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| Author | Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V. | ||||
| Title | High-throughput analysis of tetragonal transition metal Xenes | Type | A1 Journal article | ||
| Year | 2022 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | Phys Chem Chem Phys |
| Volume | 24 | Issue | 48 | Pages | 29406-29412 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures. | ||||
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| Language | Wos | 000892446100001 | Publication Date | 2022-11-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9076; 1463-9084 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.3 | Times cited | 1 | Open Access | Not_Open_Access |
| Notes | Approved  |
Most recent IF: 3.3 | |||
| Call Number | UA @ admin @ c:irua:192762 | Serial | 7310 | ||
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| Author | Penders, A.G.; Konstantinovic, M.J.; Yang, T.; Bosch, R.-w.; Schryvers, D.; Somville, F. | ||||
| Title | Microstructural investigation of IASCC crack tips extracted from thimble tube O-ring specimens | Type | A1 Journal article | ||
| Year | 2022 | Publication | Journal of nuclear materials | Abbreviated Journal | J Nucl Mater |
| Volume | 565 | Issue | Pages | 153727-16 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The microstructural features of intergranular irradiation-assisted stress corrosion crack tips from a redeemed neutron-irradiated flux thimble tube (60 dpa) have been investigated using focused-ion beam analysis and (scanning) transmission electron microscopy. The current work presents a close examination of the deformation field and oxide assembly associated with intergranular cracking, in addition to the analysis of radiation-induced segregation at leading grain boundaries. Evidence of stress induced martensitic transformation extending from the crack tips is presented. Intergranular crack arrest is demonstrated on the account of the external tensile stress orientation, and as a consequence of MnS inclusion particles segregating close to the fractured grain boundary. Exclusive observations of grain boundary oxidation prior to the cracking are presented, which is in full-agreement with the internal oxidation model.(c) 2022 Elsevier B.V. All rights reserved. | ||||
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| Language | Wos | 000799256300004 | Publication Date | 2022-04-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3115 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 3.1 | |||
| Call Number | UA @ admin @ c:irua:188609 | Serial | 7086 | ||
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| Author | Penders, A.G.; Konstantinović, M.J.; Van Renterghem, W.; Bosch, R.-W.; Schryvers, D.; Somville, F. | ||||
| Title | Characterization of IASCC crack tips extracted from neutron-irradiated flux thimble tube specimens in view of a probabilistic fracture model | Type | A1 Journal article | ||
| Year | 2022 | Publication | Journal of nuclear materials | Abbreviated Journal | J Nucl Mater |
| Volume | 571 | Issue | Pages | 154015-154016 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | This study reports the properties of irradiation assisted stress corrosion crack tips extracted by means of focused-ion beam from 60 to 80 dpa neutron-irradiated O-ring specimens tested under straining conditions under a pressurized-water reactor environment. Various crack tip morphologies and surrounding deformation features were analyzed as a function of applied stress, surface oxidation state and loading form – constant versus cyclic. All investigated cracks exhibit grain boundary oxidation in front of the crack tip, with the extent of oxidation being proportional to applied stress. These findings clearly demonstrate that, under the subcritical crack propagation regime, the grain boundary oxide grows faster than the crack. On the other hand, crack tips appertaining to specimens with removed oxide layer at the outer surface show comparatively less oxidation at the crack tip, which could indicate towards crack initiation from regions that exemplify lower stress, such as the O-ring inner surface. Cyclic loading is found to have a more pronounced effect on the crack tip microstructure, demonstrating increased deformation twinning and -martensitic transformation, which signifies towards an increased susceptibility to intergranular failure. Still, the extent of crack tip grain boundary oxidation in this case agrees well with expected values for maximum stress applied during cyclic loading. All results are interpreted based on the probabilistic subcritical crack propagation mechanism and provide strong support to a stress-driven internal oxidation model. | ||||
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| Language | Wos | 000872389200009 | Publication Date | 2022-09-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-3115 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 3.1 | |||
| Call Number | UA @ admin @ c:irua:190375 | Serial | 7135 | ||
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| Author | Ngo, K.N.; Tampon, P.; Van Winckel, T.; Massoudieh, A.; Sturm, B.; Bott, C.; Wett, B.; Murthy, S.; Vlaeminck, S.E.; DeBarbadillo, C.; De Clippeleir, H. | ||||
| Title | Introducing bioflocculation boundaries in process control to enhance effluent quality of high‐rate contact‐stabilization systems | Type | A1 Journal article | ||
| Year | 2022 | Publication | Water environment research | Abbreviated Journal | Water Environ Res |
| Volume | 94 | Issue | 8 | Pages | e10772-17 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | High-rate activated sludge (HRAS) systems suffer from high variability of effluent quality, clarifier performance, and carbon capture. This study proposed a novel control approach using bioflocculation boundaries for wasting control strategy to enhance effluent quality and stability while still meeting carbon capture goals. The bioflocculation boundaries were developed based on the oxygen uptake rate (OUR) ratio between contactor and stabilizer (feast/famine) in a high-rate contact stabilization (CS) system and this OUR ratio was used to manipulate the wasting setpoint. Increased oxidation of carbon or decreased wasting was applied when OUR ratio was <0.52 or >0.95 to overcome bioflocculation limitation and maintain effluent quality. When no bioflocculation limitations (OUR ratio within 0.52–0.95) were detected, carbon capture was maximized. The proposed control concept was shown for a fully automated OUR-based control system as well as for a simplified version based on direct waste flow control. For both cases, significant improvements in effluent suspended solids level and stability (<50-mg TSS/L), solids capture over the clarifier (>90%), and COD capture (median of 32%) were achieved. This study shows how one can overcome the process instability of current HRAS systems and provide a path to achieve more reliable outcomes. | ||||
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| Language | Wos | 000840360100001 | Publication Date | 2022-07-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1061-4303; 1554-7531 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 3.1 | |||
| Call Number | UA @ admin @ c:irua:189409 | Serial | 7174 | ||
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| Author | Lu, X.P.; Bruggeman, P.J.; Reuter, S.; Naidis, G.; Bogaerts, A.; Laroussi, M.; Keidar, M.; Robert, E.; Pouvesle, J.-M.; Liu, D.W.; Ostrikov, K.(K.) | ||||
| Title | Grand challenges in low temperature plasmas | Type | A1 Journal article | ||
| Year | 2022 | Publication | Frontiers in physics | Abbreviated Journal | |
