|
Records |
Links |
|
Author |
Peeters, H.; Raes, A.; Verbruggen, S.W. |
|
|
Title |
Plasmonic photocatalytic coatings with self-cleaning, antibacterial, air and water purifying properties tested according to ISO standards |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Journal of photochemistry and photobiology: A: chemistry |
Abbreviated Journal |
|
|
|
Volume |
451 |
Issue |
|
Pages |
115529-10 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology |
|
|
Abstract |
ISO 10678:2010, ISO 22197–1 and 2, ISO 27447:2019 and ISO 27448:2009 for the photocatalytic degradation of organic dyes (methylene blue), air pollution (NOx and acetaldehyde), bacteria (E. coli and S. aureus) and solid organic fouling (oleic acid) are performed on plasmon-embedded TiO2 thin films on Borofloat® glass, as well as the commercially available titania-based self-cleaning glass PilkingtonActivTM. These standardised protocols measure the performance for the four main applications of photocatalytic materials: water purification, air purification, antibacterial and self-cleaning activity, respectively. The standards are performed exactly as prescribed to measure the activity under UV irradiation, and also in a slightly adapted manner to measure the performance under simulated solar light or visible light. Performing experiments according to ISO standards, enables an objective comparison amongst samples tested here, as well as with results from literature. This is a major asset compared to the myriad of customised setups used in laboratories worldwide that hinder a fair comparison. We point at the importance of meticulously following the ISO instructions, as we have noticed that multiple published studies adopting the ISO standards too often deviate from these protocols, thereby nullifying the added value of standardized testing. Following the ISO tests to the letter, we have demonstrated the superior performance of a previously developed plasmonic titania coating with fully embedded gold-silver nanoparticles towards all four application areas. Furthermore, our empirical data strongly support the need for a nuanced understanding of standardized testing, to ensure accurate assessment of photocatalytic materials. An examination of the ISO standards used in this work reveals notable drawbacks, including concerns about the reliability of the methylene blue degradation protocol, the issues of HNO3 accumulation in the NOx removal test, and limitations in assessing antibacterial activity and water contact angles. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001188107100001 |
Publication Date |
2024-02-15 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1010-6030 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
4.3 |
Times cited |
|
Open Access |
Not_Open_Access |
|
|
Notes |
|
Approved |
Most recent IF: 4.3; 2024 IF: 2.625 |
|
|
Call Number |
UA @ admin @ c:irua:203203 |
Serial |
9075 |
|
Permanent link to this record |
|
|
|
|
Author |
Alvarado-Alvarado, A.A.; Smets, W.; Irga, P.; Denys, S. |
|
|
Title |
Engineering green wall botanical biofiltration to abate indoor volatile organic compounds : a review on mechanisms, phyllosphere bioaugmentation, and modeling |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Journal of hazardous materials |
Abbreviated Journal |
|
|
|
Volume |
465 |
Issue |
|
Pages |
133491-16 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
|
|
Abstract |
Indoor air pollution affects the global population, especially in developed countries where people spend around 90% of their time indoors. The recent pandemic exacerbated the exposure by relying on indoor spaces and a teleworking lifestyle. VOCs are a group of indoor air pollutants with harmful effects on human health at low concentrations. It is widespread that plants can remove indoor VOCs. To this day, research has combined principles of phytoremediation, biofiltration, and bioremediation into a holistic and sustainable technology called botanical biofiltration. Overall, it is sustained that its main advantage is the capacity to break down and biodegrade pollutants using low energy input. This differs from traditional systems that transfer VOCs to another phase. Furthermore, it offers additional benefits like decreased indoor air health costs, enhanced work productivity, and well-being. However, many disparities exist within the field regarding the role of plants, substrate, and phyllosphere bacteria. Yet their role has been theorized; its stability is poorly known for an engineering approach. Previous research has not addressed the bioaugmentation of the phyllosphere to increase the performance, which could boost the system. Moreover, most experiments have studied passive potted plant systems at a lab scale using small chambers, making it difficult to extrapolate findings into tangible parameters to engineer the technology. Active systems are believed to be more efficient yet require more maintenance and knowledge expertise; besides, the impact of the active flow on the long term is not fully understood. Besides, modeling the system has been oversimplified, limiting the understanding and optimization. This review sheds light on the field’s gains and gaps, like concepts, experiments, and modeling. We believe that embracing a multidisciplinary approach encompassing experiments, multiphysics modeling, microbial community analysis, and coworking with the indoor air sector will enable the optimization of the technology and facilitate its adoption. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
