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| Author | Khalilov, U.; Uljayev, U.; Mehmonov, K.; Nematollahi, P.; Yusupov, M.; Neyts, E.C.; Neyts, E.C. | ||||
| Title | Can endohedral transition metals enhance hydrogen storage in carbon nanotubes? | Type | A1 Journal article | ||
| Year | 2024 | Publication | International journal of hydrogen energy | Abbreviated Journal | |
| Volume | 55 | Issue | Pages | 640-610 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Modelling and Simulation in Chemistry (MOSAIC); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The safe and efficient use of hydrogen energy, which is in high demand worldwide today, requires efficient hydrogen storage. Despite significant advances in hydrogen storage using carbon-based nanomaterials, including carbon nanotubes (CNTs), efforts to substantially increase the storage capacity remain less effective. In this work, we demonstrate the effect of endohedral transition metal atoms on the hydrogen storage capacity of CNTs using reactive molecular dynamics simulations. We find that an increase in the volume fraction of endohedral nickel atoms leads to an increase in the concentration of physisorbed hydrogen molecules around single-walled CNTs (SWNTs) by approximately 1.6 times compared to pure SWNTs. The obtained results provide insight into the underlying mechanisms of how endohedral transition metal atoms enhance the hydrogen storage ability of SWNTs under nearly ambient conditions. | ||||
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| Language | Wos | 001142427400001 | Publication Date | 2023-11-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0360-3199 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.2 | Times cited | Open Access  |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 7.2; 2024 IF: 3.582 | |||
| Call Number | UA @ admin @ c:irua:202315 | Serial | 9006 | ||
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| Author | Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M. | ||||
| Title | Chlorinated phosphorene for energy application | Type | A1 Journal article | ||
| Year | 2024 | Publication | Computational materials science | Abbreviated Journal | |
| Volume | 231 | Issue | Pages | 112625-112628 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries. | ||||
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| Language | Wos | https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001110 | Publication Date | 2023-11-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0927-0256 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles | |
| Impact Factor | 3.3 | Times cited | 2 | Open Access |
Not_Open_Access |
| Notes | Approved | Most recent IF: 3.3; 2024 IF: 2.292 | |||
| Call Number | UA @ admin @ c:irua:202125 | Serial | 9008 | ||
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| Author | Liang, Z.; Batuk, M.; Orlandi, F.; Manuel, P.; Hadermann, J.; Hayward, M.A. | ||||
| Title | Disproportionation of Co2+ in the topochemically reduced oxide LaSrCoRuO₅ | Type | A1 Journal article | ||
| Year | 2024 | Publication | Angewandte Chemie: international edition in English | Abbreviated Journal | |
| Volume | 63 | Issue | 6 | Pages | e202313067-5 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Complex transition-metal oxides exhibit a wide variety of chemical and physical properties which are a strong function the local electronic states of the transition-metal centres, as determined by a combination of metal oxidation state and local coordination environment. Topochemical reduction of the double perovskite oxide, LaSrCoRuO6, using Zr, yields LaSrCoRuO5. This reduced phase contains an ordered array of apex-linked square-based pyramidal Ru3+O5, square-planar Co1+O4 and octahedral Co3+O6 units, consistent with the coordination-geometry driven disproportionation of Co2+. Coordination-geometry driven disproportionation of d(7) transition-metal cations (e.g. Rh2+, Pd3+, Pt3+) is common in complex oxides containing 4d and 5d metals. However, the weak ligand field experienced by a 3d transition-metal such as cobalt leads to the expectation that d(7+) Co2+ should be stable to disproportionation in oxide environments, so the presence of Co1+O4 and Co3+O6 units in LaSrCoRuO5 is surprising. Low-temperature measurements indicate LaSrCoRuO5 adopts a ferromagnetically ordered state below 120 K due to couplings between S=(1)/(2) Ru3+ and S=1 Co1+. | ||||
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| Language | Wos | 001136579700001 | Publication Date | 2023-12-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1433-7851; 0570-0833 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 16.6 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 16.6; 2024 IF: 11.994 | |||
| Call Number | UA @ admin @ c:irua:202801 | Serial | 9023 | ||
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| Author | Steijlen, A.S.M.; Parrilla, M.; Van Echelpoel, R.; De Wael, K. | ||||
| Title | Dual microfluidic sensor system for enriched electrochemical profiling and identification of illicit drugs on-site | Type | A1 Journal article | ||
| Year | 2024 | Publication | Analytical chemistry | Abbreviated Journal | |
| Volume | 96 | Issue | 1 | Pages | 590-598 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | Electrochemical sensors have emerged as a new analytical tool for illicit drug detection to facilitate ultrafast and accurate identification of suspicious compounds on-site. Drugs of abuse can be identified using their unique voltammetric fingerprint at a given pH. Today, the right buffer solution is manually selected based on drug appearance, and in some cases, a consecutive analysis in two different pH solutions is required. In this work, we present a disposable microfluidic multichannel sensor system that automatically records fingerprints in two pH solutions (e.g., pH 5 and pH 12). This system has two advantages. It will overcome the manual selection of a buffer solution at the right pH, decrease analysis time, and minimize the risk of human errors. Second, the combination of two fingerprints, the superfingerprint, contains more detailed information about the samples, which enhances the selectivity of the analytical technique. First, real-time pH measurements proved that the sample can be brought to the desired pH within a minute. Subsequently, an electrochemical study on the microfluidic platform with 1 mM illicit drug standards of MDMA, cocaine, heroin, and methamphetamine showed that the characteristic voltammetric fingerprints and peak potentials are reproducible, also in the presence of common cutting agents. Finally, the microfluidic concept was validated with real confiscated samples, showing promising results for the user-friendly identification of drugs of abuse. In short, this paper presents a successful proof-of-concept study of a multichannel microfluidic sensor system to enrich the fingerprints of illicit drugs at pH 5 and pH 12, thus providing a low-cost, portable, and rapid identification system of illicit drugs with minimal user intervention. | ||||
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| Language | Wos | 001139443500001 | Publication Date | 2023-12-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-2700; 5206-882x | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 7.4 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 7.4; 2024 IF: 6.32 | |||
| Call Number | UA @ admin @ c:irua:201877 | Serial | 9024 | ||
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| Author | Rabani, I.; Tahir, M.S.; Nisar, S.; Parrilla, M.; Truong, H.B.; Kim, M.; Seo, Y.-S. | ||||
| Title | Fabrication of larger surface area of ZIF8@ZIF67 reverse core-shell nanostructures for energy storage applications | Type | A1 Journal article | ||
| Year | 2024 | Publication | Electrochimica acta | Abbreviated Journal | |
| Volume | 475 | Issue | Pages | 143532-11 | |
