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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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| Language | Wos | 000779891000001 | Publication Date | 0000-00-00 | |
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| 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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Zhuo, X.; Mychinko, M.; Heyvaert, W.; Larios, D.; Obelleiro-Liz, M.; Taboada, J.M.; Bals, S.; Liz-Marzán, L.M. | ||||
| Title | Morphological and Optical Transitions during Micelle-Seeded Chiral Growth on Gold 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 | Chiral plasmonics is a rapidly developing field where breakthroughs and unsolved problems coexist. We have recently reported binary surfactant-assisted seeded growth of chiral gold nanorods (Au NRs) with high chiroptical activity. Such a seeded-growth process involves the use of a chiral cosurfactant that induces micellar helicity, in turn driving the transition from achiral to chiral Au NRs, from both the morphological and the optical points of view. We report herein a detailed study on both transitions, which reveals intermediate states that were hidden so far. The correlation between structure and optical response is carefully analyzed, including the (linear and CD) spectral evolution over time, electron tomography, the impact of NR dimensions on their optical response, the variation of the absorption-to-scattering ratio during the evolution from achiral to chiral Au NRs, and the near-field enhancement related to chiral plasmon modes. Our findings provide further understanding of the growth process of chiral Au NRs and the associated optical changes, which will facilitate further study and applications of chiral nanomaterials. | ||||
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| Language | Wos | 000878324400001 | Publication Date | 2022-10-26 | |
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| ISSN | 1936-0851 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 17.1 | Times cited | 17 | Open Access | OpenAccess |
| Notes | This work was supported by the European Research Council (ERC-AdG-4DbioSERS-787510 to L.M.L.-M. and ERC-CoG-REALNANO-815128 to S.B.) and the MCIN/AEI/10.13039/501100011033 (Grant PID2020-117779RB-I00). X.Z. acknowledges funding from the Juan de la Cierva fellowship (FJC2018-036104-I) and the University Development Fund (UDF01002665, CUHK-Shenzhen). D.L., M.O.-L., and J.M.T. acknowledge funding from the European Regional Development Fund (ERDF) and the Spanish Ministerio de Ciencia, Innovación y Universidades, under Projects PID2020-116627RB-C21 and PID2020-116627RB-C22, as well as from the ERDF/Galician Regional Government as part of the agreement for funding the Atlantic Research Center for Information and Communication Technologies (atlanTTic) and ERDF/Extremadura Regional Government under Projects IB18073 and GR18055. This work was performed in the framework of the Maria de Maeztu Units of Excellence Program from the Spanish State Research Agency (Grant No. MDM-2017-0720). The authors acknowledge Dr. Guillermo González-Rubio for providing suggestions for synthesis and Dr. Irantzu Llarena for assisting with the CD measurements. | Approved | Most recent IF: 17.1 | ||
| Call Number | EMAT @ emat @c:irua:191815 | Serial | 7116 | ||
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Zhu, W.; Van Tendeloo, M.; Xie, Y.; Timmer, M.J.; Peng, L.; Vlaeminck, S.E. | ||||
| Title | Storage without nitrite or nitrate enables the long-term preservation of full-scale partial nitritation/anammox sludge | Type | A1 Journal article | ||
| Year | 2022 | Publication | The science of the total environment | Abbreviated Journal | Sci Total Environ |
| Volume | 806 | Issue | 3 | Pages | 151330 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Bioaugmentation with summer harvested sludge during winter could compensate for bacterial activity loss but requires that sludge activity can be restored after storage. This study assesses the effect of temperature and redox adjustment during the storage over 180 days of partial nitritation/anammox (PN/A) granular resp. floccular sludge from potato processing resp. sludge reject water treatment. Anoxic storage conditions (in the presence of nitrite or nitrate and the absence of oxygen) resulted in a loss of 80-100% of the anammox bacteria (AnAOB) activity capacity at 20 degrees C and 4 degrees C, while anaerobic conditions (without oxygen, nitrite, and nitrate) lost only 45-63%. Storage at 20 degrees C was more cost-effective compared to 4 degrees C, and this was confirmed in the sludge reactivation experiment (20 CC). Furthermore, AnAOB activity correlated negatively with the electrical conductivity level (R-2 > 0.85, p < 0.05), so strong salinity increases should be avoided. No significant differences were found in the activity capacity of aerobic ammonia-oxidizing bacteria (AerAOB) under different storage conditions (p > 0.1). The relative abundance of dominant AnAOB (Candidatus Brocadia) and AerAOB genera (Nitrosomonas) remained constant in both sludges. In conclusion, preserving PN/A biomass without cooling and nitrite or nitrate addition proved to be a cost-effective strategy. (C) 2021 Elsevier B.V. All rights reserved. | ||||
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| Language | Wos | 000740216300013 | Publication Date | 2021-10-28 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0048-9697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.8 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 9.8 | |||
| Call Number | UA @ admin @ c:irua:185447 | Serial | 7213 | ||
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| Author |
Zhu, W.; Van Tendeloo, M.; Alloul, A.; Vlaeminck, S.E. | ||||
| Title | Towards mainstream partial nitritation/anammox in four seasons : feasibility of bioaugmentation with stored summer sludge for winter anammox assistance | Type | A1 Journal article | ||
| Year | 2022 | Publication | Bioresource technology | Abbreviated Journal | Bioresource Technol |
| Volume | 347 | Issue | Pages | 126619-11 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The strong effect of low temperatures on anammox challenges its mainstream application over the winter in temperate climates. Winter bioaugmentation with stored summer surplus sludge is a potential solution to guarantee sufficient nitrogen removal in winter. Firstly, the systems for which nitrogen removal deteriorated by the temperature decrease (25 °C → 20 °C) could be fully restored bioaugmenting with granules resp. flocs stored for 6 months at 118 resp. 220% of the initial biomass levels. Secondly, the reactivation of these stored sludges was tested in lower temperature systems (15.3 ± 0.4/10.4 ± 0.4 °C). Compared to the activity before storage, between 56% and 41% of the activity of granules was restored within one month, and 41%–32% for flocs. Additionally, 85–87% of granules and 50–53% of flocs were retained in the systems. After reactivation (15.3 ± 0.4/10.4 ± 0.4 °C), a more specialized community was formed (diversity decreased) with Candidatus Brocadia still dominant in terms of relative abundance. Capital and operating expenditures (CAPEX, OPEX) were negligible, representing only 0.19–0.36% of sewage treatment costs. | ||||
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| Language | Wos | 000781730900001 | Publication Date | 2021-12-25 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 0960-8524 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 11.4 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 11.4 | |||
| Call Number | UA @ admin @ c:irua:185210 | Serial | 7220 | ||
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| Author |