| Volume | 10 | Issue | Pages | 1040658-12 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Low temperature plasmas (LTPs) enable to create a highly reactive environment at near ambient temperatures due to the energetic electrons with typical kinetic energies in the range of 1 to 10 eV (1 eV = 11600K), which are being used in applications ranging from plasma etching of electronic chips and additive manufacturing to plasma-assisted combustion. LTPs are at the core of many advanced technologies. Without LTPs, many of the conveniences of modern society would simply not exist. New applications of LTPs are continuously being proposed. Researchers are facing many grand challenges before these new applications can be translated to practice. In this paper, we will discuss the challenges being faced in the field of LTPs, in particular for atmospheric pressure plasmas, with a focus on health, energy and sustainability. | ||||
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| Language | Wos | 000878212000001 | Publication Date | 2022-10-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2296-424x | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 3.1 | |||
| Call Number | UA @ admin @ c:irua:192173 | Serial | 7267 | ||
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| Author | Li, Y.; Niklas, K.J.; Gielis, J.; Niinemets, Ü.; Schrader, J.; Wang, R.; Shi, P. | ||||
| Title | An elliptical blade is not a true ellipse, but a superellipse : evidence from two Michelia species | Type | A1 Journal article | ||
| Year | 2022 | Publication | Journal of forestry research | Abbreviated Journal | J Forestry Res |
| Volume | 33 | Issue | 4 | Pages | 1341-1348 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The shape of leaf laminae exhibits considerable diversity and complexity that reflects adaptations to environmental factors such as ambient light and precipitation as well as phyletic legacy. Many leaves appear to be elliptical which may represent a ‘default’ developmental condition. However, whether their geometry truly conforms to the ellipse equation (EE), i.e., (x/a)2 + (y/b)2 = 1, remains conjectural. One alternative is described by the superellipse equation (SE), a generalized version of EE, i.e., |x/a|n +|y/b|n = 1. To test the efficacy of EE versus SE to describe leaf geometry, the leaf shapes of two Michelia species (i.e., M. cavaleriei var. platypetala, and M. maudiae), were investigated using 60 leaves from each species. Analysis shows that the majority of leaves (118 out of 120) had adjusted root-mean-square errors of < 0.05 for the nonlinear fitting of SE to leaf geometry, i.e., the mean absolute deviation from the polar point to leaf marginal points was smaller than 5% of the radius of a hypothesized circle with its area equaling leaf area. The estimates of n for the two species were ˂ 2, indicating that all sampled leaves conformed to SE and not to EE. This study confirms the existence of SE in leaves, linking this to its potential functional advantages, particularly the possible influence of leaf shape on hydraulic conductance. | ||||
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| Language | Wos | 000695118600001 | Publication Date | 2021-09-12 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1007-662x; 1993-0607 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 3 | |||
| Call Number | UA @ admin @ c:irua:180967 | Serial | 7152 | ||
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| Author | Jenkinson, K.; Liz-Marzan, L.M.; Bals, S. | ||||
| Title | Multimode electron tomography sheds light on synthesis, structure, and properties of complex metal-based nanoparticles | Type | A1 Journal article | ||
| Year | 2022 | Publication | Advanced materials | Abbreviated Journal | Adv Mater |
| Volume | 34 | Issue | 36 | Pages | 2110394-19 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Electron tomography has become a cornerstone technique for the visualization of nanoparticle morphology in three dimensions. However, to obtain in-depth information about a nanoparticle beyond surface faceting and morphology, different electron microscopy signals must be combined. The most notable examples of these combined signals include annular dark-field scanning transmission electron microscopy (ADF-STEM) with different collection angles and the combination of ADF-STEM with energy-dispersive X-ray or electron energy loss spectroscopies. Here, the experimental and computational development of various multimode tomography techniques in connection to the fundamental materials science challenges that multimode tomography has been instrumental to overcoming are summarized. Although the techniques can be applied to a wide variety of compositions, the study is restricted to metal and metal oxide nanoparticles for the sake of simplicity. Current challenges and future directions of multimode tomography are additionally discussed. | ||||
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| Language | Wos | 000831332200001 | Publication Date | 2022-04-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0935-9648 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 29.4 | Times cited | 10 | Open Access | OpenAccess |
| Notes | The authors thank the financial support of the European Research Council (ERC-AdG-2017 787510, ERC-CoG-2019 815128) and of the European Commission (EUSMI, Grant 731019 and ESTEEM3, Grant 823717). | Approved |
Most recent IF: 29.4 | ||
| Call Number | UA @ admin @ c:irua:189616 | Serial | 7087 | ||
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| Author | Ni, B.; Mychinko, M.; Gómez‐Graña, S.; Morales‐Vidal, J.; Obelleiro‐Liz, M.; Heyvaert, W.; Vila‐Liarte, D.; Zhuo, X.; Albrecht, W.; Zheng, G.; González‐Rubio, G.; Taboada, J.M.; Obelleiro, F.; López, N.; Pérez‐Juste, J.; Pastoriza‐Santos, I.; Cölfen, H.; Bals, S.; Liz‐Marzán, L.M. | ||||
| Title | Chiral Seeded Growth of Gold Nanorods Into 4‐Fold Twisted Nanoparticles with Plasmonic Optical Activity | Type | A1 Journal article | ||
| Year | 2022 | Publication | Advanced materials | Abbreviated Journal | Adv Mater |
| Volume | Issue | Pages | 2208299 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A robust and reproducible methodology to prepare stable inorganic nanoparticles with chiral morphology might hold the key to the practical utilization of these materials. We describe herein an optimized chiral growth method to prepare 4-fold twisted gold nanorods, where the amino acid cysteine is used as a dissymmetry inducer. Four tilted ridges were found to develop on the surface of single-crystal nanorods upon repeated reduction of HAuCl4, in the presence of cysteine as the chiral inducer and ascorbic acid as a reducing agent. From detailed electron microscopy analysis of the crystallographic structures, we propose that dissymmetry results from the development of chiral facets in the form of protrusions (tilted ridges) on the initial nanorods, eventually leading to a twisted shape. The role of cysteine is attributed to assisting enantioselective facet evolution, which is supported by density functional theory simulations of the surface energies, modified upon adsorption of the chiral molecule. The development of R-type and S-type chiral structures (small facets, terraces, or kinks) would thus be non-equal, removing the mirror symmetry of the Au NR and in turn resulting in a markedly chiral morphology with high plasmonic optical activity. | ||||
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| Language | Wos | 000888886000001 | Publication Date | 2022-10-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0935-9648 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 29.4 | Times cited | 35 | Open Access | OpenAccess |