| Keywords | A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | The construction of uniform nanostructure with larger surface area electrodes is a huge challenge for the highvalue added energy storage application. Herein, we demonstrates ZIF67@ZIF8 (core-shell) and ZIF8@ZIF67 (reverse core-shell) nanostructures using a low-cost wet chemical route and used them as supercapacitors. Pristine ZIF-67 and ZIF-8 was used as reference electrodes. Benefiting from the synergistic effect between the ZIF8 and ZIF67, the ZIF8@ZIF67 exhibited the outstanding electrochemical consequences owing to its larger surface area with uniform hexagonal morphology. As optimized ZIF8@ZIF67 nanostructure displayed the highcapacity of 1521 F/g at 1 A/g of current density in a three-electrode assembly in 1 M KOH electrolyte compared with other as-fabricated electrodes. In addition, the ZIF8@ZIF67 nanostructure employed into the symmetric supercapacitors (SSCs) with 1 M KOH electrolyte in two-electrode setup and it exhibited still superior output including capacity (249.8 F/g at 1 A/g), remarkable repeatability (87 % over 10,000 GCD cycles) along with high energy and power density (61.2 Wh/kg & 1260 W/kg). The present study uncovers the relationship between the larger surface area and electrocatalyst performance, supporting an effective approach to prepare favorable materials for enhanced capacity, extended lifespan, and energy density. | ||||
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| Language | Wos | 001134022100001 | Publication Date | 2023-12-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0013-4686 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 6.6 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 6.6; 2024 IF: 4.798 | |||
| Call Number | UA @ admin @ c:irua:202082 | Serial | 9036 | ||
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| Author | Rezaei, M.; Ghasemitarei, M.; Razzokov, J.; Yusupov, M.; Ghorbanalilu, M.; Ejtehadi, M.R. | ||||
| Title | In silico study of the impact of oxidation on pyruvate transmission across the hVDAC1 protein channel | Type | A1 Journal article | ||
| Year | 2024 | Publication | Archives of biochemistry and biophysics | Abbreviated Journal | |
| Volume | 751 | Issue | Pages | 109835-109837 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The overexpression of voltage dependent anion channels (VDACs), particularly VDAC1, in cancer cells compared to normal cells, plays a crucial role in cancer cell metabolism, apoptosis regulation, and energy homeostasis. In this study, we used molecular dynamics (MD) simulations to investigate the effect of a low level of VDAC1 oxidation (induced e.g., by cold atmospheric plasma (CAP)) on the pyruvate (Pyr) uptake by VDAC1. Inhibiting Pyr uptake through VDAC1 can suppress cancer cell proliferation. Our primary target was to study the translocation of Pyr across the native and oxidized forms of hVDAC1, the human VDAC1. Specifically, we employed MD simulations to analyze the hVDAC1 structure by modifying certain cysteine residues to cysteic acids and methionine residues to methionine sulfoxides, which allowed us to investigate the effect of oxidation. Our results showed that the free energy barrier for Pyr translocation through the native and oxidized channel was approximately 4.3 +/- 0.7 kJ mol-1 and 10.8 +/- 1.8 kJ mol-1, respectively. An increase in barrier results in a decrease in rate of Pyr permeation through the oxidized channel. Thus, our results indicate that low levels of CAP oxidation reduce Pyr translocation, resulting in decreased cancer cell proliferation. Therefore, low levels of oxidation are likely sufficient to treat cancer cells given the inhibition of Pyr uptake. | ||||
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| Language | Wos | 001127850500001 | Publication Date | 2023-11-23 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-9861; 1096-0384 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.9 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 3.9; 2024 IF: 3.165 | |||
| Call Number | UA @ admin @ c:irua:202185 | Serial | 9046 | ||
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| Author | Faust, V.; Vlaeminck, S.E.; Ganigué, R.; Udert, K.M. | ||||
| Title | Influence of pH on urine nitrification : community shifts of ammonia-oxidizing bacteria and inhibition of nitrite-oxidizing bacteria | Type | A1 Journal article | ||
| Year | 2024 | Publication | ACS ES&T engineering | Abbreviated Journal | |
| Volume | 4 | Issue | 2 | Pages | 342-353 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Urine nitrification is pH-sensitive due to limited alkalinity and high residual ammonium concentrations. This study aimed to investigate how the pH affects nitrogen conversion and the microbial community of urine nitrification with a pH-based feeding strategy. First, kinetic parameters for NH3, HNO2, and NO2– limitation and inhibition were determined for nitrifiers from a urine nitrification reactor. The turning point for ammonia-oxidizing bacteria (AOB), i.e., the substrate concentration at which a further increase would lead to a decrease in activity due to inhibitory effects, was at an NH3 concentration of 12 mg-N L–1, which was reached only at pH values above 7. The total nitrite turning point for nitrite-oxidizing bacteria (NOB) was pH-dependent, e.g., 18 mg-N L–1 at pH 6.3. Second, four years of data from two 120 L reactors were analyzed, showing that stable nitrification with low nitrite was most likely between pH 5.8 and 6.7. And third, six 12 L urine nitrification reactors were operated at total nitrogen concentrations of 1300 and 3600 mg-N L–1 and pH values between 2.5 and 8.5. At pH 6, the AOB Nitrosomonas europaea was found, and the NOB belonged to the genus Nitrobacter. At pH 7, nitrite accumulated, and Nitrosomonas halophila was the dominant AOB. NOB were inhibited by HNO2 accumulation. At pH 8.5, the AOB Nitrosomonas stercoris became dominant, and NH3 inhibited NOB. Without influent, the pH dropped to 2.5 due to the growth of the acid-tolerant AOB “Candidatus Nitrosacidococcus urinae”. In conclusion, pH is a decisive process control parameter for urine nitrification by influencing the selection and kinetics of nitrifiers. | ||||
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| Language | Wos | Publication Date | 2023-11-02 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record | ||
| Impact Factor | Times cited | Open Access |
Not_Open_Access | ||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:203306 | Serial | 9048 | ||
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| Author | Dong, H.M.; Liang, H.P.; Tao, Z.H.; Duan, Y.F.; Milošević, M.V.; Chang, K. | ||||
| Title | Interface thermal conductivities induced by van der Waals interactions | Type | A1 Journal article | ||
| Year | 2024 | Publication | Physical chemistry, chemical physics | Abbreviated Journal | |
| Volume | 26 | Issue | 5 | Pages | 4047-4051 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The interface heat transfer of two layers induced by van der Waals (vdW) contacts is theoretically investigated, based on first-principles calculations at low temperatures. The results suggest that out-of-plane acoustic phonons with low frequencies dominate the interface thermal transport due to the vdW interaction. The interface thermal conductivity is proportional to the cubic of temperature at very low temperatures, but becomes linearly proportional to temperature as temperature increases. We show that manipulating the strain alters vdW coupling, leading to increased interfacial thermal conductivity at the interface. Our findings provide valuable insights into the interface heat transport in vdW heterostructures and support further design and optimization of electronic and optoelectronic nanodevices based on vdW contacts. The heat transfer induced by van der Waals contacts is dominated by ZA phonons. The interface thermal conductivity is proportional to the cubic of temperature, but becomes linearly proportional to temperature as temperature increases. | ||||
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| Language | Wos | 001142323400001 | Publication Date | 2024-01-09 | |
| 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 | |
| Impact Factor | 3.3 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 3.3; 2024 IF: 4.123 | |||
| Call Number | UA @ admin @ c:irua:202795 | Serial | 9050 | ||
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| Author | Hugenschmidt, M.; Jannis, D.; Kadu, A.A.; Grünewald, L.; De Marchi, S.; Perez-Juste, J.; Verbeeck, J.; Van Aert, S.; Bals, S. | ||||