2024-01-11 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0304-3894 |
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
13.6 |
Times cited |
|
Open Access |
Not_Open_Access |
|
|
Notes |
|
Approved |
Most recent IF: 13.6; 2024 IF: 6.065 |
|
|
Call Number |
UA @ admin @ c:irua:202311 |
Serial |
9030 |
|
Permanent link to this record |
|
|
|
|
Author |
Xiao, H.; Wen, H.; Xu, W.; Cheng, Y.; Zhang, J.; Cheng, X.; Xiao, Y.; Ding, L.; Li, H.; He, B.; Peeters, F.M. |
|
|
Title |
Terahertz magneto-optical properties of Nitrogen-doped diamond |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Infrared physics and technology |
Abbreviated Journal |
|
|
|
Volume |
138 |
Issue |
|
Pages |
105237-105239 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Nitrogen-doped diamond (N-D) is one of the most important carbon-based electronic and optical materials. Here we study the terahertz (THz) magneto-optical (MO) properties of N-D grown by microwave plasma-enhanced chemical vapor deposition. The optical microscope, SEM, XRD, Raman spectrum, FTIR spectroscopy and XPS are used for the characterization of N-D samples. Applying THz time-domain spectroscopy (TDS), in combination with the polarization test and the presence of magnetic field in Faraday geometry, THz MO transmissions through N-D are measured from 0 to 8 T at 80 K. The complex right- and left-handed circular transmission coefficients and MO conductivities for N-D are obtained accordingly. Through fitting the experimental results with theoretical formulas of the dielectric constant and MO conductivities for an electron gas, we are able to determine magneto-optically the key electronic parameters of N-D, such as the static dielectric constant epsilon b, the electron density ne, the electronic relaxation time tau, the electronic localization factor alpha and, particularly, the effective electron mass m* obtained under non-resonant condition. The dependence of these parameters upon magnetic field is examined and analyzed. We find that the MO conductivities of N-D can be described rightly by the MO Drude-Smith formulas developed by us previously. It is shown that N-doping and the presence of the magnetic field can lead towards the larger epsilon b and heavier m* in diamond, while ne/tau/alpha in N-D decreases/increases/decreases with increasing magnetic field. The results obtained from this work are benefit to us in gaining an in-depth understanding of the electronic and optoelectronic properties of N-D. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001200173100001 |
Publication Date |
2024-02-15 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1350-4495 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
3.3 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 1.713 |
|
|
Call Number |
UA @ admin @ c:irua:205523 |
Serial |
9178 |
|
Permanent link to this record |
|
|
|
|
Author |
Zhou, S.; Zhang, C.; Xu, W.; Zhang, J.; Xiao, Y.; Ding, L.; Wen, H.; Cheng, X.; Hu, C.; Li, H.; Li, X.; Peeters, F.M. |
|
|
Title |
Observation of temperature induced phase transitions in TiO superconducting thin film via infrared measurement |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Infrared physics and technology |
Abbreviated Journal |
|
|
|
Volume |
137 |
Issue |
|
Pages |
105160-105169 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
In contrast to conventional polycrystalline titanium oxide (TiO), it was found recently that the superconducting transition temperature Tc can be significantly enhanced from about 2 K to 7.4 K in cubic TiO thin films grown epitaxially on alpha-Al2O3 substrates. This kind of TiO film is also expected to have distinctive optoelectronic properties, which are still not very clear up to now. Herein, by using infrared (IR) reflection measurement we investigate the temperature-dependent optoelectronic response of a cubic TiO thin film, in which temperature induced phase transitions are observed. The semiconductor-, metallic- and semiconductor-like electronic phases of this superconducting film are found in the temperature regimes from 10 to 110 K, 110 to 220 K and above 220 K, respectively. The results obtained optically are consistent with those measured by transport experiment. Furthermore, based on an improved reflection model developed here, we extract the complex optical conductivity of the cubic TiO thin film. We are able to approximately determine the characteristic parameters (e.g., effective electron mass, carrier density, scattering time, etc.) for different electronic phases by fitting the optical conductivity with the modified Lorentz formula. These results not only deepen our understanding of the fundamental physics for cubic TiO thin films but also may find applications in optoelectronic devices based on superconductors. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001170490200001 |
Publication Date |
2024-01-21 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1350-4495 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
3.3 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 1.713 |
|
|
Call Number |
UA @ admin @ c:irua:204853 |
Serial |
9162 |
|
Permanent link to this record |
|
|
|
|
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. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
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 |
|
Permanent link to this record |
|
|
|
|
Author |
Vasilakou, K.; Billen, P.; Van Passel, S.; Nimmegeers, P. |