| Notes | This work was supported by the MCIN/AEI/10.13039/501100011033 (Grants PID2019-108954RB-I00, PID2020-117371RA-I00, PID2020-117779RB-I00, and Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency Grant No. MDM-2017-0720), Xunta de Galicia/FEDER (Grant GRC ED431C 2020/09) and the European Regional Development Fund (ERDF). M.M., W.H. and S.B. acknowledge financial support from the European Commission under the Horizon 2020 Programme by ERC Consolidator grant no. 815128 (REALNANO). W.A. acknowledges financial support from the research program of AMOLF, which is partly financed by the Dutch Research Council (NWO). J. M.-V. and N. L. thank the Spanish Ministry of Science and Innovation for financial support (RTI2018- 101394-B-I00 and Severo Ochoa Grant MCIN/AEI/10.13039/501100011033 CEX2019-000925-S) and the Barcelona Supercomputing Center-MareNostrum (BSC-RES) for providing generous computer resources. S.G.-G. acknowledges the MCIN. B. N. acknowledges a postdoctoral fellowship of the Alexander von Humboldt Foundation. G. G.-R. acknowledges the Deutsche Forschungsgemeinschaft (GO 3526/1-1) for financial support. H.C. thanks Deutsche Forschungsgemeinschaft (DFG) SFB 1214 project B1 for funding. G.C-Z. acknowledges National Natural Science Foundation of China (Grant No. 21902148). | Approved |
Most recent IF: 29.4 | ||
| Call Number | EMAT @ emat @c:irua:191808 | Serial | 7115 | ||
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| Author | Han, S.; Tang, C.S.; Li, L.; Liu, Y.; Liu, H.; Gou, J.; Wu, J.; Zhou, D.; Yang, P.; Diao, C.; Ji, J.; Bao, J.; Zhang, L.; Zhao, M.; Milošević, M.V.; Guo, Y.; Tian, L.; Breese, M.B.H.; Cao, G.; Cai, C.; Wee, A.T.S.; Yin, X. | ||||
| Title | Orbital-hybridization-driven charge density wave transition in CsV₃Sb₅ kagome superconductor | Type | A1 Journal article | ||
| Year | 2022 | Publication | Advanced materials | Abbreviated Journal | Adv Mater |
| Volume | Issue | Pages | 1-9 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Owing to its inherent non-trivial geometry, the unique structural motif of the recently discovered kagome topological superconductor AV(3)Sb(5) (A = K, Rb, Cs) is an ideal host of diverse topologically non-trivial phenomena, including giant anomalous Hall conductivity, topological charge order, charge density wave (CDW), and unconventional superconductivity. Despite possessing a normal-state CDW order in the form of topological chiral charge order and diverse superconducting gaps structures, it remains unclear how fundamental atomic-level properties and many-body effects including Fermi surface nesting, electron-phonon coupling, and orbital hybridization contribute to these symmetry-breaking phenomena. Here, the direct participation of the V3d-Sb5p orbital hybridization in mediating the CDW phase transition in CsV3Sb5 is reported. The combination of temperature-dependent X-ray absorption and first-principles studies clearly indicates the inverse Star-of-David structure as the preferred reconstruction in the low-temperature CDW phase. The results highlight the critical role that Sb orbitals play and establish orbital hybridization as the direct mediator of the CDW states and structural transition dynamics in kagome unconventional superconductors. This is a significant step toward the fundamental understanding and control of the emerging correlated phases from the kagome lattice through the orbital interactions and provides promising approaches to novel regimes in unconventional orders and topology. | ||||
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| Language | Wos | 000903664200001 | Publication Date | 2022-12-05 | |
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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 | 1 | Open Access | OpenAccess |
| Notes | Approved |
Most recent IF: 29.4 | |||
| Call Number | UA @ admin @ c:irua:193500 | Serial | 7328 | ||
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| Author | Kelly, S.; Verheyen, C.; Cowley, A.; Bogaerts, A. | ||||
| Title | Producing oxygen and fertilizer with the Martian atmosphere by using microwave plasma | Type | A1 Journal article | ||
| Year | 2022 | Publication | Chem | Abbreviated Journal | Chem |
| Volume | 8 | Issue | 10 | Pages | 2797-2816 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We explorethepotentialofmicrowave(MW)-plasma-based in situ utilizationoftheMartianatmospherewithafocusonthenovelpos- sibilityoffixingN2 forfertilizerproduction. Conversioninasimulant plasma (i.e., 96% CO2, 2% N2, and 2% Ar),performedunderen- ergyconditionssimilartothoseoftheMarsOxygen In Situ Resource UtilizationExperiment(MOXIE),currentlyonboardNASA’sPerse- verancerover,demonstratesthatO/O2 formedthroughCO2 dissociation facilitatesthefixationoftheN2 fractionviaoxidationtoNOx. PromisingproductionratesforO2, CO,andNOx of 47.0,76.1,and 1.25g/h,respectively,arerecordedwithcorrespondingenergy costs of0.021,0.013,and0.79kWh/g,respectively.Notably,O2 productionratesare 30 timeshigherthanthosedemonstrated by MOXIE,whiletheNOx production raterepresentsan 7% fixa- tionoftheN2 fraction presentintheMartian atmosphere.MW- plasma-basedconversionthereforeshowsgreatpotentialasan in situ resourceutilization(ISRU)technologyonMarsinthatitsimulta- neouslyfixesN2 and producesO2. |
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| Language | Wos | 000875346600005 | Publication Date | 2022-08-22 | |
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| ISSN | 2451-9294 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 23.5 | Times cited | Open Access | OpenAccess | |
| Notes | the Euro- pean Marie Skłodowska-Curie Individual Fellowship ‘‘PENFIX’’ within Horizon 2020 (grant no. 838181), the European Research Council (ERC) under the European Union’s Horizon 2020 Research and Innovation Program (grant no. 810182; SCOPE ERC Synergy project), and the Excellence of Science FWO-FNRS project (FWO grant no. GoF9618n and EOS no. 30505023). C.V. was supported by a FWO aspirant PhD fellowship (grant no. 1184820N). The calculations were per- formed with the Turing HPC infrastructure at the CalcUA core facility of the Univer- siteit Antwerpen (Uantwerpen), a division of the Flemish Supercomputer Centre VSC, funded by the Hercules Foundation, the Flemish government (department EWI), and Uantwerpen. | Approved |
Most recent IF: 23.5 | ||
| Call Number | PLASMANT @ plasmant @c:irua:192174 | Serial | 7243 | ||
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| Author | Nematollahi, P.; Neyts, E.C. | ||||
| Title | Distribution pattern of metal atoms in bimetal-doped pyridinic-N₄ pores determines their potential for electrocatalytic N₂ reduction | Type | A1 Journal article | ||
| Year | 2022 | Publication | Journal Of Physical Chemistry A | Abbreviated Journal | J Phys Chem A |
| Volume | 126 | Issue | 20 | Pages | 3080-3089 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Doping two single transition-metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. However, what if the substrate contains more than one vacancy site? Then, the combination of two TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bimetal composition. In this study, we investigate ammonia synthesis under mild electrocatalytic conditions on a transition-metal-doped porous C24N24 catalyst using density functional theory (DFT). The TMs studied include Ti, Mn, and Cu in a 2:4 dopant ratio (Ti2Mn4@C24N24 and Ti2Cu4@N-24(24)). Our computations show that a single Ti atom in both catalysts exhibits the highest selectivity for N-2 fixation at ambient conditions. This work is a good theoretical model to establish the structure-activity relationship, and the knowledge earned from the metal-N-4 moieties may help studies of related nanomaterials, especially those with curved structures. | ||||
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| Language | Wos | 000804119800003 | Publication Date | 2022-05-12 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 1089-5639; 1520-5215 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.9 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 2.9 | |||
| Call Number | UA @ admin @ c:irua:189023 | Serial | 7146 | ||
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| 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. | ||||
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| Language | Wos | 000767045700001 | Publication Date | 2022-03-09 | |