Zhou, Z.; Tan, Y.; Yang, Q.; Bera, A.; Xiong, Z.; Yagmurcukardes, M.; Kim, M.; Zou, Y.; Wang, G.; Mishchenko, A.; Timokhin, I.; Wang, C.; Wang, H.; Yang, C.; Lu, Y.; Boya, R.; Liao, H.; Haigh, S.; Liu, H.; Peeters, F.M.; Li, Y.; Geim, A.K.; Hu, S. | ||||
| Title | Gas permeation through graphdiyne-based nanoporous membranes | Type | A1 Journal article | ||
| Year | 2022 | Publication | Nature communications | Abbreviated Journal | Nat Commun |
| Volume | 13 | Issue | 1 | Pages | 4031-4036 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) | ||||
| Abstract | Nanoporous membranes based on two dimensional materials are predicted to provide highly selective gas transport in combination with extreme permeance. Here we investigate membranes made from multilayer graphdiyne, a graphene-like crystal with a larger unit cell. Despite being nearly a hundred of nanometers thick, the membranes allow fast, Knudsen-type permeation of light gases such as helium and hydrogen whereas heavy noble gases like xenon exhibit strongly suppressed flows. Using isotope and cryogenic temperature measurements, the seemingly conflicting characteristics are explained by a high density of straight-through holes (direct porosity of similar to 0.1%), in which heavy atoms are adsorbed on the walls, partially blocking Knudsen flows. Our work offers important insights into intricate transport mechanisms playing a role at nanoscale. | ||||
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| Language | Wos | 000918423100001 | Publication Date | 2022-07-12 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2041-1723 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 16.6 | Times cited | 21 | Open Access | OpenAccess |
| Notes | Approved | Most recent IF: 16.6 | |||
| Call Number | UA @ admin @ c:irua:194402 | Serial | 7308 | ||
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Zhang, Z.; Chen, X.; Shi, X.; Hu, Y.; Huang, J.; Liu, S.; Ren, Z.; Huang, H.; Han, G.; Van Tendeloo, G.; Tian, H. | ||||
| Title | Morphotropic phase boundary in pure perovskite lead titanate at room temperature | Type | A1 Journal article | ||
| Year | 2022 | Publication | Materials Today Nano | Abbreviated Journal | |
| Volume | 20 | Issue | Pages | 100275-5 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | For many decades, great efforts have been devoted to pursue a large piezoelectric response by an intelligent design of morphotropic phase boundaries (MPB) in solid solutions, where tetragonal (T) and rhombohedral (R) structures coexist. For example, classical PbZrxTi1-xO3 and Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals demonstrate a giant piezoelectric response near MPB. However, as the end member of these solids, perovskite-structured PbTiO3 always adopts the T phase at room temperature. Here, we report a pathway to create room temperature MPB in a single-phase PbTiO3. The uniaxial stress along the c-axis drives a T-R phase transition bridged by a monoclinic (M) phase, which facilitates a polarization rotation in the monodomain PbTiO3. Meanwhile, we demonstrate that the coexistence of T and R phases at room temperature can be achieved via an extremely mismatched heterointerface system. The uniaxial pressure is proved as an efficient way to break the inherent symmetry and able to substantially tailor the phase transition temperature Tc. These findings provide new insights into MPB, offering the opportunity to explore the giant piezoelectric response in single-phase materials. (c) 2022 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000906548600002 | Publication Date | 2022-10-18 | |
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| ISSN | 2588-8420 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 10.3 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 10.3 | |||
| Call Number | UA @ admin @ c:irua:193477 | Serial | 7324 | ||
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| Author |
Zhang, Y.; Sahoo, P.K.; Ren, P.; Qin, Y.; Cauwenbergh, R.; Nimmegeers, P.; Gandhi, S.R.; Van Passel, S.; Guidetti, A.; Das, S. | ||||
| Title | Transition metal-free approach for the late-stage benzylic C(sp3)-H etherifications and esterifications | Type | A1 Journal article | ||
| Year | 2022 | Publication | Chemical Communications | Abbreviated Journal | Chem Commun |
| Volume | 58 | Issue | 81 | Pages | 11454-11457 |
| Keywords | A1 Journal article; Engineering Management (ENM); Organic synthesis (ORSY); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) | ||||
| Abstract | Herein, we report a transition metal-free approach for the regioselective functionalisation of benzylic C(sp3)-H bonds using alcohols and carboxylic acids as the nucleophiles. This approach provides a straightforward route for the synthesis of various benzylic ethers and esters to provide a wide generality of this system. Expediently, twelve pharmaceutically relevant compounds have been synthesized using this strategy. | ||||
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| Language | Wos | 000857171200001 | Publication Date | 2022-09-05 | |
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| ISSN | 1359-7345; 1364-548x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.9 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 4.9 | |||
| Call Number | UA @ admin @ c:irua:190191 | Serial | 7372 | ||
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Zhang, Y.; Qin, S.; Claes, N.; Schilling, W.; Sahoo, P.K.; Ching, H.Y.V.; Jaworski, A.; Lemière, F.; Slabon, A.; Van Doorslaer, S.; Bals, S.; Das, S. | ||||
| Title | Direct Solar Energy-Mediated Synthesis of Tertiary Benzylic Alcohols Using a Metal-Free Heterogeneous Photocatalyst | Type | A1 Journal article | ||
| Year | 2022 | Publication | ACS Sustainable Chemistry and Engineering | Abbreviated Journal | Acs Sustain Chem Eng |
| Volume | 10 | Issue | 1 | Pages | 530-540 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Organic synthesis (ORSY) | ||||
| Abstract | Direct hydroxylation via the functionalization of tertiary benzylic C(sp3)-H bond is of great significance for obtaining tertiary alcohols which find wide applications in pharmaceuticals as well as in fine chemical industries. However, current synthetic procedures use toxic reagents and therefore, the development of a sustainable strategy for the synthesis of tertiary benzyl alcohols is highly desirable. To solve this problem, herein, we report a metal-free heterogeneous photocatalyst to synthesize the hydroxylated products using oxygen as the key reagent. Various benzylic substrates were employed into our mild reaction conditions to afford the desirable products in good to excellent yields. More importantly, gram-scale reaction was achieved via harvesting direct solar energy and exhibited high quantity of the product. The high stability of the catalyst was proved via recycling the catalyst and spectroscopic analyses. Finally, a possible mechanism was proposed based on the EPR and other experimental evidence. |
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| Language | Wos | 000736518000001 | Publication Date | 2022-01-10 | |
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| ISSN | 2168-0485 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.4 | Times cited | 24 | Open Access | OpenAccess |
| Notes | We thank BOF joint PhD grant (to Y. Z.), Francqui Foundation and FWO research grant (to S.D.), Chinese Scholarship Council (to Y.Z.). A.S. would like to thank the Swedish Energy Agency for financial support (project nr: 5050-1). The SEM microscope was partly funded by the Hercules Fund from the Flemish Government. | Approved | Most recent IF: 8.4 | ||
| Call Number | EMAT @ emat @c:irua:184744 | Serial | 6900 | ||
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Zhang, L.; Heijkers, S.; Wang, W.; Martini, L.M.; Tosi, P.; Yang, D.; Fang, Z.; Bogaerts, A. | ||||
| Title | Dry reforming of methane in a nanosecond repetitively pulsed discharge: chemical kinetics modeling | Type | A1 Journal article | ||