|
|
Title |
A Pareto aggregation approach for environmental-economic multi-objective optimization applied on a second-generation bioethanol production model |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Energy conversion and management |
Abbreviated Journal |
|
|
|
Volume |
303 |
Issue |
|
Pages |
118184-11 |
|
|
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS) |
|
|
Abstract |
Multi-objective optimization is an important decision-making tool for energy processes, as multiple targets need to be achieved. These objectives are usually conflicting since a single solution cannot be optimal for all objectives, resulting in a set of Pareto-optimal solutions. Multiple indicators might be available to describe a sustainability objective, such as the environmental impact which is commonly evaluated by performing a life cycle assessment. In this study, Pareto aggregation is proposed as a method which employs a novel multi-objective optimization-based approach as an alternative to the classically used aggregation in life cycle assessment. This method identifies conflicting environmental indicators and performs an aggregation among those that require a trade-off. An environmental-economic optimization of a second-generation bioethanol plant is used to illustrate and evaluate the proposed method. Process parameters from a biochemical conversion pathway flowsheet simulation model are chosen as optimization variables. To reduce the computational time, surrogate models, based on artificial neural networks, are used. Out of the eighteen ReCiPe Midpoint environmental indicators, five were identified as conflicting, resulting in an aggregated environmental objective, which was then traded off with the economic objective function, chosen as the levelized cost of ethanol. Comparison with the widely used single-score EcoIndicator99 showed that the Pareto aggregation method can reduce most of the environmental indicators by up to 6.5%. This research provides an insight on non-redundant objective functions, aiming at reducing the dimensionality of multi-objective optimization problems, while taking into consideration decision-makers’ preferences. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001185718400001 |
Publication Date |
2024-02-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0196-8904; 1879-2227 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
10.4 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 10.4; 2024 IF: 5.589 |
|
|
Call Number |
UA @ admin @ c:irua:203046 |
Serial |
9216 |
|
Permanent link to this record |
|
|
|
|
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. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
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 |
|
Permanent link to this record |
|
|
|
|
Author |
Hassani, N.; Movafegh-Ghadirli, A.; Mahdavifar, Z.; Peeters, F.M.; Neek-Amal, M. |
|
|
Title |
Two new members of the covalent organic frameworks family : crystalline 2D-oxocarbon and 3D-borocarbon structures |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Computational materials science |
Abbreviated Journal |
|
|
|
Volume |
241 |
Issue |
|
Pages |
1-9 |
|
|
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
|
|
Abstract |
Oxocarbons, known for over two centuries, have recently revealed a long-awaited facet: two-dimensional crystalline structures. Employing an intelligent global optimization algorithm (IGOA) alongside densityfunctional calculations, we unearthed a quasi -flat oxocarbon (C 6 0 6 ), featuring an oxygen -decorated hole, and a novel 3D-borocarbon. Comparative analyses with recently synthesized isostructures, such as 2D -porous carbon nitride (C 6 N 6 ) and 2D -porous boroxine (B 6 0 6 ), highlight the unique attributes of these compounds. All structures share a common stoichiometry of X 6 Y 6 (which we call COF-66), where X = B, C, and Y = B, N, O (with X not equal Y), exhibiting a 2D -crystalline structure, except for borocarbon C 6 B 6 , which forms a 3D crystal. In our comprehensive study, we conducted a detailed exploration of the electronic structure of X 6 Y 6 compounds, scrutinizing their thermodynamic properties and systematically evaluating phonon stability criteria. With expansive surface areas, diverse pore sizes, biocompatibility, pi-conjugation, and distinctive photoelectric properties, these structures, belonging to the covalent organic framework (COF) family, present enticing prospects for fundamental research and hold potential for biosensing applications. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001215960700001 |
Publication Date |
2024-04-23 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0927-0256 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
3.3 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 2.292 |
|
|
Call Number |
UA @ admin @ c:irua:206005 |
Serial |
9179 |
|
Permanent link to this record |
|
|
|
|
Author |
Raes, A.; Minja, A.C.; Ag, K.R.; Verbruggen, S.W. |
|
|
Title |
Recent advances in metal-doped defective TiO₂ for photocatalytic CO₂ conversion |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Current Opinion in Chemical Engineering |
Abbreviated Journal |
|
|
|
Volume |
44 |
Issue |
|
Pages |
101013-11 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology |
|
|
Abstract |