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| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| 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. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| 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 | ||
| Permanent link to this record | |||||
| Author | Vega Ibañez, F.; Béché, A.; Verbeeck, J. | ||||
| Title | Can a programmable phase plate serve as an aberration corrector in the transmission electron microscope (TEM)? | Type | A1 Journal article | ||
| Year | 2022 | Publication | Microscopy and microanalysis | Abbreviated Journal | Microsc Microanal |
| Volume | Issue | Pages | Pii S1431927622012260-10 | ||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Current progress in programmable electrostatic phase plates raises questions about their usefulness for specific applications. Here, we explore different designs for such phase plates with the specific goal of correcting spherical aberration in the transmission electron microscope (TEM). We numerically investigate whether a phase plate could provide down to 1 angstrom ngstrom spatial resolution on a conventional uncorrected TEM. Different design aspects (fill factor, pixel pattern, symmetry) were evaluated to understand their effect on the electron probe size and current density. Some proposed designs show a probe size () down to 0.66 angstrom, proving that it should be possible to correct spherical aberration well past the 1 angstrom limit using a programmable phase plate consisting of an array of electrostatic phase-shifting elements. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000849975400001 | Publication Date | 2022-09-21 | |
| 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 | 3 | Open Access | OpenAccess |
| Notes | All authors acknowledge funding from the Flemish Research Fund under contract G042820N “Exploring adaptive optics in transmission electron microscopy”. J.V. acknowledges funding from the European Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3 and from the University of Antwerp through a TOP BOF project.; esteem3reported; esteem3jra | Approved |
Most recent IF: 2.8 | ||
| Call Number | UA @ admin @ c:irua:190627 | Serial | 7134 | ||
| Permanent link to this record | |||||
| Author | Van Echelpoel, R.; Kranenburg, R.; van Asten, A.; De Wael, K. | ||||
| Title | Electrochemical detection of MDMA and 2C-B in ecstasy tablets using a selectivity enhancement strategy by in-situ derivatization | Type | A1 Journal article | ||
| Year | 2022 | Publication | Forensic chemistry | Abbreviated Journal | |
| Volume | 27 | Issue | Pages | 100383 | |
| Keywords | A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | Forensic drug laboratories are confronted with increasing amounts of drugs and a demand for faster results that are directly available on-site. In addition, the drug market is getting more complex with hundreds of new psychoactive substances (NPS) entering the market in recent years. Rapid and on-scene presumptive drug testing therefore faces a shift from manual colorimetric tests towards approaches that can detect a wider range of components and process results automatically. Electrochemical detection offers these desired characteristics, making it a suitable candidate for on-site drug detection. In this study, a two-step electrochemical sensor is introduced for the detection of MDMA and 2C-B. Firstly, a direct electrochemical analysis was performed to detect MDMA. Validation experiments on over 70 substances revealed that 2C-B was the only frequently encountered drug that gave a false positive result for MDMA in this first analysis. A second step using in-situ derivatization was subsequently introduced. To this end, formaldehyde was used for N-methylation of 2C-B thereby enhancing its electrochemical profile. The enriched electrochemical fingerprint in the second step allowed for clear differentiation between MDMA and 2C-B. The applicability of this approach was demonstrated with 71 ecstasy tablets seized by the Amsterdam Police. The MDMA/2C-B sensor correctly identified all 39 MDMA-containing tablets and 10 out of 11 tablets containing 2C-B. Most notably, correct results were also obtained for dark colored tablets in which both spectroscopic analysis and colorimetric tests failed due to obscured signals. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000725708200002 | Publication Date | 2021-11-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2468-1709 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 2.7 | |||
| Call Number | UA @ admin @ c:irua:183340 | Serial | 7149 | ||
| Permanent link to this record | |||||
| Author | Li, Y.; Quinn, B.K.; Gielis, J.; Li, Y.; Shi, P. | ||||
| Title | Evidence that supertriangles exist in nature from the vertical projections of Koelreuteria paniculata fruit | Type | A1 Journal article | ||
| Year | 2022 | Publication | Symmetry | Abbreviated Journal | Symmetry-Basel |
| Volume | 14 | Issue | 1 | Pages | 23 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Many natural radial symmetrical shapes (e.g., sea stars) follow the Gielis equation (GE) or its twin equation (TGE). A supertriangle (three triangles arranged around a central polygon) represents such a shape, but no study has tested whether natural shapes can be represented as/are supertriangles or whether the GE or TGE can describe their shape. We collected 100 pieces of Koelreuteria paniculata fruit, which have a supertriangular shape, extracted the boundary coordinates for their vertical projections, and then fitted them with the GE and TGE. The adjusted root mean square errors (RMSEadj) of the two equations were always less than 0.08, and >70% were less than 0.05. For 57/100 fruit projections, the GE had a lower RMSEadj than the TGE, although overall differences in the goodness of fit were non-significant. However, the TGE produces more symmetrical shapes than the GE as the two parameters controlling the extent of symmetry in it are approximately equal. This work demonstrates that natural supertriangles exist, validates the use of the GE and TGE to model their shapes, and suggests that different complex radially symmetrical shapes can be generated by the same equation, implying that different types of biological symmetry may result from the same biophysical mechanisms. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000746030100001 | Publication Date | 2021-12-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2073-8994 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 2.7 | |||
| Call Number | UA @ admin @ c:irua:186453 | Serial | 7158 | ||
| Permanent link to this record | |||||
| Author | Wang, L.; Ratkowsky, D.A.; Gielis, J.; Ricci, P.E.; Shi, P. | ||||
| Title | Effects of the numerical values of the parameters in the Gielis equation on its geometries | Type | A1 Journal article | ||
| Year | 2022 | Publication | Symmetry | Abbreviated Journal | Symmetry-Basel |
| Volume | 14 | Issue | 12 | Pages | 2475-12 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The Lamé curve is an extension of an ellipse, the latter being a special case. Dr. Johan Gielis further extended the Lamé curve in the polar coordinate system by introducing additional parameters (n1, n2, n3; m): rφ=1Acosm4φn2+1Bsinm4φn3−1/n1, which can be applied to model natural geometries. Here, r is the polar radius corresponding to the polar angle φ; A, B, n1, n2 and n3 are parameters to be estimated; m is the positive real number that determines the number of angles of the Gielis curve. Most prior studies on the Gielis equation focused mainly on its applications. However, the Gielis equation can also generate a large number of shapes that are rotationally symmetric and axisymmetric when A = B and n2 = n3, interrelated with the parameter m, with the parameters n1 and n2 determining the shapes of the curves. In this paper, we prove the relationship between m and the rotational symmetry and axial symmetry of the Gielis curve from a theoretical point of view with the condition A = B, n2 = n3. We also set n1 and n2 to take negative real numbers rather than only taking positive real numbers, then classify the curves based on extremal properties of r(φ) at φ = 0, π/m when n1 and n2 are in different intervals, and analyze how n1, n2 precisely affect the shapes of Gielis curves. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000904525700001 | Publication Date | 2022-11-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2073-8994 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 2.7 | |||