| Year | 2022 | Publication | Plasma Sources Science & Technology | Abbreviated Journal | Plasma Sources Sci T |
| Volume | 31 | Issue | 5 | Pages | 055014 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Nanosecond pulsed discharge plasma shows a high degree of non-equilibrium, and exhibits relatively high conversions in the dry reforming of methane. To further improve the application, a good insight of the underlying mechanisms is desired. We developed a chemical kinetics model to explore the underlying plasma chemistry in nanosecond pulsed discharge. We compared the calculated conversions and product selectivities with experimental results, and found reasonable agreement in a wide range of specific energy input. Hence, the chemical kinetics model is able to provide insight in the underlying plasma chemistry. The modeling results predict that the most important dissociation reaction of CO<sub>2</sub>and CH<sub>4</sub>is electron impact dissociation. C<sub>2</sub>H<sub>2</sub>is the most abundant hydrocarbon product, and it is mainly formed upon reaction of two CH<sub>2</sub>radicals. Furthermore, the vibrational excitation levels of CO<sub>2</sub>contribute for 85% to the total dissociation of CO<sub>2</sub>. | ||||
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| Language | Wos | 000797660000001 | Publication Date | 2022-05-01 | |
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| ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.8 | Times cited | Open Access | OpenAccess | |
| Notes | China Scholarship Council; National Natural Science Foundation of China, 11965018 ; This work is supported by the National Natural Science Foundation of China (Grant Nos. 52077026, 11965018), L Zhang was also supported by the China Scholarship Council (CSC). Data availability statement The data that support the findings of this study are available upon reasonable request from the authors. | Approved | Most recent IF: 3.8 | ||
| Call Number | PLASMANT @ plasmant @c:irua:188537 | Serial | 7069 | ||
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Zhang, H.Y.; Xiao, Y.M.; N. Li, Q.; Ding, L.; Van Duppen, B.; Xu, W.; Peeters, F.M. | ||||
| Title | Anisotropic and tunable optical conductivity of a two-dimensional semi-Dirac system in the presence of elliptically polarized radiation | Type | A1 Journal article | ||
| Year | 2022 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 105 | Issue | 11 | Pages | 115423-115429 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We investigate the effect of ellipticity ratio of the polarized radiation field on optoelectronic properties of a two-dimensional (2D) semi-Dirac (SD) system. The optical conductivity is calculated within the energy balance equation approach derived from the semiclassical Boltzmann equation. We find that there exists the anisotropic optical absorption induced via both the intra-and interband electronic transition channels in the perpendicular xx and yy directions. Furthermore, we examine the effects of the ellipticity ratio, the temperature, the carrier density, and the band-gap parameter on the optical conductivity of the 2D SD system placed in transverse and vertical directions, respectively. It is shown that the ellipticity ratio, temperature, carrier density, and band-gap parameter can play the important roles in tuning the strength, peak position, and shape of the optical conductivity spectrum. The results obtained from this study indicate that the 2D SD system can be a promising anisotropic and tunable optical and optoelectronic material for applications in innovative 2D optical and optoelectronic devices, which are active in the infrared and terahertz bandwidths. | ||||
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| Language | Wos | 000802810700002 | Publication Date | 2022-03-22 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | 3 | Open Access | OpenAccess |
| Notes | Approved | Most recent IF: 3.7 | |||
| Call Number | UA @ admin @ c:irua:188660 | Serial | 7125 | ||
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Zhang, H.; Pryds, N.; Park, D.-S.; Gauquelin, N.; Santucci, S.; Christensen, D., V.; Jannis, D.; Chezganov, D.; Rata, D.A.; Insinga, A.R.; Castelli, I.E.; Verbeeck, J.; Lubomirsky, I.; Muralt, P.; Damjanovic, D.; Esposito, V. | ||||
| Title | Atomically engineered interfaces yield extraordinary electrostriction | Type | A1 Journal article | ||
| Year | 2022 | Publication | Nature | Abbreviated Journal | |
| Volume | 609 | Issue | 7928 | Pages | 695-700 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Electrostriction is a property of dielectric materials whereby an applied electric field induces a mechanical deformation proportional to the square of that field. The magnitude of the effect is usually minuscule (<10(-19) m(2) V-2 for simple oxides). However, symmetry-breaking phenomena at the interfaces can offer an efficient strategy for the design of new properties(1,2). Here we report an engineered electrostrictive effect via the epitaxial deposition of alternating layers of Gd2O3-doped CeO2 and Er2O3-stabilized delta-Bi2O3 with atomically controlled interfaces on NdGaO3 substrates. The value of the electrostriction coefficient achieved is 2.38 x 10(-14) m(2) V-2, exceeding the best known relaxor ferroelectrics by three orders of magnitude. Our theoretical calculations indicate that this greatly enhanced electrostriction arises from coherent strain imparted by interfacial lattice discontinuity. These artificial heterostructures open a new avenue for the design and manipulation of electrostrictive materials and devices for nano/micro actuation and cutting-edge sensors. | ||||
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| Language | Wos | 000859073900001 | Publication Date | 2022-09-21 | |
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| ISSN | 1476-4687 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 12 | Open Access | OpenAccess | |
| Notes | This research was supported by the BioWings project, funded by the European Union’s Horizon 2020, Future and Emerging Technologies programme (grant no. 801267), and by the Danish Council for Independent Research Technology and Production Sciences for the DFF—Research Project 2 (grant no. 48293). N.P. and D.V.C. acknowledge funding from Villum Fonden for the NEED project (no. 00027993) and from the Danish Council for Independent Research Technology and Production Sciences for the DFF—Research Project 3 (grant no. 00069 B). V.E. acknowledges funding from Villum Fonden for the IRIDE project (no. 00022862). N.G. and J.V. acknowledge funding from the GOA project ('Solarpaint') of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. D.J. acknowledges funding from the FWO Project (no. G093417N) from the Flemish Fund for Scientific Research. D.C. acknowledges TOP/BOF funding from the University of Antwerp. This project has received funding from the European Union’s Horizon 2020 Research Infrastructure—Integrating Activities for Advanced Communities—under grant agreement no. 823717-ESTEEM3. We thank T. D. Pomar and A. J. Bergne for English proofreading.; esteem3reported; esteem3TA | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:190576 | Serial | 7129 | ||
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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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| Language | Wos | 000868885200001 | Publication Date | 2022-09-20 | |
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| 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 |
Yusupov, M.; Dewaele, D.; Attri, P.; Khalilov, U.; Sobott, F.; Bogaerts, A. | ||||
| Title | Molecular understanding of the possible mechanisms of oligosaccharide oxidation by cold plasma | Type | A1 Journal article | ||