| Title | Low-dose 4D-STEM tomography for beam-sensitive nanocomposites | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS materials letters | Abbreviated Journal | |
| Volume | 6 | Issue | 1 | Pages | 165-173 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Electron tomography is essential for investigating the three-dimensional (3D) structure of nanomaterials. However, many of these materials, such as metal-organic frameworks (MOFs), are extremely sensitive to electron radiation, making it difficult to acquire a series of projection images for electron tomography without inducing electron-beam damage. Another significant challenge is the high contrast in high-angle annular dark field scanning transmission electron microscopy that can be expected for nanocomposites composed of a metal nanoparticle and an MOF. This strong contrast leads to so-called metal artifacts in the 3D reconstruction. To overcome these limitations, we here present low-dose electron tomography based on four-dimensional scanning transmission electron microscopy (4D-STEM) data sets, collected using an ultrafast and highly sensitive direct electron detector. As a proof of concept, we demonstrate the applicability of the method for an Au nanostar embedded in a ZIF-8 MOF, which is of great interest for applications in various fields, including drug delivery. | ||||
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| Language | Wos | 001141178500001 | Publication Date | 2023-12-11 | |
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| ISSN | 2639-4979 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access |
Not_Open_Access | ||
| Notes | This work was supported by the European Research Council (Grant 815128 REALNANO to S.B., Grant 770887 PICOMETRICS to S.V.A.). J.P.-J. and S.M. acknowledge financial support from the MCIN/AEI/10.13039/501100011033 (Grants No. PID2019-108954RB-I00) and EU Horizon 2020 research and innovation program under grant agreement no. 883390 (SERSing). J.V., S.B., S.V.A., and L.G. acknowledge funding from the Flemish government (iBOF-21-085 PERsist). | Approved | Most recent IF: NA | ||
| Call Number | UA @ admin @ c:irua:202771 | Serial | 9053 | ||
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| Author | Smith, G.J.; Diomede, P.; Gibson, A.R.; Doyle, S.J.; Guerra, V.; Kushner, M.J.; Gans, T.; Dedrick, J.P. | ||||
| Title | Low-pressure inductively coupled plasmas in hydrogen : impact of gas heating on the spatial distribution of atomic hydrogen and vibrationally excited states | Type | A1 Journal article | ||
| Year | 2024 | Publication | Plasma sources science and technology | Abbreviated Journal | |
| Volume | 33 | Issue | 2 | Pages | 025002-25020 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Non-equilibrium inductively coupled plasmas (ICPs) operating in hydrogen are of significant interest for applications including large-area materials processing. Increasing control of spatial gas heating, which drives the formation of neutral species density gradients and the rate of gas-temperature-dependent reactions, is critical. In this study, we use 2D fluid-kinetic simulations with the Hybrid Plasma Equipment Model to investigate the spatially resolved production of atomic hydrogen in a low-pressure planar ICP operating in pure hydrogen (10-20 Pa or 0.075-0.15 Torr, 300 W). The reaction set incorporates self-consistent calculation of the spatially resolved gas temperature and 14 vibrationally excited states. We find that the formation of neutral-gas density gradients, which result from spatially non-uniform electrical power deposition at constant pressure, can drive significant variations in the vibrational distribution function and density of atomic hydrogen when gas heating is spatially resolved. This highlights the significance of spatial gas heating on the production of reactive species in relatively high-power-density plasma processing sources. | ||||
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| Language | Wos | 001154851700001 | Publication Date | 2024-01-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0963-0252 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.8 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 3.8; 2024 IF: 3.302 | |||
| Call Number | UA @ admin @ c:irua:203866 | Serial | 9054 | ||
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| Author | Koirala, B.; Rasti, B.; Bnoulkacem, Z.; de Lima Ribeiro, A.; Madriz, Y.; Herrmann, E.; Gestels, A.; De Kerf, T.; Lorenz, S.; Fuchs, M.; Janssens, K.; Steenackers, G.; Gloaguen, R.; Scheunders, P. | ||||
| Title | A multisensor hyperspectral benchmark dataset for unmixing of intimate mixtures | Type | A1 Journal article | ||
| Year | 2024 | Publication | IEEE sensors journal | Abbreviated Journal | |
| Volume | 24 | Issue | 4 | Pages | 4694-4710 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Vision lab; Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
| Abstract | Optical hyperspectral cameras capture the spectral reflectance of materials. Since many materials behave as heterogeneous intimate mixtures with which each photon interacts differently, the relationship between spectral reflectance and material composition is very complex. Quantitative validation of spectral unmixing algorithms requires high-quality ground truth fractional abundance data, which are very difficult to obtain. In this work, we generated a comprehensive laboratory ground truth dataset of intimately mixed mineral powders. For this, five clay powders (Kaolin, Roof clay, Red clay, mixed clay, and Calcium hydroxide) were mixed homogeneously to prepare 325 samples of 60 binary, 150 ternary, 100 quaternary, and 15 quinary mixtures. Thirteen different hyperspectral sensors have been used to acquire the reflectance spectra of these mixtures in the visible, near, short, mid, and long-wavelength infrared regions (350-15385) nm. Overlaps in wavelength regions due to the operational ranges of each sensor and variations in acquisition conditions resulted in a large amount of spectral variability. Ground truth composition is given by construction, but to verify that the generated samples are sufficiently homogeneous, XRD and XRF elemental analysis is performed. We believe these data will be beneficial for validating advanced methods for nonlinear unmixing and material composition estimation, including studying spectral variability and training supervised unmixing approaches. The datasets can be downloaded from the following link: https://github.com/VisionlabHyperspectral/Multisensor_datasets. | ||||
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| Language | Wos | 001173599400063 | Publication Date | 2023-12-28 | |
| 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 | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 4.3; 2024 IF: 2.512 | |||
| Call Number | UA @ admin @ c:irua:203094 | Serial | 9059 | ||
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| Author | Johnson, G.; Yang, M.Y.; Liu, C.; Zhou, H.; Zuo, X.; Dickie, D.A.; Wang, S.; Gao, W.; Anaclet, B.; Perras, F.A.; Ma, F.; Zeng, C.; Wang, D.; Bals, S.; Dai, S.; Xu, Z.; Liu, G.; Goddard III, W.A.; Zhang, S. | ||||
| Title | Nanocluster superstructures assembled via surface ligand switching at high temperature | Type | A1 Journal article | ||
| Year | 2023 | Publication | Nature synthesis | Abbreviated Journal | |
| Volume | 2 | Issue | 9 | Pages | 828-837 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Superstructures with nanoscale building blocks, when coupled with precise control of the constituent units, open opportunities in rationally designing and manufacturing desired functional materials. Yet, synthetic strategies for the large-scale production of superstructures are scarce. We report a scalable and generalized approach to synthesizing superstructures assembled from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters alongside a detailed description of the self-assembly mechanism. Combining operando small-angle X-ray scattering, ex situ molecular and structural characterizations, and molecular dynamics simulations indicates that a high-temperature ligand-switching mechanism, from oleate to benzoate, governs the formation of the nanocluster assembly. The chemical tuning of surface ligands controls superstructure disassembly and reassembly, and furthermore, enables the synthesis of multicomponent superstructures. This synthetic approach, and the accurate mechanistic understanding, are promising for the preparation of superstructures for use in electronics, plasmonics, magnetics and catalysis. Synthesizing superstructures with precisely controlled nanoscale building blocks is challenging. Here the assembly of superstructures is reported from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters and their multicomponent combinations. A high-temperature ligand-switching mechanism controls the self-assembly. | ||||