| Call Number | UA @ admin @ c:irua:191860 | Serial | 7301 | ||
| Permanent link to this record | |||||
| Author | Derks, K.; van der Snickt, G.; Legrand, S.; van der Stighelen, K.; Janssens, K. | ||||
| Title | The dark halo technique in the oeuvre of Michael Sweerts and other Flemish and Dutch baroque painters. A 17th c. empirical solution to mitigate the optical 'simultaneous contrast' effect? | Type | A1 Journal article | ||
| Year | 2022 | Publication | Heritage science | Abbreviated Journal | |
| Volume | 10 | Issue | 1 | Pages | 5 |
| Keywords | A1 Journal article; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
| Abstract | Although the topic is rarely addressed in literature, a significant number of baroque paintings exhibit dark, halo-like shapes around the contours of the dramatis personae. Close examination of both finished and unfinished works suggests that this intriguing feature was a practical tool that helped the artist in the early painting stages. When applying the final brushwork, the halo lost its function, with some artists undertaking efforts to hide it. Although their visibility might not have been intended by the artists, today this dark paint beneath the surface is partially visible through the upper paint layers. Moreover, the disclosure of many halos using infrared photography (IRP), infrared reflectography (IRR) and macro X-ray fluorescence imaging (MA-XRF), additional to those that can be observed visually, suggests that this was a common and established element of 17th-century painting practice in Western Europe. Building on an existing hypothesis, we argue that halos can be considered as a solution to an optical problem that arose when baroque painters reversed the traditional, 15th- and 16th-century painting sequence of working from background to foreground. Instead, they started with the dominant parts of a composition, such as the face of a sitter. In that case, a temporary halo can provide the essential tonal reference to anticipate the chromatic impact of the final dark colored background on the adjacent delicate carnations. In particular, we attempt to clarify the prevalence of dark halos as a response to optical effects such as 'simultaneous contrast' and 'the crispening effect', described in literature only centuries later. As such, the recently termed 'ring condition' can be seen as the present-day equivalent of the 'halo solution' that was seemingly empirically or intuitively developed by 17th-century artists. Modern studies in visual perception proves that by laying a black ring around a target color, the optical impact of a surrounding color can be efficiently neutralized. Finally, by delving into works by Michael Sweerts, it becomes clear that resourceful artists might have adapted the halo technique and the underlying principles to their individual challenges, such as dealing with differently colored grounds. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000739965700001 | Publication Date | 2022-01-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2050-7445 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.5 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 2.5 | |||
| Call Number | UA @ admin @ c:irua:185458 | Serial | 7217 | ||
| Permanent link to this record | |||||
| Author | Alloul, A.; Van Kampen, W.; Cerruti, M.; Wittouck, S.; Pabst, M.; Weissbrodt, D.G. | ||||
| Title | Exploring the role of antimicrobials in the selective growth of purple phototrophic bacteria through genome mining and agar spot assays | Type | A1 Journal article | ||
| Year | 2022 | Publication | Letters in applied microbiology | Abbreviated Journal | Lett Appl Microbiol |
| Volume | 75 | Issue | 5 | Pages | 1275-1285 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Purple non-sulphur bacteria (PNSB) are an emerging group of microbes attractive for applied microbiology applications such as wastewater treatment, plant biostimulants, microbial protein, polyhydroxyalkanoates and H-2 production. These photoorganoheterotrophic microbes have the unique ability to grow selectively on organic carbon in anaerobic photobioreactors. This so-called selectivity implies that the microbial community will have a low diversity and a high abundance of a particular PNSB species. Recently, it has been shown that certain PNSB strains can produce antimicrobials, yet it remains unclear whether these contribute to competitive inhibition. This research aimed to understand which type of antimicrobial PNSB produce and identify whether these compounds contribute to their selective growth. Mining 166 publicly-available PNSB genomes using the computational tool BAGEL showed that 59% contained antimicrobial encoding regions, more specifically biosynthetic clusters of bacteriocins and non-ribosomal peptide synthetases. Inter- and intra-species inhibition was observed in agar spot assays for Rhodobacter blasticus EBR2 and Rhodopseudomonas palustris EBE1 with inhibition zones of, respectively, 5.1 and 1.5-5.7 mm. Peptidomic analysis detected a peptide fragment in the supernatant (SVLQLLR) that had a 100% percentage identity match with a known non-ribosomal peptide synthetase with antimicrobial activity. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000837055500001 | Publication Date | 2022-07-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0266-8254 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.4 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 2.4 | |||
| Call Number | UA @ admin @ c:irua:189519 | Serial | 7162 | ||
| Permanent link to this record | |||||
| Author | Velazco, A.; Béché, A.; Jannis, D.; Verbeeck, J. | ||||
| Title | Reducing electron beam damage through alternative STEM scanning strategies, Part I: Experimental findings | Type | A1 Journal article | ||
| Year | 2022 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 232 | Issue | Pages | 113398 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The highly energetic electrons in a transmission electron microscope (TEM) can alter or even completely destroy the structure of samples before sufficient information can be obtained. This is especially problematic in the case of zeolites, organic and biological materials. As this effect depends on both the electron beam and the sample and can involve multiple damage pathways, its study remained difficult and is plagued with irreproducibility issues, circumstantial evidence, rumors, and a general lack of solid data. Here we take on the experimental challenge to investigate the role of the STEM scan pattern on the damage behavior of a commercially available zeolite sample with the clear aim to make our observations as reproducible as possible. We make use of a freely programmable scan engine that gives full control over the tempospatial distribution of the electron probe on the sample and we use its flexibility to obtain multiple repeated experiments under identical conditions comparing the difference in beam damage between a conventional raster scan pattern and a newly proposed interleaved scan pattern that provides exactly the same dose and dose rate and visits exactly the same scan points. We observe a significant difference in beam damage for both patterns with up to 11 % reduction in damage (measured from mass loss). These observations demonstrate without doubt that electron dose, dose rate and acceleration voltage are not the only parameters affecting beam damage in (S)TEM experiments and invite the community to rethink beam damage as an unavoidable consequence of applied electron dose. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000714819200002 | Publication Date | 2021-10-02 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.2 | Times cited | 18 | Open Access | OpenAccess |