| Year | 2022 | Publication | Plasma processes and polymers | Abbreviated Journal | Plasma Process Polym |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Cold atmospheric plasma (CAP) is a promising technology for several medical applications, including the removal of biofilms from surfaces. However, the molecular mechanisms of CAP treatment are still poorly understood. Here we unravel the possible mechanisms of CAP‐induced oxidation of oligosaccharides, employing reactive molecular dynamics simulations based on the density functional‐tight binding potential. Specifically, we find that the interaction of oxygen atoms (used as CAP‐generated reactive species) with cellotriose (a model system for the oligosaccharides) can break structurally important glycosidic bonds, which subsequently leads to the disruption of the oligosaccharide molecule. The overall results help to shed light on our experimental evidence for cellotriose CAP. This oxidation by study provides atomic‐level insight into the onset of plasma‐induced removal of biofilms, as oligosaccharides are one of the main components of biofilm. | ||||
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| Language | Wos | 000865844800001 | Publication Date | 2022-10-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1612-8850 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.5 | Times cited | Open Access | OpenAccess | |
| Notes | Fonds Wetenschappelijk Onderzoek, 1200219N ; They also acknowledge the Turing HPC infrastructure at the CalcUA core facility of the University of Antwerp (UA), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the UA, where all computational work was performed. This study was financially supported by the Research Foundation–Flanders (FWO) (grant number 1200219N). | Approved | Most recent IF: 3.5 | ||
| Call Number | PLASMANT @ plasmant @c:irua:191404 | Serial | 7113 | ||
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| Author |
Yu, Y.; Xie, X.; Liu, X.; Li, J.; Peeters, F.M.; Li, L. | ||||
| Title | Two-dimensional semimetal states in transition metal trichlorides : a first-principles study | Type | A1 Journal article | ||
| Year | 2022 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 121 | Issue | 11 | Pages | 112405-112407 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The two-dimensional (2D) transition metal trihalide (TMX3, X = Cl, Br, I) family has attracted considerable attention in recent years due to the realization of CrCl3, CrBr3, and CrI3 monolayers. Up to now, the main focus of the theoretically predicted TMX3 monolayers has been on the Chern insulator states, which can realize the quantum anomalous Hall effect. Here, using first-principles calculations, we theoretically demonstrate that the stable OsCl3 monolayer has a ferromagnetic ground state and a spin-polarized Dirac point without spin-orbit coupling (SOC), which disappears in the band structure of a Janus OsBr1.5Cl1.5 monolayer. We find that OsCl3 exhibits in-plane magnetization when SOC is included. By manipulating the magnetization direction along the C-2 symmetry axis of the OsCl3 structure, a gapless half-Dirac semimetal state with SOC can be achieved, which is different from the gapped Chern insulator state. Both semimetal states of OsCl3 monolayer without and with SOC exhibit a linear half-Dirac point (twofold degenerate) with high Fermi velocities. The achievement of the 2D semimetal state with SOC is expected to be found in other TMX3 monolayers, and we confirm it in a TiCl3 monolayer. This provides a different perspective to study the band structure with SOC of the 2D TMX3 family. | ||||
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| Language | Wos | 000863219400003 | Publication Date | 2022-09-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 4 | Times cited | 4 | Open Access | OpenAccess |
| Notes | Approved | Most recent IF: 4 | |||
| Call Number | UA @ admin @ c:irua:191541 | Serial | 7223 | ||
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| Author |
Yu, Y.; Chen, X.; Liu, X.; Li, J.; Sanyal, B.; Kong, X.; Peeters, F.M.; Li, L. | ||||
| Title | Ferromagnetism with in-plane magnetization, Dirac spin-gapless semiconducting properties, and tunable topological states in two-dimensional rare-earth metal dinitrides | Type | A1 Journal article | ||
| Year | 2022 | Publication | Physical review B | Abbreviated Journal | Phys Rev B |
| Volume | 105 | Issue | 2 | Pages | 024407 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Since the successful synthesis of bulk single crystals MoN2 and ReN2, which have a layered structure, transition-metal dinitrides have attracted considerable attention in recent years. Here, we focus on rare-earth metal (Rem) elements, and propose seven stable Rem dinitride monolayers with a 1T structure, namely, 1T-RemN2. We use first-principles calculations, and find that these monolayers have a ferromagnetic ground state with in-plane magnetization. Without spin-orbit coupling (SOC), the band structures are spin-polarized with Dirac points at the Fermi level. Remarkably, the 1T-LuN2 monolayer exhibits an isotropic magnetocrystalline anisotropy energy in the xy plane with in-plane magnetization, indicating easy tunability of the magnetization direction. When rotating the magnetization vector in the xy plane, we propose a model that accurately describes the variation of the SOC band gap and the two possible topological states (Weyl-like semimetal and Chern insulator states) whose properties are tunable. The Weyl-like semimetal state is a critical point between the two Chern insulator states with opposite sign of the Chern numbers (+/- 1). The nontrivial band gap (up to 60.3 meV) and the Weyl-like semimetal state are promising for applications in spintronic devices. | ||||
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| Language | Wos | 000742384700001 | Publication Date | 2022-01-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | 13 | Open Access | Not_Open_Access: Available from 06.07.2202 |
| Notes | Approved | Most recent IF: 3.7 | |||
| Call Number | UA @ admin @ c:irua:186514 | Serial | 6991 | ||
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| 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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| 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 | ||
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| Author |
Ysebaert, T.; Samson, R.; Denys, S. | ||||
| Title | Parameterisation of the drag effect of climbers depending on wind speed and LAD | Type | A1 Journal article | ||
| Year | 2022 | Publication | Sustainable Cities and Society | Abbreviated Journal | Sustain Cities Soc |
| Volume | 84 | Issue | Pages | 103979-12 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The implementation of green walls is increasingly seen as a strategy to tackle urban air pollution and to make cities more climate resilient. The correct description of the vegetation-wind interaction is key in describing the effect of vegetation in computational fluid dynamics (CFD) models. The accuracy of the modelled wind flow is highly linked to the uncertainty about the drag coefficient (C-d). In addition, at low wind speeds viscous drag (K) is not negligible and it should be regarded in CFD models. This research aims to address the uncertainty related to C-d and K by including the effect of climbers on both the momentum and turbulence equations in the Wilcox revised k-omega model. The change of K with increasing Reynolds number showed an increase from 5.10(-8 )m(2) up to the dynamic viscosity of air (asymptotic to 10(-5) m(2)) following a logistic function. Beyond the transition region from viscous to form drag, C-d, in the range of 0.1-1.1, declined with increasing Reynolds number following a power law function. Furthermore, the plant morphological parameters determining permeability and drag coefficient were identified. This study showed that the knowledge of viscous and shape resistance is necessary to obtain accurate statistics for air flow through vegetation. | ||||