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| Language | Wos | 001124824000001 | Publication Date | 2023-05-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | ||
| Impact Factor | Times cited | 2 | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:202180 | Serial | 9060 | ||
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| Author | Zhang, L.; Quinn, B.K.; Hui, C.; Lian, M.; Gielis, J.; Gao, J.; Shi, P. | ||||
| Title | New indices to balance α-diversity against tree size inequality | Type | A1 Journal article | ||
| Year | 2024 | Publication | Journal of forestry research | Abbreviated Journal | |
| Volume | 35 | Issue | 1 | Pages | 31-39 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | The number and composition of species in a community can be quantified with alpha-diversity indices, including species richness (R), Simpson's index (D), and the Shannon-Wiener index (HGREEK TONOS). In forest communities, there are large variations in tree size among species and individuals of the same species, which result in differences in ecological processes and ecosystem functions. However, tree size inequality (TSI) has been largely neglected in studies using the available diversity indices. The TSI in the diameter at breast height (DBH) data for each of 999 20 m x 20 m forest census quadrats was quantified using the Gini index (GI), a measure of the inequality of size distribution. The generalized performance equation was used to describe the rotated and right-shifted Lorenz curve of the cumulative proportion of DBH and the cumulative proportion of number of trees per quadrat. We also examined the relationships of alpha-diversity indices with the GI using correlation tests. The generalized performance equation effectively described the rotated and right-shifted Lorenz curve of DBH distributions, with most root-mean-square errors (990 out of 999 quadrats) being < 0.0030. There were significant positive correlations between each of three alpha-diversity indices (i.e., R, D, and H') and the GI. Nevertheless, the total abundance of trees in each quadrat did not significantly influence the GI. This means that the TSI increased with increasing species diversity. Thus, two new indices are proposed that can balance alpha-diversity against the extent of TSI in the community: (1 – GI) x D, and (1 – GI) x H'. These new indices were significantly correlated with the original D and HGREEK TONOS, and did not increase the extent of variation within each group of indices. This study presents a useful tool for quantifying both species diversity and the variation in tree sizes in forest communities, especially in the face of cumulative species loss under global climate change. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001131698000001 | Publication Date | 2023-12-28 | |
| 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 | |
| Impact Factor | 3 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 3; 2024 IF: 0.774 | |||
| Call Number | UA @ admin @ c:irua:201972 | Serial | 9061 | ||
| Permanent link to this record | |||||
| Author | Linek, J.; Wyszynski, M.; Müller, B.; Korinski, D.; Milošević, M.V.; Kleiner, R.; Koelle, D. | ||||
| Title | On the coupling of magnetic moments to superconducting quantum interference devices | Type | A1 Journal article | ||
| Year | 2024 | Publication | Superconductor science and technology | Abbreviated Journal | |
| Volume | 37 | Issue | 2 | Pages | 025010-25012 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We investigate the coupling factor phi( mu) that quantifies the magnetic flux phi per magnetic moment mu of a point-like magnetic dipole that couples to a superconducting quantum interference device (SQUID). Representing the dipole by a tiny current-carrying (Amperian) loop, the reciprocity of mutual inductances of SQUID and Amperian loop provides an elegant way of calculating phi(mu)(r,e(mu)) vs. position r and orientation e(mu) of the dipole anywhere in space from the magnetic field B-J(r) produced by a supercurrent circulating in the SQUID loop. We use numerical simulations based on London and Ginzburg-Landau theory to calculate phi (mu) from the supercurrent density distributions in various superconducting loop geometries. We treat the far-field regime ( r greater than or similar to a= inner size of the SQUID loop) with the dipole placed on (oriented along) the symmetry axis of circular or square shaped loops. We compare expressions for phi (mu) from simple filamentary loop models with simulation results for loops with finite width w (outer size A > alpha), thickness d and London penetration depth lambda(L )and show that for thin ( d << alpha ) and narrow (w < alpha) loops the introduction of an effective loop size a(eff) in the filamentary loop-model expressions results in good agreement with simulations. For a dipole placed right in the center of the loop, simulations provide an expression phi(mu)(a,A,d,lambda(L)) that covers a wide parameter range. In the near-field regime (dipole centered at small distance z above one SQUID arm) only coupling to a single strip representing the SQUID arm has to be considered. For this case, we compare simulations with an analytical expression derived for a homogeneous current density distribution, which yields excellent agreement for lambda(L)>w,d . Moreover, we analyze the improvement of phi(mu) provided by the introduction of a narrow constriction in the SQUID arm below the magnetic dipole. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001145725500001 | Publication Date | 2024-01-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0953-2048 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.6 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 3.6; 2024 IF: 2.878 | |||
| Call Number | UA @ admin @ c:irua:202759 | Serial | 9067 | ||
| Permanent link to this record | |||||
| Author | Kashiwar, A.; Arseenko, M.; Simar, A.; Idrissi, H. | ||||
| Title | On the role of microstructural defects on precipitation, damage, and healing behavior in a novel Al-0.5Mg2Si alloy | Type | A1 Journal article | ||
| Year | 2024 | Publication | Materials & design | Abbreviated Journal | |
| Volume | 239 | Issue | Pages | 112765-112769 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | A recently developed healable Al-Mg2Si designed by the programmed damage and repair (PDR) strategy is studied considering the role microstructural defects play on precipitation, damage, and healing. The alloy incorporates sacrificial Mg2Si particles that precipitate after friction stir processing (FSP). They act as damage localization sites and are healable based on the solid-state diffusion of Al-matrix. A combination of different transmission electron microscopy (TEM) imaging techniques enabled the visualization and quantification of various crystallographic defects and the spatial distribution of Mg2Si precipitates. Intragrain nucleation is found to be the dominant mechanism for precipitation during FSP whereas grain boundaries and subgrain boundaries mainly lead to coarsening of the precipitates. The statistical and spatial analyses of the damaged particles have shown particle fracture as the dominant damage mechanism which is strongly dependent on the size and aspect ratio of the particles whereas the damage was not found to depend on the location of the precipitates within the matrix. The damaged particles are associated with dislocations accumulated around them. The interplay of these dislocations is directly visualized during healing based on in situ TEM heating which revealed recovery in the matrix as an operative mechanism during the diffusion healing of the PDR alloy. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001194110200001 | Publication Date | 2024-02-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0264-1275; 1873-4197 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 8.4 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 8.4; 2024 IF: 4.364 | |||
