000985158100013 | Publication Date | 2023-03-26 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2045-2322 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.6 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.6; 2023 IF: 4.259 | |||
| Call Number | UA @ admin @ c:irua:197426 | Serial | 8867 | ||
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| Author | Moggia, G.; Hoekx, S.; Daems, N.; Bals, S.; Breugelmans, T. | ||||
| Title | Synthesis and characterization of a highly electroactive composite based on Au nanoparticles supported on nanoporous activated carbon for electrocatalysis | Type | A1 Journal article | ||
| Year | 2023 | Publication | ChemElectroChem | Abbreviated Journal | |
| Volume | Issue | Pages |
1-11 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | A facile, “one-pot”, chemical approach to synthesize gold-based nanoparticles finely dispersed on porous activated carbon (Norit) was demonstrated in this work. The pH of the synthesis bath played a critical role in determining the optimal gold-carbon interaction, which enabled a successful deposition of the gold nanoparticles onto the carbon matrix with a maximized metal utilization of 93 %. The obtained AuNP/C nanocomposite was characterized using SEM, HAADF-STEM electron tomography and electrochemical techniques. It was found that the Au nanoparticles, with diameters between 5 and 20 nm, were evenly distributed over the carbon matrix, both inside and outside the pores. Electrochemical characterization indicated that the composite had a very large electroactive surface area (EASA), as high as 282.4 m2 gAu-1. By exploiting its very high EASA, the catalyst was intended to boost the productivity of glucaric acid in the electrooxidation of its precursor, gluconic acid. However, cyclic voltammetry experiments revealed a very limited reactivity towards gluconic acid oxidation, due to the spacial hindrance of gluconic acid molecule which prevented diffusion inside the catalyst nanopores. On the other hand, the as-synthesized nanocomposite promises to be effective towards the ORR, and might thus find potential application as anode catalyst for fuel cells as well as for the scalability of all those electrochemical reactions involving small molecules with high diffusivity and catalysed by noble metals (i. e. CO2, CH4, N2, etc..). Electrocatalysis: Gold nanoparticles with diameter between 5 and 20 nm evenly distributed onto porous activated carbon (Norit) were obtained using a facile “one-pot” chemical synthesis technique with very high metal utilization. The AuNP/C nanocomposite was characterized using SEM, HAADF-STEM electron tomography and electrochemical techniques, revealing a very large electroactive surface area (EASA). The figure shows the HAADF-STEM image (a) and the respective EDX elemental distribution (b) for the AuNP/C composite with 9.3 % Au-loading developed in this work (Au is marked in red and C in green).image | ||||
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| Language | Wos | 001060398900001 | Publication Date | 2023-09-08 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2196-0216 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4 | Times cited | 1 | Open Access | OpenAccess |
| Notes | The research described in this article has not been supported by the Climate, Infrastructure and Environment Executive Agency of the European Commission. The views expressed in this article have not been adopted or in any way approved by the European Commission and do not constitute a statement of the European Commission & apos;s views.r S. Hoekx was supported by Research Foundation Flanders (FWO 1S42623N). The authors would like to thank Prof. Dr. Christophe Vande Velde, University of Antwerp, for the XRD analysis. | Approved | Most recent IF: 4; 2023 IF: 4.136 | ||
| Call Number | UA @ admin @ c:irua:199210 | Serial | 8941 | ||
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| Author | Yang, C.-Q.; Yin, Z.-W.; Li, W.; Cui, W.-J.; Zhou, X.-G.; Wang, L.-D.; Zhi, R.; Xu, Y.-Y.; Tao, Z.-W.; Sang, X.; Cheng, Y.-B.; Van Tendeloo, G.; Hu, Z.-Y.; Su, B.-L. | ||||
| Title | Atomically deciphering the phase segregation in mixed halide perovskite | Type | A1 Journal article | ||
| Year | 2024 | Publication | Advanced functional materials | Abbreviated Journal | |
| Volume | Issue | Pages |