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| Language | Wos | 000831685500001 | Publication Date | 2022-06-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2210-6707 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 11.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 11.7 | |||
| Call Number | UA @ admin @ c:irua:189465 | Serial | 7187 | ||
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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 |
Ying, J.; Lenaerts, S.; Symes, M.D.; Yang, X.-Y. | ||||
| Title | Hierarchical design in nanoporous metals | Type | A1 Journal article | ||
| Year | 2022 | Publication | Advanced Science | Abbreviated Journal | Adv Sci |
| Volume | 9 | Issue | 27 | Pages | 2106117-2106120 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Hierarchically porous metals possess intriguing high accessibility of matter molecules and unique continuous metallic frameworks, as well as a high level of exposed active atoms. High rates of diffusion and fast energy transfer have been important and challenging goals of hierarchical design and porosity control with nanostructured metals. This review aims to summarize recent important progress toward the development of hierarchically porous metals, with special emphasis on synthetic strategies, hierarchical design in structure-function and corresponding applications. The current challenges and future prospects in this field are also discussed. | ||||
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| Language | Wos | 000831201000001 | Publication Date | 2022-07-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2198-3844 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 15.1 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 15.1 | |||
| Call Number | UA @ admin @ c:irua:189646 | Serial | 7170 | ||
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| Author |
Yayak, Y.O.; Sozen, Y.; Tan, F.; Gungen, D.; Gao, Q.; Kang, J.; Yagmurcukardes, M.; Sahin, H. | ||||
| Title | First-principles investigation of structural, Raman and electronic characteristics of single layer Ge3N4 | Type | A1 Journal article | ||
| Year | 2022 | Publication | Applied surface science | Abbreviated Journal | Appl Surf Sci |
| Volume | 572 | Issue | Pages | 151361 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | By means of density functional theory-based first-principle calculations, the structural, vibrational and electronic properties of single-layer Ge3N4 are investigated. Structural optimizations and phonon band dispersions reveal that single-layer ultrathin form of Ge3N4 possesses a dynamically stable buckled structure with large hexagonal holes. Predicted Raman spectrum of single-layer Ge3N4 indicates that the buckled holey structure of the material exhibits distinctive vibrational features. Electronic band dispersion calculations indicate the indirect band gap semiconducting nature of single-layer Ge3N4. It is also proposed that single-layer Ge3N4 forms type-II vertical heterostructures with various planar and puckered 2D materials except for single-layer GeSe which gives rise to a type-I band alignment. Moreover, the electronic properties of single-layer Ge3N4 are investigated under applied external in-plane strain. It is shown that while the indirect gap behavior of Ge3N4 is unchanged by the applied strain, the energy band gap increases (decreases) with tensile (compressive) strain. | ||||
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| Language | Wos | 000723664000006 | Publication Date | 2021-10-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0169-4332 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.7 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 6.7 | |||
| Call Number | UA @ admin @ c:irua:184752 | Serial | 6993 | ||
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| Author |
Yao, Y.; Ugras, T.J.; Meyer, T.; Dykes, M.; Wang, D.; Arbe, A.; Bals, S.; Kahr, B.; Robinson, R.D. | ||||
| Title | Extracting pure circular dichroism from hierarchically structured CdS magic cluster films | Type | A1 Journal article | ||
| Year | 2022 | Publication | ACS nano | Abbreviated Journal | Acs Nano |
| Volume | 16 | Issue | 12 | Pages | 20457-20469 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Chiroptically active, hierarchically structured materials are difficult to accurately characterize due to linear anisotropic contributions (i.e., linear dichroism (LD) and linear birefringence (LB)) and parasitic ellipticities that produce artifactual circular dichroism (CD) signals, in addition to chiral analyte contributions ranging from molecular-scale clusters to micron-sized assemblies. Recently, we have shown that CdS magic-sized clusters (MSC) can self-assemble into ordered films that have a hierarchical structure spanning seven orders of length-scale. These films have a strong CD response, but the chiral origins are obfuscated by the hierarchical architecture and LDLB contributions. Here, we derive and demonstrate a method for extracting the “pure” CD signal (CD generated by structural dissymmetry) from hierarchical MSC films and identified the chiral origin. The theory behind the method is derived using Mueller matrix and Stokes vector conventions and verified experimentally before being applied to hierarchical MSC and nanoparticle films with varying macroscopic orderings. Each film's extracted “true CD” shares a bisignate profile aligned with the exciton peak, indicating the assemblies adopt a chiral arrangement and form an exciton coupled system. Interestingly, the linearly aligned MSC film possesses one of the highest g-factors (0.05) among semiconducting nanostructures reported. Additionally, we find that films with similar electronic transition dipole alignment can possess greatly different g-factors, indicating chirality change rather than anisotropy is the cause of the difference in the CD signal. The difference in g-factor is controllable via film evaporation geometry. This study provides a simple means to measure “true” CD and presents an example of experimentally understanding chiroptic interactions in hierarchical nanostructures. | ||||
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| Language | Wos | 000888219600001 | Publication Date | 2022-11-17 | |
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| 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 | Not_Open_Access |
| Notes | This work was supported in part by the National Science Foundation (NSF) under Award Nos. DMR-2003431 and CHE-2003586. This work made use of the Cornell Center for Materials Research Shared Facilities, which are supported through the NSF MRSEC program (DMR-1719875). This work is partly supported by Grant PID2021-123438NB-I00 (MCIN/AEI/10.13039/501100011033 and “ERDF vA way of making Europe”) and Grant IT1566-22 (Eusko Jaurlaritza). D.W. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in the Horizon 2020 program (Grant 894254 SuprAtom). S.B. acknowledges financial support from ERC Consolidator Grant No. 815128 REALNANO. B.K. acknowledges NSF award DMR-2003968. We would like to thank Dr. Mark August Pfeifer for help with circular dichroism measurements. Additionally, we would like to thank Professor Luis M. Liz-Marzan for invaluable discussions on chirality. | Approved | Most recent IF: 17.1 | ||
| Call Number | UA @ admin @ c:irua:192070 | Serial | 7305 | ||
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| Author |
Yao, W.; Niinemets, Ü.; Yao, W.; Gielis, J.; Schrader, J.; Yu, K.; Shi, P. | ||||
| Title | Comparison of two simplified versions of the Gielis equation for describing the shape of bamboo leaves | Type | A1 Journal article | ||
| Year | 2022 | Publication | Plants | Abbreviated Journal | |