| Call Number | UA @ admin @ c:irua:203298 | Serial | 9068 | ||
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| Author | Van Tendeloo, M.; Baptista, M.C.; Van Winckel, T.; Vlaeminck, S.E. | ||||
| Title | Recurrent multi-stressor floc treatments with sulphide and free ammonia enabled mainstream partial nitritation/anammox | Type | A1 Journal article | ||
| Year | 2024 | Publication | The science of the total environment | Abbreviated Journal | |
| Volume | 912 | Issue | Pages | 169449-12 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Selective suppression of nitrite-oxidising bacteria (NOB) over aerobic and anoxic ammonium-oxidising bacteria (AerAOB and AnAOB) remains a major challenge for mainstream partial nitritation/anammox implementation, a resource-efficient nitrogen removal pathway. A unique multi-stressor floc treatment was therefore designed and validated for the first time under lab-scale conditions while staying true to full-scale design principles. Two hybrid (suspended + biofilm growth) reactors were operated continuously at 20.2 ± 0.6 °C. Recurrent multi-stressor floc treatments were applied, consisting of a sulphide-spiked deoxygenated starvation followed by a free ammonia shock. A good microbial activity balance with high AnAOB (71 ± 21 mg N L−1 d−1) and low NOB (4 ± 17 % of AerAOB) activity was achieved by combining multiple operational strategies: recurrent multi-stressor floc treatments, hybrid sludge (flocs & biofilm), short floc age control, intermittent aeration, and residual ammonium control. The multi-stressor treatment was shown to be the most important control tool and should be continuously applied to maintain this balance. Excessive NOB growth on the biofilm was avoided despite only treating the flocs to safeguard the AnAOB activity on the biofilm. Additionally, no signs of NOB adaptation were observed over 142 days. Elevated effluent ammonium concentrations (25 ± 6 mg N L−1) limited the TN removal efficiency to 39 ± 9 %, complicating a future full-scale implementation. Operating at higher sludge concentrations or reducing the volumetric loading rate could overcome this issue. The obtained results ease the implementation of mainstream PN/A by providing and additional control tool to steer the microbial activity with the multi-stressor treatment, thus advancing the concept of energy neutrality in sewage treatment plants. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | Publication Date | 2023-12-18 | ||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0048-9697; 1879-1026 | ISBN | Additional Links | UA library record | |
| Impact Factor | 9.8 | Times cited | Open Access |
Not_Open_Access | |
| Notes | Approved | Most recent IF: 9.8; 2024 IF: 4.9 | |||
| Call Number | UA @ admin @ c:irua:202286 | Serial | 9083 | ||
| Permanent link to this record | |||||
| Author | Martinez, G.T.; van den Bos, K.H.W.; Alania, M.; Nellist, P.D.; Van Aert, S. | ||||
| Title | Thickness dependence of scattering cross-sections in quantitative scanning transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2018 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 187 | Issue | Pages | 84-92 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In quantitative scanning transmission electron microscopy (STEM), scattering cross-sections have been shown to be very sensitive to the number of atoms in a column and its composition. They correspond to the integrated intensity over the atomic column and they outperform other measures. As compared to atomic column peak intensities, which saturate at a given thickness, scattering cross-sections increase monotonically. A study of the electron wave propagation is presented to explain the sensitivity of the scattering cross-sections. Based on the multislice algorithm, we analyse the wave propagation inside the crystal and its link to the scattered signal for the different probe positions contained in the scattering cross-section for detector collection in the low-, middle- and high-angle regimes. The influence to the signal from scattering of neighbouring columns is also discussed. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000428131200011 | Publication Date | 2018-01-31 | |
| 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 | 2.843 | Times cited | 4 | Open Access |
Not_Open_Access: Available from 01.02.2020 |
| Notes | The authors acknowledge financial support from the Research Foundation Flanders (FWO, Belgium) through project fundings ( G.0374.13N , G.0369.15N , G.0368.15N and WO.010.16N ) and a PhD grant to K.H.W.v.d.B. The research leading to these results has received funding from the European Union 7th Framework Programme [ FP7 /2007-2013] under Grant agreement no. 312483 (ESTEEM2). The authors are grateful to A. Rosenauer for providing access to the StemSim software. | Approved | Most recent IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:149384 | Serial | 4809 | ||
| Permanent link to this record | |||||
| Author | Dabaghmanesh, S.; Neek-Amal, M.; Partoens, B.; Neyts, E.C. | ||||
| Title | The formation of Cr2O3 nanoclusters over graphene sheet and carbon nanotubes | Type | A1 Journal article | ||
| Year | 2017 | Publication | Chemical physics letters | Abbreviated Journal | Chem Phys Lett |
| Volume | 687 | Issue | Pages | 188-193 | |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | |||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000412453700030 | Publication Date | 2017-09-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0009-2614 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.815 | Times cited | 2 | Open Access |
Not_Open_Access: Available from 01.11.2019 |
| Notes | ; This work was supported by SIM vzw, Technologiepark 935, BE-9052 Zwijnaarde, Belgium, within the InterPoCo project of the H-INT-S horizontal program. The computational resources and services used in this work were provided by the Vlaams Supercomputer Centrum (VSC) and the HPC infrastructure of the University of Antwerp. ; | Approved | Most recent IF: 1.815 | ||
| Call Number | UA @ lucian @ c:irua:146646 | Serial | 4795 | ||
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| Author | Bal, K.M.; Cautereels, J.; Blockhuys, F. | ||||
| Title | Structures and spectroscopic properties of sulfur-nitrogen-pnictogen chains : R2P-N=S=N-PR2 and R2P-N=S=N-AsR2 | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of molecular structure | Abbreviated Journal | J Mol Struct |
| Volume | 1132 | Issue | Pages | 102-108 | |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | The conformational and configurational preferences of Me2PNSNPMe2 (3) and Me2PNSNAsMe2 (4) have been identified using quantum chemical calculations at the DFT/B3LYP/6-311+G* level of theory. An approach in which energetic, structural (geometries and bond orders), electronic (analysis of the electron density) and spectroscopic properties are combined leads to the conclusion that these sulfur-nitrogen-pnictogen chains share many of the properties of their chalcogen-nitrogen analogues but that the through-space intramolecular interactions favouring the Z,Z configuration are even weaker than in these latter compounds. The results of this analysis also lead to an unambiguous assignment of the variable-temperature 31P and 15N NMR spectra of these compounds and their structures both in solution and in the solid state. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | 000393254400015 | Publication Date | 2016-08-07 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0022-2860 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 1.753 | Times cited | Open Access |
Not_Open_Access: Available from 03.10.2019 | |
| Notes | Approved | Most recent IF: 1.753 | |||
| Call Number | UA @ lucian @ c:irua:145533 | Serial | 4726 | ||
| Permanent link to this record | |||||
| Author | Uytdenhouwen, Y.; Bal, Km.; Michielsen, I.; Neyts, Ec.; Meynen, V.; Cool, P.; Bogaerts, A. | ||||