| Notes | A.V., D.J., A.B. and J.V. acknowledge funding from FWO project G093417N (’Compressed sensing enabling low dose imaging in transmission electron microscopy’) and G042920N (’Coincident event detection for advanced spectroscopy in transmission electron microscopy’). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 ESTEEM3. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from GOA project “Solarpaint” of the University of Antwerp.; JRA; reported | Approved |
Most recent IF: 2.2 | ||
| Call Number | EMAT @ emat @c:irua:183282 | Serial | 6818 | ||
| Permanent link to this record | |||||
| Author | Jannis, D.; Hofer, C.; Gao, C.; Xie, X.; Béché, A.; Pennycook, Tj.; Verbeeck, J. | ||||
| Title | Event driven 4D STEM acquisition with a Timepix3 detector: Microsecond dwell time and faster scans for high precision and low dose applications | Type | A1 Journal article | ||
| Year | 2022 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 233 | Issue | Pages | 113423 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Four dimensional scanning transmission electron microscopy (4D STEM) records the scattering of electrons in a material in great detail. The benefits offered by 4D STEM are substantial, with the wealth of data it provides facilitating for instance high precision, high electron dose efficiency phase imaging via centre of mass or ptychography based analysis. However the requirement for a 2D image of the scattering to be recorded at each probe position has long placed a severe bottleneck on the speed at which 4D STEM can be performed. Recent advances in camera technology have greatly reduced this bottleneck, with the detection efficiency of direct electron detectors being especially well suited to the technique. However even the fastest frame driven pixelated detectors still significantly limit the scan speed which can be used in 4D STEM, making the resulting data susceptible to drift and hampering its use for low dose beam sensitive applications. Here we report the development of the use of an event driven Timepix3 direct electron camera that allows us to overcome this bottleneck and achieve 4D STEM dwell times down to 100 ns; orders of magnitude faster than what has been possible with frame based readout. We characterize the detector for different acceleration voltages and show that the method is especially well suited for low dose imaging and promises rich datasets without compromising dwell time when compared to conventional STEM imaging. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000734396800003 | Publication Date | 2021-11-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.2 | Times cited | 31 | Open Access | OpenAccess |
| Notes | This project has received funding from the Euro- pean Union’s Horizon 2020 Research Infrastructure – Integrating Activities for Advanced Communities under grant agreement No 823717 – ESTEEM3. J.V. and A.B. acknowledge funding from FWO project G093417N (‘Compressed sensing enabling low dose imaging in transmission electron microscopy’). J.V. and D.J. ac- knowledge funding from FWO project G042920N ‘Co- incident event detection for advanced spectroscopy in transmission electron microscopy’. We acknowledge funding under the European Union’s Horizon 2020 re- search and innovation programme (J.V. and D.J un- der grant agreement No 101017720, FET-Proactive EBEAM, and C.H., C.G., X.X. and T.J.P. from the Eu- ropean Research Council (ERC) Grant agreement No. 802123-HDEM).; esteem3JRA; esteem3reported | Approved |
Most recent IF: 2.2 | ||
| Call Number | EMAT @ emat @c:irua:183948 | Serial | 6828 | ||
| Permanent link to this record | |||||
| Author | Robert, Hl.; Lobato, I.; Lyu, Fj.; Chen, Q.; Van Aert, S.; Van Dyck, D.; Müller-Caspary, K. | ||||
| Title | Dynamical diffraction of high-energy electrons investigated by focal series momentum-resolved scanning transmission electron microscopy at atomic resolution | Type | A1 Journal article | ||
| Year | 2022 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 233 | Issue | Pages | 113425 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab | ||||
| Abstract | We report a study of scattering dynamics in crystals employing momentum-resolved scanning transmission electron microscopy under varying illumination conditions. As we perform successive changes of the probe focus, multiple real-space signals are obtained in dependence of the shape of the incident electron wave. With support from extensive simulations, each signal is shown to be characterised by an optimum focus for which the contrast is maximum and which differs among different signals. For instance, a systematic focus mismatch is found between images formed by high-angle scattering, being sensitive to thickness and chemical composition, and the first moment in diffraction space, being sensitive to electric fields. It follows that a single recording at one specific probe focus is usually insufficient to characterise materials comprehensively. Most importantly, we demonstrate in experiment and simulation that the second moment ( |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000734396800009 | Publication Date | 2021-11-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.2 | Times cited | Open Access | OpenAccess | |
| Notes | We thank Dr. Florian Winkler for valuable discussions and experimental work at the early stages of this study. This work was supported by the Initiative and Network Fund of the Helmholtz Association (Germany) under contracts VH-NG-1317 and ZT-I-0025. This project furthermore received funding from the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement No. 770887). | Approved |
Most recent IF: 2.2 | ||
| Call Number | EMAT @ emat @c:irua:184833 | Serial | 6898 | ||
| Permanent link to this record | |||||
| Author | Jannis, D.; Velazco, A.; Béché, A.; Verbeeck, J. | ||||
| Title | Reducing electron beam damage through alternative STEM scanning strategies, Part II: Attempt towards an empirical model describing the damage process | Type | A1 Journal article | ||
| Year | 2022 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | Issue | Pages | 113568 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this second part of a series we attempt to construct an empirical model that can mimick all experimental observations made regarding the role of an alternative interleaved scan pattern in STEM imaging on the beam damage in a specific zeolite sample. We make use of a 2D diffusion model that describes the dissipation of the deposited beam energy in the sequence of probe positions that are visited during the scan pattern. The diffusion process allows for the concept of trying to ‘outrun’ the beam damage by carefully tuning the dwell time and distance between consecutively visited probe positions. We add a non linear function to include a threshold effect and evaluate the accumulated damage in each part of the image as a function of scan pattern details. Together, these ingredients are able to describe qualitatively all aspects of the experimental data and provide us with a model that could guide a further optimisation towards even lower beam damage without lowering the applied electron dose. We deliberately remain vague on what is diffusing here which avoids introducing too many sample specific details. This provides hope that the model can be applied also in sample classes that were not yet studied in such great detail by adjusting higher level parameters: a sample dependent diffusion constant and damage threshold. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000832788000003 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.2 | Times cited | 4 | Open Access | OpenAccess |