| Volume | 11 | Issue | 22 | Pages | 3058-11 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Bamboo is an important component in subtropical and tropical forest communities. The plant has characteristic long lanceolate leaves with parallel venation. Prior studies have shown that the leaf shapes of this plant group can be well described by a simplified version (referred to as SGE-1) of the Gielis equation, a polar coordinate equation extended from the superellipse equation. SGE-1 with only two model parameters is less complex than the original Gielis equation with six parameters. Previous studies have seldom tested whether other simplified versions of the Gielis equation are superior to SGE-1 in fitting empirical leaf shape data. In the present study, we compared a three-parameter Gielis equation (referred to as SGE-2) with the two-parameter SGE-1 using the leaf boundary coordinate data of six bamboo species within the same genus that have representative long lanceolate leaves, with >300 leaves for each species. We sampled 2000 data points at approximately equidistant locations on the boundary of each leaf, and estimated the parameters for the two models. The root–mean–square error (RMSE) between the observed and predicted radii from the polar point to data points on the boundary of each leaf was used as a measure of the model goodness of fit, and the mean percent error between the RMSEs from fitting SGE-1 and SGE-2 was used to examine whether the introduction of an additional parameter in SGE-1 remarkably improves the model’s fitting. We found that the RMSE value of SGE-2 was always smaller than that of SGE-1. The mean percent errors among the two models ranged from 7.5% to 20% across the six species. These results indicate that SGE-2 is superior to SGE-1 and should be used in fitting leaf shapes. We argue that the results of the current study can be potentially extended to other lanceolate leaf shapes. | ||||
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| Language | Wos | 000887783400001 | Publication Date | 2022-11-14 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2223-7747 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | OpenAccess | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:191859 | Serial | 7289 | ||
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Yang, S.; Liu, Z.; An, H.; Arnouts, S.; de Ruiter, J.; Rollier, F.; Bals, S.; Altantzis, T.; Figueiredo, M.C.; Filot, I.A.W.; Hensen, E.J.M.; Weckhuysen, B.M.; van der Stam, W. | ||||
| Title | Near-unity electrochemical CO₂ to CO conversion over Sn-doped copper oxide nanoparticles | Type | A1 Journal article | ||
| Year | 2022 | Publication | ACS catalysis | Abbreviated Journal | Acs Catal |
| Volume | 12 | Issue | 24 | Pages | 15146-15156 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | Bimetallic electrocatalysts have emerged as a viable strategy to tune the electrocatalytic CO2 reduction reaction (eCO2RR) for the selective production of valuable base chemicals and fuels. However, obtaining high product selectivity and catalyst stability remain challenging, which hinders the practical application of eCO2RR. In this work, it was found that a small doping concentration of tin (Sn) in copper oxide (CuO) has profound influence on the catalytic performance, boosting the Faradaic efficiency (FE) up to 98% for carbon monoxide (CO) at -0.75 V versus RHE, with prolonged stable performance (FE > 90%) for up to 15 h. Through a combination of ex situ and in situ characterization techniques, the in situ activation and reaction mechanism of the electrocatalyst at work was elucidated. In situ Raman spectroscopy measurements revealed that the binding energy of the crucial adsorbed *CO intermediate was lowered through Sn doping, thereby favoring gaseous CO desorption. This observation was confirmed by density functional theory, which further indicated that hydrogen adsorption and subsequent hydrogen evolution were hampered on the Sn-doped electrocatalysts, resulting in boosted CO formation. It was found that the pristine electrocatalysts consisted of CuO nanoparticles decorated with SnO2 domains, as characterized by ex situ high-resolution scanning transmission electron microscopy and X-ray photoelectron spectroscopy measurements. These pristine nanoparticles were subsequently in situ converted into a catalytically active bimetallic Sn-doped Cu phase. Our work sheds light on the intimate relationship between the bimetallic structure and catalytic behavior, resulting in stable and selective oxide-derived Sn-doped Cu electrocatalysts. | ||||
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| Language | Wos | 000900052400001 | Publication Date | 2022-11-28 | |
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| Series Volume | Series Issue | Edition | |||
| ISSN | 2155-5435 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.9 | Times cited | 16 | Open Access | OpenAccess |
| Notes | B.M.W., S.Y., M.C.F., E.J.M.H., and W.v.d.S. acknowledge support from the Strategic UU-TU/e Alliance project ?Joint Centre for Chemergy Research?. S.B. acknowledges support from the European Research Council (ERC Consolidator grant #815128 REALNANO) . Z.L. acknowledges financial support of the China Scholarship Council and the Netherlands Organization for Scientific Research for access to computa-tional resources for carrying out the DFT calculations reported in this work. S.A. and T.A. acknowledge funding from theUniversity of Antwerp Research fund (BOF) . The authors also thank Dr. Jochem Wijten and Joris Janssens (Inorganic Chemistry and Catalysis, Utrecht University) for helpful technical support. Sander Deelen (Faculty of Science, Utrecht University) is acknowledged for the design of the in situ XRD cell. | Approved | Most recent IF: 12.9 | ||
| Call Number | UA @ admin @ c:irua:192742 | Serial | 7325 | ||
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Yang, S.; An, H.; Anastasiadou, D.; Xu, W.; Wu, L.; Wang, H.; de Ruiter, J.; Arnouts, S.; Figueiredo, M.C.; Bals, S.; Altantzis, T.; van der Stam, W.; Weckhuysen, B.M. | ||||
| Title | Waste-derived copper-lead electrocatalysts for CO₂ reduction | Type | A1 Journal article | ||
| Year | 2022 | Publication | ChemCatChem | Abbreviated Journal | Chemcatchem |
| Volume | 14 | Issue | 18 | Pages | e202200754-11 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT) | ||||
| Abstract | It remains a real challenge to control the selectivity of the electrocatalytic CO2 reduction (eCO(2)R) reaction to valuable chemicals and fuels. Most of the electrocatalysts are made of non-renewable metal resources, which hampers their large-scale implementation. Here, we report the preparation of bimetallic copper-lead (CuPb) electrocatalysts from industrial metallurgical waste. The metal ions were extracted from the metallurgical waste through simple chemical treatment with ammonium chloride, and CuxPby electrocatalysts with tunable compositions were fabricated through electrodeposition at varying cathodic potentials. X-ray spectroscopy techniques showed that the pristine electrocatalysts consist of Cu-0, Cu1+ and Pb2+ domains, and no evidence for alloy formation was found. We found a volcano-shape relationship between eCO(2)R selectivity toward two electron products, such as CO, and the elemental ratio of Cu and Pb. A maximum Faradaic efficiency towards CO was found for Cu9.00Pb1.00, which was four times higher than that of pure Cu, under the same electrocatalytic conditions. In situ Raman spectroscopy revealed that the optimal amount of Pb effectively improved the reducibility of the pristine Cu1+ and Pb2+ domains to metallic Cu and Pb, which boosted the selectivity towards CO by synergistic effects. This work provides a framework of thinking to design and tune the selectivity of bimetallic electrocatalysts for CO2 reduction through valorization of metallurgical waste. | ||||