| Title | How process parameters and packing materials tune chemical equilibrium and kinetics in plasma-based CO2 conversion | Type | A1 Journal article | ||
| Year | 2019 | Publication | Chemical engineering journal | Abbreviated Journal | Chem Eng J |
| Volume | 372 | Issue | Pages | 1253-1264 | |
| Keywords | A1 Journal article; Laboratory of adsorption and catalysis (LADCA); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Plasma (catalysis) reactors are increasingly being used for gas-based chemical conversions, providing an alternative method of energy delivery to the molecules. In this work we explore whether classical concepts such as equilibrium constants, (overall) rate coefficients, and catalysis exist under plasma conditions. We specifically investigate the existence of a so-called partial chemical equilibrium (PCE), and how process parameters and packing properties influence this equilibrium, as well as the overall apparent rate coefficient, for CO2 splitting in a DBD plasma reactor. The results show that a PCE can be reached, and that the position of the equilibrium, in combination with the rate coefficient, greatly depends on the reactor parameters and operating conditions (i.e., power, pressure, and gap size). A higher power, higher pressure, or smaller gap size enhance both the equilibrium constant and the rate coefficient, although they cannot be independently tuned. Inserting a packing material (non-porous SiO2 and ZrO2 spheres) in the reactor reveals interesting gap/material effects, where the type of material dictates the position of the equilibrium and the rate (inhibition) independently. As a result, no apparent synergistic effect or plasma-catalytic behaviour was observed for the non-porous packing materials studied in this reaction. Within the investigated parameters, equilibrium conversions were obtained between 23 and 71%, while the rate coefficient varied between 0.027 s−1 and 0.17 s−1. This method of analysis can provide a more fundamental insight in the overall reaction kinetics of (catalytic) plasma-based gas conversion, in order to be able to distinguish plasma effects from true catalytic enhancement. |
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000471670400116 | Publication Date | 2019-05-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1385-8947 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.216 | Times cited | 3 | Open Access |
Not_Open_Access: Available from 05.05.2021 |
| Notes | European Fund for Regional Development; FWOFWO, G.0254.14N ; University of Antwerp; FWO-FlandersFWO-Flanders, 11V8915N ; The authors acknowledge financial support from the European Fund for Regional Development through the cross-border collaborative Interreg V program Flanders-the Netherlands (project EnOp), the Fund for Scientific Research (FWO; Grant Number: G.0254.14N), a TOP-BOF project and an IOF-SBO (SynCO2Chem) project from the University of Antwerp. K. M. B. was funded as a PhD fellow (aspirant) of the FWOFlanders (Fund for Scientific Research-Flanders), Grant 11V8915N. | Approved | Most recent IF: 6.216 | ||
| Call Number | PLASMANT @ plasmant @UA @ admin @ c:irua:159979 | Serial | 5171 | ||
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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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| Publisher | Place of Publication | Editor | |||
| 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 | ||
| Permanent link to this record | |||||
| Author | Yang, C.; Batuk, M.; Jacquet, Q.; Rousse, G.; Yin, W.; Zhang, L.; Hadermann, J.; Abakumov, A.M.; Cibin, G.; Chadwick, A.; Tarascon, J.-M.; Grimaud, A. | ||||
| Title | Revealing pH-Dependent Activities and Surface Instabilities for Ni-Based Electrocatalysts during the Oxygen Evolution Reaction | Type | A1 Journal article | ||
| Year | 2018 | Publication | ACS energy letters | Abbreviated Journal | Acs Energy Lett |
| Volume | Issue | Pages | 2884-2890 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Multiple electrochemical processes are involved at the catalyst/ electrolyte interface during the oxygen evolution reaction (OER). With the purpose of elucidating the complexity of surface dynamics upon OER, we systematically studied two Ni-based crystalline oxides (LaNiO3−δ and La2Li0.5Ni0.5O4) and compared them with the state-of-the-art Ni−Fe (oxy)- hydroxide amorphous catalyst. Electrochemical measurements such as rotating ring disk electrode (RRDE) and electrochemical quartz microbalance microscopy (EQCM) coupled with a series of physical characterizations including transmission electron microscopy (TEM) and X-ray absorption spectroscopy (XAS) were conducted to unravel the exact pH effect on both the OER activity and the catalyst stability. We demonstrate that for Ni-based crystalline catalysts the rate for surface degradation depends on the pH and is greater than the rate for surface reconstruction. This behavior is unlike that for the amorphous Ni oxyhydroxide catalyst, which is found to be more stable and pH-independent. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000453805100005 | Publication Date | 2018-11-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2380-8195 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access |
Not_Open_Access: Available from 06.11.2019 | ||
| Notes | C.Y., J.-M.T., and A.G. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC GrantProject 670116-ARPEMA. A.G. acknowledges financial support from the ANR MIDWAY (Project ID ANR-17-CE05- 0008). We acknowledge Diamond Light Source for time awarded to the Energy Materials BAG on Beamline B18, under Proposal sp12559. | Approved | Most recent IF: NA | ||
| Call Number | EMAT @ emat @c:irua:155046 | Serial | 5067 | ||
| Permanent link to this record | |||||
| Author | Karakulina, O.M.; Demortière, A.; Dachraoui, W.; Abakumov, A.M.; Hadermann, J. | ||||
| Title | In Situ Electron Diffraction Tomography Using a Liquid-Electrochemical Transmission Electron Microscopy Cell for Crystal Structure Determination of Cathode Materials for Li-Ion batteries | Type | A1 Journal article | ||
| Year | 2018 | Publication | Nano letters | Abbreviated Journal | Nano Lett |
| Volume | 18 | Issue | 10 | Pages | 6286-6291 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | We demonstrate that changes in the unit cell structure of lithium battery cathode materials during electrochemical cycling in liquid electrolyte can be determined for particles of just a few hundred nanometers in size using in situ transmission electron microscopy (TEM). The atomic coordinates, site occupancies (including lithium occupancy), and cell parameters of the materials can all be reliably quantified. This was achieved using electron diffraction tomography (EDT) in a sealed electrochemical cell with conventional liquid electrolyte (LP30) and LiFePO4 crystals, which have a well-documented charged structure to use as reference. In situ EDT in a liquid environment cell provides a viable alternative to in situ X-ray and neutron diffraction experiments due to the more local character of TEM, allowing for single crystal diffraction data to be obtained from multiphased powder samples and from submicrometer- to nanometer-sized particles. EDT is the first in situ TEM technique to provide information at the unit cell level in the liquid environment of a commercial TEM electrochemical cell. Its application to a wide range of electrochemical experiments in liquid environment cells and diverse types of crystalline materials can be envisaged. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000447355400024 | Publication Date | 2018-10-10 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1530-6984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 12.712 | Times cited | 12 | Open Access |
Not_Open_Access: Available from 08.09.2019 |
| Notes | O.M. Karakulina, A.M. Abakumov and J. Hadermann acknowledge support from FWO under grant G040116N. A. Demortière wants to thank the French network on the electrochemical energy storage (RS2E), the Store-Ex Labex, for the financial support. Finally, the Fonds Européen de Développement Régional (FEDER), CNRS, Région Hauts-de-France, and Ministère de l’Education Nationale de l’Enseignement Supérieur et de la Recherche are acknowledged for funding. | Approved | Most recent IF: 12.712 | ||