| Notes | D.J., A.V, A.B. and J.V. acknowledge funding from FWO project G093417N (’Compressed sensing enabling low dose imaging in transmission electron microscopy’) and G042920N (’Coincident event detection for advanced spectroscopy in transmission electron microscopy’). This project has received funding from the European Union’s Horizon 2020 research and innovation programme under grant agreement No 823717 ESTEEM3. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from GOA project “Solarpaint” of the University of Antwerp .; esteem3reported; esteem3jra; | Approved |
Most recent IF: 2.2 | ||
| Call Number | EMAT @ emat @c:irua:188535 | Serial | 7071 | ||
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| Author | Sentürk, D.G.; De Backer, A.; Friedrich, T.; Van Aert, S. | ||||
| Title | Optimal experiment design for element specific atom counting using multiple annular dark field scanning transmission electron microscopy detectors | Type | A1 Journal article | ||
| Year | 2022 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 242 | Issue | Pages | 113626 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | This paper investigates the possible benefits for counting atoms of different chemical nature when analysing multiple 2D scanning transmission electron microscopy (STEM) images resulting from independent annular dark field (ADF) detector regimes. To reach this goal, the principles of statistical detection theory are used to quantify the probability of error when determining the number of atoms in atomic columns consisting of multiple types of elements. In order to apply this theory, atom-counting is formulated as a statistical hypothesis test, where each hypothesis corresponds to a specific number of atoms of each atom type in an atomic column. The probability of error, which is limited by the unavoidable presence of electron counting noise, can then be computed from scattering-cross sections extracted from multiple ADF STEM images. Minimisation of the probability of error as a function of the inner and outer angles of a specified number of independent ADF collection regimes results in optimal experimental designs. Based on simulations of spherical Au@Ag and Au@Pt core–shell nanoparticles, we investigate how the combination of two non-overlapping detector regimes helps to improve the probability of error when unscrambling two types of atoms. In particular, the combination of a narrow low angle ADF detector with a detector formed by the remaining annular collection regime is found to be optimal. The benefit is more significant if the atomic number Z difference becomes larger. In addition, we show the benefit of subdividing the detector regime into three collection areas for heterogeneous nanostructures based on a structure consisting of three types of elements, e.g., a mixture of Au, Ag and Al atoms. Finally, these results are compared with the probability of error resulting when one would ultimately use a pixelated 4D STEM detector and how this could help to further reduce the incident electron dose. |
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000873778100001 | Publication Date | 0000-00-00 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0304-3991 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.2 | Times cited | Open Access | OpenAccess | |
| Notes | This work was supported by the European Research Council (Grant 770887 PICOMETRICS to S. Van Aert and Grant 823717 ESTEEM3). The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings (G.0346.21N and EOS 30489208) and a postdoctoral grant to A. De Backer. S. Van Aert acknowledges funding from the University of Antwerp Research fund (BOF).; esteem3reported; esteem3jra | Approved |
Most recent IF: 2.2 | ||
| Call Number | EMAT @ emat @c:irua:190925 | Serial | 7118 | ||
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| Author | Van Hoecke, L.; Boeye, D.; Gonzalez‐Quiroga, A.; Patience, G.S.; Perreault, P. | ||||
| Title | Experimental methods in chemical engineering : computational fluid dynamics/finite volume method–CFD/FVM | Type | A1 Journal article | ||
| Year | 2022 | Publication | The Canadian journal of chemical engineering | Abbreviated Journal | Can J Chem Eng |
| Volume | Issue | Pages | 1-17 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Computational fluid dynamics (CFD) applies numerical methods to solve transport phenomena problems. These include, for example, problems related to fluid flow comprising the Navier--Stokes transport equations for either compressible or incompressible fluids together with turbulence models and continuity equations for single and multi-component (reacting and inert) systems. The design space is first segmented into discrete volume elements (meshing). The finite volume method, the subject of this article, discretizes the equations in time and space to produce a set of non-linear algebraic expressions that are assigned to each volume element-cell. The system of equations is solved iteratively with algorithms like the semi-implicit method for pressure-linked equations (SIMPLE) and the pressure implicit splitting of operators (PISO). CFD is especially useful for testing multiple design elements because it is often faster and cheaper than experiments. The downside is that this numerical method is based on models that require validation to check their accuracy. According to a bibliometric analysis, the broad research domains in chemical engineering include: (1) dynamics and CFD-DEM (2) fluid flow, heat transfer and turbulence, (3) mass transfer and combustion, (4) ventilation and environment, and (5) design and optimization. Here, we review the basic theoretical concepts of CFD and illustrate how to set up a problem in the open-source software OpenFOAM to isomerize n-butane to i-butane in a notched reactor under turbulent conditions. We simulated the problem with 1000, 4000, and 16000 cells. According to the Richardson extrapolation, the simulation underestimates the adiabatic temperature rise by 7% with 16000 cells. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000859840100001 | Publication Date | 2022-07-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0008-4034; 1939-019x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved |
Most recent IF: 2.1 | |||
| Call Number | UA @ admin @ c:irua:189284 | Serial | 7160 | ||
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| Author | Zeegers, M.T.; Kadu, A.; van Leeuwen, T.; Batenburg, K.J. | ||||
| Title | ADJUST : a dictionary-based joint reconstruction and unmixing method for spectral tomography | Type | A1 Journal article | ||
| Year | 2022 | Publication | Inverse problems | Abbreviated Journal | Inverse Probl |
| Volume | 38 | Issue | 12 | Pages | 125002-125033 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Advances in multi-spectral detectors are causing a paradigm shift in x-ray computed tomography (CT). Spectral information acquired from these detectors can be used to extract volumetric material composition maps of the object of interest. If the materials and their spectral responses are known a priori, the image reconstruction step is rather straightforward. If they are not known, however, the maps as well as the responses need to be estimated jointly. A conventional workflow in spectral CT involves performing volume reconstruction followed by material decomposition, or vice versa. However, these methods inherently suffer from the ill-posedness of the joint reconstruction problem. To resolve this issue, we propose 'A Dictionary-based Joint reconstruction and Unmixing method for Spectral Tomography' (ADJUST). Our formulation relies on forming a dictionary of spectral signatures of materials common in CT and prior knowledge of the number of materials present in an object. In particular, we decompose the spectral volume linearly in terms of spatial material maps, a spectral dictionary, and the indicator of materials for the dictionary elements. We propose a memory-efficient accelerated alternating proximal gradient method to find an approximate solution to the resulting bi-convex problem. From numerical demonstrations on several synthetic phantoms, we observe that ADJUST performs exceedingly well compared to other state-of-the-art methods. Additionally, we address the robustness of ADJUST against limited and noisy measurement patterns. The demonstration of the proposed approach on a spectral micro-CT dataset shows its potential for real-world applications. Code is available at https://github.com/mzeegers/ADJUST. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000868885200001 | Publication Date | 2022-09-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0266-5611 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.1 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved |