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| Language | Wos | 000853941300001 | Publication Date | 2022-06-28 | |
| 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 | 7 | Open Access | OpenAccess |
| Notes | S.Y and B.M.W. acknowledge support from the EU Framework Programme for Research and Innovation Horizon 2020 (SOCRATES-721385; project website: http://etn-socrates.eu/). W.v.d.S., M.C.F. and B.M.W. acknowledge support from the Strategic UU-TU/e Alliance project 'Joint Centre for Chemergy Research'. S.B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S.A. and T.A. acknowledge funding from the University of Antwerp Research fund (BOF). The Beijing Synchrotron Radiation Facility (1W1B, BSRF) is acknowledged for the beamtime. We are grateful to Annelies van der Bok and Bas Salzmann (Condensed Matter and Interfaces, Utrecht University, UU) for the support with the ICP-OES measurements. The authors thank dr. Robin Geitenbeek, Nikos Nikolopoulos, Ioannis Nikolopoulos, Jochem Wijten and Joris Janssens (Inorganic Chemistry and Catalysis, UU) for helpful discussions and technical support. The authors also thank Yuang Piao (Materials Chemistry and Catalysis, UU) for the help in the preparation of the figures of the article. | Approved | Most recent IF: 4.5 | ||
| Call Number | UA @ admin @ c:irua:190703 | Serial | 7226 | ||
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| Author |
Yagmurcukardes, N.; Bayram, A.; Aydin, H.; Yagmurcukardes, M.; Acikbas, Y.; Peeters, F.M.; Celebi, C. | ||||
| Title | Anisotropic etching of CVD grown graphene for ammonia sensing | Type | A1 Journal article | ||
| Year | 2022 | Publication | IEEE sensors journal | Abbreviated Journal | Ieee Sens J |
| Volume | 22 | Issue | 5 | Pages | 3888-3895 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Bare chemical vapor deposition (CVD) grown graphene (GRP) was anisotropically etched with various etching parameters. The morphological and structural characterizations were carried out by optical microscopy and the vibrational properties substrates were obtained by Raman spectroscopy. The ammonia adsorption and desorption behavior of graphene-based sensors were recorded via quartz crystal microbalance (QCM) measurements at room temperature. The etched samples for ambient NH3 exhibited nearly 35% improvement and showed high resistance to humidity molecules when compared to bare graphene. Besides exhibiting promising sensitivity to NH3 molecules, the etched graphene-based sensors were less affected by humidity. The experimental results were collaborated by Density Functional Theory (DFT) calculations and it was shown that while water molecules fragmented into H and O, NH3 interacts weakly with EGPR2 sample which reveals the enhanced sensing ability of EGPR2. Apparently, it would be more suitable to use EGRP2 in sensing applications due to its sensitivity to NH3 molecules, its stability, and its resistance to H2O molecules in humid ambient. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000766276000010 | Publication Date | 2022-01-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-437x; 1558-1748 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 4.3 | Times cited | 4 | Open Access | Not_Open_Access |
| Notes | Approved | Most recent IF: 4.3 | |||
| Call Number | UA @ admin @ c:irua:187257 | Serial | 7126 | ||
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| Author |
Xie, Y.; Spiller, M.; Vlaeminck, S.E. | ||||
| Title | A bioreactor and nutrient balancing approach for the conversion of solid organic fertilizers to liquid nitrate-rich fertilizers : mineralization and nitrification performance complemented with economic aspects | Type | A1 Journal article | ||
| Year | 2022 | Publication | The science of the total environment | Abbreviated Journal | Sci Total Environ |
| Volume | 806 | Issue | Pages | 150415 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Due to the high water- and nutrient-use efficiency, hydroponic cultivation is increasingly vital in progressing to environment-friendly food production. To further alleviate the environmental impacts of synthetic fertilizer production, the use of recovered nutrients should be encouraged in horticulture and agriculture at large. Solid organic fertilizers can largely contribute to this, yet their physical and chemical nature impedes application in hydroponics. This study proposes a bioreactor for mineralization and nitrification followed by a supplementation step for limiting macronutrients to produce nitrate-based solutions from solid fertilizers, here based on a novel microbial fertilizer. Batch tests showed that aerobic conversions at 35 °C could realize a nitrate (NO₃−-N) production efficiency above 90% and a maximum rate of 59 mg N L−1 d−1. In the subsequent bioreactor test, nitrate production efficiencies were lower (44–51%), yet rates were higher (175–212 mg N L−1 d−1). Calcium and magnesium hydroxide were compared to control the bioreactor pH at 6.0 ± 0.2, while also providing macronutrients for plant production. A mass balance estimation to mimic the Hoagland nutrient solution showed that 92.7% of the NO₃−-N in the Ca(OH)₂ scenario could be organically sourced, while this was only 37.4% in the Mg(OH)₂ scenario. Besides, carbon dioxide (CO₂) generated in the bioreactor can be used for greenhouse carbon fertilization to save operational expenditure (OPEX). An estimation of the total OPEX showed that the production of a nutrient solution from solid organic fertilizers can be cost competitive compared to using commercially available liquid inorganic fertilizer solutions. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000707640400021 | Publication Date | 2021-09-20 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0048-9697 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.8 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 9.8 | |||
| Call Number | UA @ admin @ c:irua:181787 | Serial | 7132 | ||
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| Author |
Windels, S.; Diefenhardt, T.; Jain, N.; Marquez, C.; Bals, S.; Schlummer, M.; De Vos, D.E. | ||||
| Title | Catalytic upcycling of PVC waste-derived phthalate esters into safe, hydrogenated plasticizers | Type | A1 Journal article | ||
| Year | 2022 | Publication | Green chemistry : cutting-edge research for a greener sustainable future | Abbreviated Journal | Green Chem |
| Volume | 24 | Issue | 2 | Pages | 754-766 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Recycling of end-of-life polyvinyl chloride (PVC) calls for solutions to deal with the vast amounts of harmful phthalate plasticizers that have historically been incorporated in PVC. Here, we report on the upcycling of such waste-extracted phthalate esters into analogues of the much safer diisononyl 1,2-cyclohexanedicarboxylate plasticizer (DINCH), via a catalytic one-pot (trans)esterification-hydrogenation process. For most of the virgin phthalates, Ru/Al2O3 is a highly effective hydrogenation catalyst, yielding >99% ring-hydrogenated products under mild reaction conditions (0.1 mol% Ru, 80 degrees C, 50 bar H-2). However, applying this reaction to PVC-extracted phthalates proved problematic, (1) as benzyl phthalates are hydrogenolyzed to benzoic acids that inhibit the Ru-catalyst, and (2) because impurities in the plasticizer extract (PVC, sulfur) further retard the hydrogenation. These complications were solved by coupling the hydrogenation to an in situ (trans)esterification with a higher alcohol, and by pretreating the extract with an activated carbon adsorbent. In this way, a real phthalate extract obtained from post-consumer PVC waste was eventually completely (>99%) hydrogenated to phthalate-free, cycloaliphatic plasticizers. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000726865200001 | Publication Date | 2021-11-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1463-9262; 1463-9270 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 9.8 | Times cited | 8 | Open Access | Not_Open_Access |