| Call Number | EMAT @ emat @c:irua:154750 | Serial | 5063 | ||
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| Author | Rumyantseva, M.N.; Vladimirova, S.A.; Vorobyeva, N.A.; Giebelhaus, I.; Mathur, S.; Chizhov, A.S.; Khmelevsky, N.O.; Aksenenko, A.Y.; Kozlovsky, V.F.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Gaskov, A.M. | ||||
| Title | p -CoO x / n -SnO 2 nanostructures: New highly selective materials for H 2 S detection | Type | A1 Journal article | ||
| Year | 2017 | Publication | Sensors and actuators : B : chemical | Abbreviated Journal | Sensor Actuat B-Chem |
| Volume | Issue | Pages | |||
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nanostructures p-CoOx/n-SnO2 based on tin oxide nanowires have been prepared by two step CVD technique and characterized in detail by XRD, XRF, XPS, HAADF-STEM imaging and EDX-STEM mapping. Depending on the temperature of decomposition of cobalt complex during the second step of CVD synthesis of nanostructures cobalt oxide forms a coating and/or isolated nanoparticles on SnO2 nanowire surface. It was found that cobalt presents in +2 and +3 oxidation states. The measurements of gas sensor properties have been carried out during exposure to CO (14 ppm), NH3 (21 ppm), and H2S (2 ppm) in dry air. The opposite trends were observed in the effect of cobalt oxide on the SnO2 gas sensitivity when detecting CO or NH3 in comparison to H2S. The decrease of sensor signal toward CO and NH3 was attributed to high catalytic activity of Co3O4 in oxidation of these gases. Contrary, the significant increase of sensor signal in the presence of H2S was attributed to the formation of metallic cobalt sulfide and removal of the barrier between p-CoOx and n-SnO2. This effect provides an excellent selectivity of p-CoOx/n-SnO2 nanostructures in H2S detection. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000414151800068 | Publication Date | 2017-08-17 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0925-4005 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.401 | Times cited | 13 | Open Access |
Not_Open_Access: Available from 10.10.2019 |
| Notes | ERA-Net.Plus, 096 FONSENS ; | Approved | Most recent IF: 5.401 | ||
| Call Number | EMAT @ emat @c:irua:145926 | Serial | 4710 | ||
| Permanent link to this record | |||||
| Author | Vladimirova, S.A.; Rumyantseva, M.N.; Filatova, D.G.; Chizhov, A.S.; Khmelevsky, N.O.; Konstantinova, E.A.; Kozlovsky, V.F.; Marchevsky, A.V.; Karakulina, O.M.; Hadermann, J.; Gaskov, A.M. | ||||
| Title | Cobalt location in p-CoOxIn-SnO2 nanocomposites : correlation with gas sensor performances | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of alloys and compounds | Abbreviated Journal | J Alloy Compd |
| Volume | 721 | Issue | Pages | 249-260 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nanocomposites CoOx/SnO2 based on tin oxide powders with different crystallinity have been prepared by wet chemical synthesis and characterized in detail by ICP-MS, XPS, EPR, XRD, HAADF-STEM imaging and EDX-STEM mapping. It was shown that cobalt is distributed differently between the bulk and surface of SnO2 nanocrystals, which depends on the crystallinity of the SnO2 matrix. The measurements of gas sensor properties have been carried out during exposure to CO (10 ppm), and H2S (2 ppm) in dry air. The decrease of sensor signal toward CO was attributed to high catalytic activity of Co3O4 leading to oxidation of carbon monoxide entirely on the surface of catalyst particles. The formation of a p-CoOx/n-SnO2 heterojunction results in high sensitivity of nanocomposites in H2S detection. The conductance significantly changed in the presence of H2S, which was attributed to the formation of metallic cobalt sulfide and removal of the p – n junction. (C) 2017 Elsevier B.V. All rights reserved. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Amsterdam | Editor | ||
| Language | Wos | Publication Date | |||
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0925-8388 | ISBN | Additional Links | UA library record; ; WoS full record; WoS citing articles | |
| Impact Factor | 3.133 | Times cited | Open Access |
Not_Open_Access: Available from 10.10.2019 | |
| Notes | ; This work was supported by ERA-Net.Plus grant N 096 FON-SENS. EPR experiments were performed using the facilities of the Collective Use Center at the Moscow State University. ; | Approved | Most recent IF: 3.133 | ||
| Call Number | UA @ lucian @ c:irua:145142 | Serial | 4714 | ||
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| Author | Cautaerts, N.; Delville, R.; Stergar, E.; Schryvers, D.; Verwerft, M. | ||||
| Title | Characterization of (Ti,Mo,Cr)C nanoprecipitates in an austenitic stainless steel on the atomic scale | Type | A1 Journal article | ||
| Year | 2019 | Publication | Acta materialia | Abbreviated Journal | Acta Mater |
| Volume | 164 | Issue | Pages | 90-98 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Nanometer sized (Ti,Mo,Cr)C (MX-type) precipitates that grew in a 24% cold worked Ti-stabilized austenitic stainless steel (grade DIN 1.4970, member of the 15-15Ti austenitic stainless steels) after heat treatment were fully characterized with transmission electron microscopy (TEM), probe corrected high angle annular dark field scanning transmission electron microscopy (HR-HAADF STEM), and atom probe tomography (APT). The precipitates shared the cube-on-cube orientation with the matrix and were facetted on {111} planes, yielding octahedral and elongated octahedral shapes. The misfit dislocations were believed to have Burgers vectors a/6<112> which was verified by geometrical phase analysis (GPA) strain mapping of a matrix-precipitate interface. The dislocations were spaced five to seven atomic planes apart, on average slightly wider than expected for the lattice parameters of steel and TiC. Quantitative atom probe tomography analysis of the precipitates showed that precipitates were significantly enriched in Mo, Cr and V, and that they were hypostoichiometric with respect to C. These findings were consistent with a reduced lattice parameter. The precipitates were found primarily on Shockley partial dislocations originating from the original perfect dislocation network. These novel findings could contribute to the understanding of how TiC nanoprecipitates interact with point defects and matrix dislocations. This is essential for the application of these Ti-stabilized steels in high temperature environments or fast spectrum nuclear fission reactors. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000456902800008 | Publication Date | 2018-10-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6454 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.301 | Times cited | 2 | Open Access |
Not_Open_Access: Available from 12.10.2020 |
| Notes | This work was supported by ENGIE [contract number 2015-AC- 007 e BSUEZ6900]; the U.S. Department of Energy, Office of Nuclear Energy under DOE Idaho Operations Office Contract DE-AC07- 051D14517 as part of a Nuclear Science User Facilities experiment; and by the MYRRHA program in development at SCKCEN, Belgium. Special thanks to Dr. H. Mezerji and Dr. T. Altantzis for the work on the FEI Titan microscope.We also want to thank Ms. J. Burns for the help on the FIB and Dr. Y. Wu at CAES for conducting the APT measurements. | Approved | Most recent IF: 5.301 | ||
| Call Number | EMAT @ emat @c:irua:154873UA @ admin @ c:irua:154873 | Serial | 5060 | ||
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| Author | Marchetti, A.; Beltran, V.; Storme, P.; Nuyts, G.; Van Der Meeren, L.; Skirtach, A.; Otten, E.; Debulpaep, M.; Watteeuw, L.; De Wael, K. | ||||
| Title | All that glitters is not gold : unraveling the material secrets behind the preservation of historical brass | Type | A1 Journal article | ||
| Year | 2023 | Publication | Journal of cultural heritage | Abbreviated Journal | |