Most recent IF: 2.1 | |||
| Call Number | UA @ admin @ c:irua:191536 | Serial | 7280 | ||
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| Author | Zillner, J.; Boyen, H.-G.; Schulz, P.; Hanisch, J.; Gauquelin, N.; Verbeeck, J.; Kueffner, J.; Desta, D.; Eisele, L.; Ahlswede, E.; Powalla, M. | ||||
| Title | The role of SnF₂ additive on interface formation in all lead-free FASnI₃ perovskite solar cells | Type | A1 Journal article | ||
| Year | 2022 | Publication | Advanced functional materials | Abbreviated Journal | Adv Funct Mater |
| Volume | Issue | Pages | 2109649-9 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Tin-based perovskites are promising alternative absorber materials for leadfree perovskite solar cells but need strategies to avoid fast tin (Sn) oxidation. Generally, this reaction can be slowed down by the addition of tin fluoride (SnF2) to the perovskite precursor solution, which also improves the perovskite layer morphology. Here, this work analyzes the spatial distribution of the additive within formamidinium tin triiodide (FASnI(3)) films deposited on top of poly(3,4-ethylenedioxythiophene):poly(styrenesulfonate) (PEDOT:PSS) hole transporting layers. Employing time-of-flight secondary ion mass spectrometry and a combination of hard and soft X-ray photoelectron spectroscopy, it is found that Sn F2 preferably accumulates at the PEDOT:PSS/perovskite interface, accompanied by the formation of an ultrathin SnS interlayer with an effective thickness of approximate to 1.2 nm. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000779891000001 | Publication Date | 0000-00-00 | |
| 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 | 19 | Times cited | 22 | Open Access | OpenAccess |
| Notes | J.Z. and H.-G.B. contributed equally to this work. This project received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No. 850937 (PERCISTAND). H.-G.B. and D.D. are very grateful to the Research Foundation Flanders (FWO) for funding the HAXPES-lab instrument within the HERCULES program for Large Research Infrastructure of the Flemish government. P.S. thanks the French Agence Nationale de la Recherche for funding under the contract number ANR-17-MPGA-0012. This work was supported by the Federal Ministry for Economic Affairs and Energy (BMWi) Germany under the contract number 03EE1038A (CAPITANO) and financed by the Ministry of Science, Research and the Arts of Baden-Württemberg as part of the sustainability financing of the projects of the Excellence Initiative II (KSOP). | Approved |
Most recent IF: 19 | ||
| Call Number | UA @ admin @ c:irua:187969 | Serial | 7067 | ||
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| Author | Choo, P.; Arenas-Esteban, D.; Jung, I.; Chang, W.J.; Weiss, E.A.; Bals, S.; Odom, T.W. | ||||
| Title | Investigating Reaction Intermediates during the Seedless Growth of Gold Nanostars Using Electron Tomography | Type | A1 Journal article | ||
| Year | 2022 | Publication | ACS nano | Abbreviated Journal | Acs Nano |
| Volume | 16 | Issue | 3 | Pages | 4408-4414 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Good’s buffers can act both as nucleating and shape- directing agents during the synthesis of anisotropic gold nanostars (AuNS). Although different Good’s buffers can produce AuNS shapes with branches that are oriented along specific crystallographic directions, the mechanism is not fully understood. This paper reports how an analysis of the intermediate structures during AuNS synthesis from HEPES, EPPS, and MOPS Good’s buffers can provide insight into the formation of seedless AuNS. Electron tomography of AuNS structures quenched at early times (minutes) was used to characterize the morphology of the incipient seeds, and later times were used to construct the growth maps. Through this approach, we identified how the crystallinity and shape of the first structures synthesized with different Good’s buffers determine the final AuNS morphologies. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000780214300084 | Publication Date | 2022-03-22 | |
| 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 | 17.1 | Times cited | 12 | Open Access | OpenAccess |
| Notes | This work was supported by the National Science Foundation (NSF) under award NSF CHE-1808502 (P.C. and I.J.). This work made use of the EPIC facility of Northwestern University’s NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern’s MRSEC program (NSF DMR-1720139). D.A E. and S.B. acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 REALNANO and Grant Agreement No. 731019 EUSMI).; sygmaSB | Approved |
Most recent IF: 17.1 | ||
| Call Number | EMAT @ emat @c:irua:187930 | Serial | 7055 | ||
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| Author | Pedrazo-Tardajos, A.; Arslan Irmak, E.; Kumar, V.; Sánchez-Iglesias, A.; Chen, Q.; Wirix, M.; Freitag, B.; Albrecht, W.; Van Aert, S.; Liz-Marzán, L.M.; Bals, S. | ||||
| Title | Thermal Activation of Gold Atom Diffusion in Au@Pt Nanorods | Type | A1 Journal article | ||
| Year | 2022 | Publication | ACS nano | Abbreviated Journal | Acs Nano |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Understanding the thermal stability of bimetallic nanoparticles is of vital importance to preserve their functionalities during their use in a variety of applications. In contrast to well-studied bimetallic systems such as Au@Ag, heat-induced morphological and compositional changes in Au@Pt nanoparticles are insufficiently understood, even though Au@Pt is an important material for catalysis. To investigate the thermal instability of Au@Pt nanorods at temperatures below their bulk melting point, we combined in situ heating with two- and three-dimensional electron microscopy techniques, including three-dimensional energy-dispersive X-ray spectroscopy. The experimental results were used as input for molecular dynamics simulations, to unravel the mechanisms behind the morphological transformation of Au@Pt core–shell nanorods. We conclude that thermal stability is influenced not only by the degree of coverage of Pt on Au but also by structural details of the Pt shell. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000819246800001 | Publication Date | 2022-06-10 | |
| 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 | 17.1 | Times cited | 8 | Open Access | OpenAccess |
| Notes | S.B., S.V.A., L.M.L.-M. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Programme by grant nos. 731019 (EUSMI) and 823717 (ESTEEM3) and ERC Consolidator grant nos. 815128 (REALNANO) and 770887 (PICOMETRICS). L.M.L.-M. acknowledges funding from MCIN/AEI/10.13039/501100011033 through grants no. PID2020-117779RB-I00 and Maria de Maeztu Unit of Excellence no. MDM-2017-0720. The authors acknowledge the resources and services used for the simulations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government.; esteem3reported; esteem3JRA | Approved |
Most recent IF: 17.1 | ||
| Call Number | EMAT @ emat @c:irua:188540 | Serial | 7072 | ||
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