| Notes | This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement no. 821366 (programma acronym: Circular Flooring). D. E. D. V. thanks FWO for project funding (SBO project S001819N Triple Cycle); N. J. and S. B. acknowledge the financial support from FWO and FNRS (EOS 30489208). Finally, the authors also thank S. Smolders for assistance with the TGA-MS experiments and D. Paredaens for his experimental contribution | Approved | Most recent IF: 9.8 | ||
| Call Number | UA @ admin @ c:irua:184746 | Serial | 6958 | ||
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| Author |
Watanabe, Y.; Hyeon-Deuk, K.; Yamamoto, T.; Yabuuchi, M.; Karakulina, O.M.; Noda, Y.; Kurihara, T.; Chang, I.-Y.; Higashi, M.; Tomita, O.; Tassel, C.; Kato, D.; Xia, J.; Goto, T.; Brown, C.M.; Shimoyama, Y.; Ogiwara, N.; Hadermann, J.; Abakumov, A.M.; Uchida, S.; Abe, R.; Kageyama, H. | ||||
| Title | Polyoxocationic antimony oxide cluster with acidic protons | Type | A1 Journal article | ||
| Year | 2022 | Publication | Science Advances | Abbreviated Journal | |
| Volume | 8 | Issue | 24 | Pages | eabm5379-8 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The success and continued expansion of research on metal-oxo clusters owe largely to their structural richness and wide range of functions. However, while most of them known to date are negatively charged polyoxometalates, there is only a handful of cationic ones, much less functional ones. Here, we show an all-inorganic hydroxyiodide [H(10.)7Sb(32.1)O(44)][H2.1Sb2.1I8O6][Sb0.76I6](2)center dot 25H(2)O (HSbOI), forming a face-centered cubic structure with cationic Sb32O44 clusters and two types of anionic clusters in its interstitial spaces. Although it is submicrometer in size, electron diffraction tomography of HSbOI allowed the construction of the initial structural model, followed by powder Rietveld refinement to reach the final structure. The cationic cluster is characterized by the presence of acidic protons on its surface due to substantial Sb3+ deficiencies, which enables HSbOI to serve as an excellent solid acid catalyst. These results open up a frontier for the exploration and functionalization of cationic metal-oxo clusters containing heavy main group elements. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000812533800008 | Publication Date | 2022-06-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2375-2548 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 13.6 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 13.6 | |||
| Call Number | UA @ admin @ c:irua:189689 | Serial | 7091 | ||
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| Author |
Wanten, B.; Maerivoet, S.; Vantomme, C.; Slaets, J.; Trenchev, G.; Bogaerts, A. | ||||
| Title | Dry reforming of methane in an atmospheric pressure glow discharge: Confining the plasma to expand the performance | Type | A1 Journal article | ||
| Year | 2022 | Publication | Journal Of Co2 Utilization | Abbreviated Journal | J Co2 Util |
| Volume | 56 | Issue | Pages | 101869 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We present a confined atmospheric pressure glow discharge plasma reactor, with very good performance towards dry reforming of methane, i.e., CO2 and CH4 conversion of 64 % and 94 %, respectively, at an energy cost of 3.5–4 eV/molecule (or 14–16 kJ/L). This excellent performance is among the best reported up to now for all types of plasma reactors in literature, and is due to the confinement of the plasma, which maximizes the fraction of gas passing through the active plasma region. The main product formed is syngas, with H2O and C2H2 as byproducts. We developed a quasi-1D chemical kinetics model, showing good agreement with the experimental results, which provides a thorough insight in the reaction pathways underlying the conversion of CO2 and CH4 and the formation of the different products. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000740230000002 | Publication Date | 2021-12-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2212-9820 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.7 | Times cited | Open Access | OpenAccess | |
| Notes | Vlaamse regering; European Research Council, 810182 ; Herculesstichting; European Research Council; Horizon 2020 Framework Programme; Universiteit Antwerpen; 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 810182 – SCOPE ERC Synergy project), and through long-term structural funding (Methusalem). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. Finally, we thank T. Kenis, J. Van den Hoek, and T. Breugelmans from the University of Antwerp, for per forming the liquid analysis. | Approved | Most recent IF: 7.7 | ||
| Call Number | PLASMANT @ plasmant @c:irua:185163 | Serial | 6899 | ||
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| Author |
Wang, Y.; Sztranyovszky, Z.; Zilli, A.; Albrecht, W.; Bals, S.; Borri, P.; Langbein, W. | ||||
| Title | Quantitatively linking morphology and optical response of individual silver nanohedra | Type | A1 Journal article | ||
| Year | 2022 | Publication | Nanoscale | Abbreviated Journal | Nanoscale |
| Volume | 14 | Issue | 30 | Pages | 11028-11037 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The optical response of metal nanoparticles is governed by plasmonic resonances, which are dictated by the particle morphology. A thorough understanding of the link between morphology and optical response requires quantitatively measuring optical and structural properties of the same particle. Here we present such a study, correlating electron tomography and optical micro-spectroscopy. The optical measurements determine the scattering and absorption cross-section spectra in absolute units, and electron tomography determines the 3D morphology. Numerical simulations of the spectra for the individual particle geometry, and the specific optical set-up used, allow for a quantitative comparison including the cross-section magnitude. Silver nanoparticles produced by photochemically driven colloidal synthesis, including decahedra, tetrahedra and bi-tetrahedra are investigated. A mismatch of measured and simulated spectra is found in some cases when assuming pure silver particles, which is explained by the presence of a few atomic layers of tarnish on the surface, not evident in electron tomography. The presented method tightens the link between particle morphology and optical response, supporting the predictive design of plasmonic nanomaterials. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000828704000001 | Publication Date | 2022-07-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2040-3364; 2040-3372 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.7 | Times cited | 1 | Open Access | OpenAccess |
| Notes | Z.S. acknowledges the UK Engineering and Physical Sciences Research Council (EPSRC) for his Ph.D. studentship award (grant EP/R513003/1). Y.W. acknowledges Iwan Moreels (University of Ghent) for training in nanoparticle synthesis. Y.W. acknowledges the Biotechnology and Biological Sciences Research Council (BBSRC) for his Ph.D. studentship award (grant BB/L015889/1). This work was supported by the UK EPSRC (grants EP/I005072/1 and EP/M028313/1), and by the European Commission (EUSMI E191000350). W.A. acknowledges an Individual Fellowship from the Marie Skodowska-Curie actions (MSCA) under the EU's Horizon 2020 program (Grant 797153, SOPMEN). We thank Lukas Payne and Iestyn Pope for contributions to the development of the hardware and software used for the optical measurements. | Approved | Most recent IF: 6.7 | ||
| Call Number | UA @ admin @ c:irua:189578 | Serial | 7092 | ||
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