| Volume | 63 | Issue | Pages | 179-186 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Art; History; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | Brass is a relatively stable alloy but it tends to tarnish over time due to the interaction with the atmosphere. Thus, it is rare to observe centuries-old brass objects untouched by the passing of time. For this reason, the pristine appearance of hundreds of brass sequins in the Enclosed Gardens of Mechelen (reliquary altarpieces produced between 1530 and 1550) is remarkable. In this study, the chemical and metallographic characterization of such unexpectedly well-preserved objects is presented. The results revealed the reason for their stability to be a combination of high-quality materials (i.e. medium Zn content, low impurities) and optimal surface properties (i.e. high homogeneity, low roughness), indicating the high level of expertise of the craftsmen who produced them. Novel fundamental insights on the historical manufacturing method of metallic sequins were also obtained. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001058894000001 | Publication Date | 2023-08-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1296-2074 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.1 | Times cited | Open Access |
Not_Open_Access: Available from 15.08.2024 | |
| Notes | Approved | Most recent IF: 3.1; 2023 IF: 1.838 | |||
| Call Number | UA @ admin @ c:irua:198113 | Serial | 8830 | ||
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| Author | Xie, Y.; Van Tendeloo, M.; Zhu, W.; Peng, L.; Vlaeminck, S.E. | ||||
| Title | Autotrophic nitrogen polishing of secondary effluents : Alkaline pH and residual nitrate control S0-driven denitratation for downstream anammox treatment | Type | A1 Journal article | ||
| Year | 2023 | Publication | Journal of Water Process Engineering | Abbreviated Journal | |
| Volume | 56 | Issue | Pages | 104402-104409 | |
| Keywords | A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Energy-lean nitrogen removal technologies, such as partial nitritation/anammox, often encounter effluent issues due to elevated nitrate and ammonium levels. This study proposed a novel autotrophic polishing strategy coupling sulfur-driven denitratation with anammox. To explore the denitratation potential in obtaining stable and sufficient nitrite accumulation, the effects of pH, residual nitrate level, and biomass-specific nitrate loading rate (BSNLR) were investigated in an S0-packed bed reactor at low hydraulic retention time (i.e., 0.2 h). Implementing pH and residual nitrate control strategies would be easier in practice than BSNLR control to polish secondary effluent. Alkaline pH values could realize successful nitrite accumulation without residual nitrate, and further intensify the accumulation under increased residual nitrate levels. The nitrate level was positively correlated with the nitrite accumulation efficiency. At pH 8.5 and nitrate concentration of 1.0 ± 0.8 mg N L−1, sulfur-driven denitratation could successfully maintain nitrite accumulation of 6.4 ± 1.0 mg NO2−-N L−1, ideally for the downstream anammox in case of residual ammonium levels of around 5 mg N L−1. Since Thiobacillus members play a key role in managing nitrite accumulation, their abundance should be guaranteed in the practical application. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001103341400001 | Publication Date | 2023-10-18 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2214-7144 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 7 | Times cited | Open Access |
Not_Open_Access: Available from 18.04.2024 | |
| Notes | Approved | Most recent IF: 7; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:200036 | Serial | 8835 | ||
| Permanent link to this record | |||||
| Author | Verbeeck, J.; Béché, A.; Müller-Caspary, K.; Guzzinati, G.; Luong, M.A.; Den Hertog, M. | ||||
| Title | Demonstration of a 2 × 2 programmable phase plate for electrons | Type | A1 Journal article | ||
| Year | 2018 | Publication | Ultramicroscopy | Abbreviated Journal | Ultramicroscopy |
| Volume | 190 | Issue | Pages | 58-65 | |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | First results on the experimental realisation of a 2 × 2 programmable phase plate for electrons are presented. The design consists of an array of electrostatic elements that influence the phase of electron waves passing through 4 separately controllable aperture holes. This functionality is demonstrated in a conventional transmission electron microscope operating at 300 kV and results are in very close agreement with theoretical predictions. The dynamic creation of a set of electron probes with different phase symmetry is demonstrated, thereby bringing adaptive optics in TEM one step closer to reality. The limitations of the current design and how to overcome these in the future are discussed. Simulations show how further evolved versions of the current proof of concept might open new and exciting application prospects for beam shaping and aberration correction. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000432868800007 | Publication Date | 2018-04-18 | |
| 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 | 2.843 | Times cited | 73 | Open Access |
Not_Open_Access: Available from 19.04.2020 |
| Notes | J.V. and A.B. acknowledge funding from the Fund for Scientific Research Flanders FWO project G093417N and the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX and ERC proof of concept project DLV-789598 ADAPTEM. The Qu-Ant-EM microscope used in this work was partly funded by the Hercules fund from the Flemish Government. MdH acknowledges financial support from the ANRCOSMOS (ANR-12-JS10-0002). MdH and ML acknowledge funding from the Laboratoire d’excellence LANEF in Grenoble (ANR-10-LABX-51-01). | Approved | Most recent IF: 2.843 | ||
| Call Number | EMAT @ emat @c:irua:150459UA @ admin @ c:irua:150459 | Serial | 4920 | ||
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| Author | Parrilla, M.; Detamornrat, U.; Domínguez-Robles, J.; Tunca, S.; Donnelly, R.F.; De Wael, K. | ||||
| Title | Wearable microneedle-based array patches for continuous electrochemical monitoring and drug delivery : toward a closed-loop system for methotrexate treatment | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS sensors | Abbreviated Journal | |
| Volume | Issue | Pages | acssensors.3c01381-10 | ||
| Keywords | A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) | ||||
| Abstract | Wearable devices based on microneedle (MN) technology have recently emerged as tools for in situ transdermal sensing or delivery in interstitial fluid (ISF). Particularly, MN-based electrochemical sensors allow the continuous monitoring of analytes in a minimally invasive manner through ISF. Exogenous small molecules found in ISF such as therapeutic drugs are ideal candidates for MN sensors due to their correlation with blood levels and their relevance for the optimal management of personalized therapies. Herein, a hollow MN array patch is modified with conductive pastes and functionalized with cross-linked chitosan to develop an MN-based voltammetric sensor for continuous monitoring of methotrexate (MTX). Interestingly, the chitosan coating avoids biofouling while enabling the adsorption of MTX at the electrode’s surface for sensitive analysis. The MN sensor exhibits excellent analytical performance in vitro with protein-enriched artificial ISF and ex vivo under a Franz diffusion cell configuration. The MN sensor shows a linear range from 25 to 400 μM, which fits within the therapeutic range of high-dose MTX treatment for cancer patients and an excellent continuous operation for more than two days. Moreover, an iontophoretic hollow MN array patch is developed with the integration of both the anode and cathode in the single MN array patch. The ex vivo characterization demonstrates the transdermal on-demand drug delivery of MTX. Overall, the combination of both MN patches represents impactful progress in closed-loop systems for therapeutic drug management in disorders such as cancer, rheumatoid arthritis, or psoriasis. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 001109702900001 | Publication Date | 2023-10-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2379-3694 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 8.9 | Times cited | Open Access |
Not_Open_Access: Available from 19.04.2024 | |
| Notes | Approved | Most recent IF: 8.9; 2023 IF: NA | |||
| Call Number | UA @ admin @ c:irua:200074 | Serial | 8956 | ||
| Permanent link to this record | |||||