1-10 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Mixed-halide perovskites show promising applications in tandem solar cells owing to their adjustable bandgap. One major obstacle to their commercialization is halide phase segregation, which results in large open-circuit voltage deficiency and J-V hysteresis. However, the ambiguous interplay between structural origin and phase segregation often results in aimless and unspecific optimization strategies for the device's performance and stability. An atomic scale is directly figured out the abundant Ruddlesden-Popper anti-phase boundaries (RP-APBs) within a CsPbIBr2 polycrystalline film and revealed that phase segregation predominantly occurs at RP-APB-enriched interfaces due to the defect-mediated lattice strain. By compensating their structural lead halide, such RP-APBs are eliminated, and the decreasing of strain can be observed, resulting in the suppression of halide phase segregation. The present work provides the deciphering to precisely regulate the perovskite atomic structure for achieving photo-stable mixed halide wide-bandgap perovskites of high-efficiency tandem solar cell commercial applications. The phase segregation in mixed halide perovskite film predominantly occurs at Ruddlesden-Popper anti-phase boundaries (RP-APBs)-enriched interfaces due to the defect-mediated lattice strain. The RP-APBs defects can be eliminated by compensating for their structural lead halide deficiency, resulting in the suppression of halide phase segregation. image | ||||
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| Language | Wos | 001200673300001 | Publication Date | 2024-04-12 | |
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| ISSN | 1616-301x | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 19 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 19; 2024 IF: 12.124 | |||
| Call Number | UA @ admin @ c:irua:205509 | Serial | 9134 | ||
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| Author | Lelouche, S.N.K.; Lemir, I.; Biglione, C.; Craig, T.; Bals, S.; Horcajada, P. | ||||
| Title | AuNP/MIL-88B-NH₂ nanocomposite for the valorization of nitroarene by green catalytic hydrogenation | Type | A1 Journal article | ||
| Year | 2024 | Publication | Chemistry: a European journal | Abbreviated Journal | |
| Volume | Issue | Pages |
1-10 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The efficiency of a catalytic process is assessed based on conversion, yield, and time effectiveness. However, these parameters are insufficient for evaluating environmentally sustainable research. As the world is urged to shift towards green catalysis, additional factors such as reaction media, raw material availability, sustainability, waste minimization and catalyst biosafety, need to be considered to accurately determine the efficacy and sustainability of the process. By combining the high porosity and versatility of metal organic frameworks (MOFs) and the activity of gold nanoparticles (AuNPs), efficient, cyclable and biosafe composite catalysts can be achieved. Thus, a composite based on AuNPs and the nanometric flexible porous iron(III) aminoterephthalate MIL-88B-NH2 was successfully synthesized and fully characterized. This nanocomposite was tested as catalyst in the reduction of nitroarenes, which were identified as anthropogenic water pollutants, reaching cyclable high conversion rates at short times for different nitroarenes. Both synthesis and catalytic reactions were performed using green conditions, and even further tested in a time-optimizing one-pot synthesis and catalysis experiment. The sustainability and environmental impact of the catalytic conditions were assessed by green metrics. Thus, this study provides an easily implementable synthesis, and efficient catalysis, while minimizing the environmental and health impact of the process. | ||||
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| Language | Wos | 001204094600001 | Publication Date | 2024-03-22 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0947-6539 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 4.3 | Times cited | Open Access | ||
| Notes | Approved | Most recent IF: 4.3; 2024 IF: 5.317 | |||
| Call Number | UA @ admin @ c:irua:205426 | Serial | 9135 | ||
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| Author | Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M. | ||||
| Title | Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning | Type | A1 Journal article | ||
| Year | 2024 | Publication | Advanced Science | Abbreviated Journal | |
| Volume | Issue | Pages |
1-13 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image | ||||
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| Language | Wos | 001206888000001 | Publication Date | 2024-04-24 | |
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| ISSN | 2198-3844 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 15.1 | Times cited | Open Access | ||
| Notes | This work was supported by the funding received by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 818776- DYNAPOL, no. 770887 PICOMETRICS and no. 815128 REALNANO). The authors also acknowledge the computational resources provided by the Swiss National Supercomputing Center (CSCS), by CINECA, and the Research Foundation Flanders (FWO, Belgium) G.0346.21N. | Approved | Most recent IF: 15.1; 2024 IF: 9.034 | ||
| Call Number | UA @ admin @ c:irua:205442 | Serial | 9171 | ||
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