Introducing defects in TiO2-based photocatalytic materials is a promising strategy for improving light-driven CO2 reduction. However, defects such as oxygen vacancies are generally unstable. As a solution and to further enhance the photocatalytic activity, metal doping has been applied. This mini review aims to summarize recent progress in this particular field. Herein, we have classified metal-doped architectures into three different categories: single metal doping, alloy- and co-doping, and doping of morphologically nanoengineered TiO2−x substrates. The direct relationship between specific metals and product selectivity remains complex, as selectivity can vary significantly among seemingly similar materials. However, numerous methods do show promise in fine-tuning selectivity towards either CO or CH4. In terms of photocatalytic turnover, remarkable yields have been reported in isolated reports, but insufficient experimental data and divergent reaction conditions hamper a true comparison. This puts an emphasis on the need for standardized activity testing. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
2024-03-16 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2211-3398 |
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
6.6 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 6.6; 2024 IF: 3.403 |
|
|
Call Number |
UA @ admin @ c:irua:204462 |
Serial |
9221 |
|
Permanent link to this record |
|
|
|
|
Author |
Minja, A.C.; Ag, K.R.; Raes, A.; Borah, R.; Verbruggen, S.W. |
|
|
Title |
Recent progress in developing non-noble metal-based photocathodes for solar green hydrogen production |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Current Opinion in Chemical Engineering |
Abbreviated Journal |
|
|
|
Volume |
43 |
Issue |
|
Pages |
101000 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology |
|
|
Abstract |
Photocathodes play a vital role in photoelectrocatalytic water splitting by acting as catalysts for reducing protons to hydrogen gas when exposed to light. Recent advancements in photocathodes have focused on addressing the limitations of noble metal-based materials. These noble metal-based photocathodes rely on expensive and scarce metals such as platinum and gold as cocatalysts or ohmic back contacts, respectively, rendering the final system less sustainable and costly when applied at scale. This mini-review summarizes the important recent progress in the development of non-noble metal-based photocathodes and their performance in the hydrogen evolution reaction during photoelectrochemical (PEC) water splitting. These advancements bring non-noble metal-based photocathodes closer to their noble metal-based counterparts in terms of performance, thereby paving the way forward toward industrial-scale photoelectrolyzers or PEC cells for green hydrogen production. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001166826200001 |
Publication Date |
2024-01-20 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2211-3398 |
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: 3.403 |
|
|
Call Number |
UA @ admin @ c:irua:202625 |
Serial |
9080 |
|
Permanent link to this record |
|
|
|
|
Author |
Bampouli, A.; Goris, Q.; Hussain, M.N.; Louisnard, O.; Stefanidis, G.D.; Van Gerven, T. |
|
|
Title |
Importance of design and operating parameters in a sonication system for viscous solutions : effects of input power, horn tip diameter and reactor capacity |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Chemical engineering and processing |
Abbreviated Journal |
|
|
|
Volume |
198 |
Issue |
|
Pages |
109715-12 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
This study investigates the distribution of ultrasound (US) energy in a batch system for solutions with viscosity ranging from 1 to approximately 3000 mPas. Sonication was performed using horn type configurations operating at 20-30 kHz and rated power capacity of 50 or 200 W. Two different tip diameters (3 or 7 mm) and two insertion depths (35 or 25 mm) within vessels of different sizes ( approximate to 60 or 130 ml) were utilized. Additionally, a special conical tip design was employed. For each experimental setup, the calorimetric efficiency was estimated, the cavitationally active regions were visualized using the sonochemiluminescence (SCL) method and bubble cluster formation inside the vessel was macroscopically observed using a high speed camera (HSC). In the viscosity range tested, the calorimetry results showed that the efficiency and continuous operation of the device depend on both the rated power and the horn tip diameter. The ratio between electrical and calorimetric power input remained consistently around 40 to 50% across the different configurations for water, but for the 123.2 mPas solution exhibited significant variation ranging from 40 to 85%. Moreover, the power density in the smaller reactor was found to be nearly double compared to the larger one. The SCL analysis showed multiple cavitationally active zones in all setups, and the zones intensity decreased considerably with increase of the solutions viscosity. The results for the cone tip were not conclusive, but can be used as the basis for further investigation. The current research highlights the importance of thoroughly understanding the impact of each design parameter, and of establishing characterization methodologies to assist in the future development of scaled-up, commercial applications. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001218630800001 |
Publication Date |
2024-02-21 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0255-2701 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
4.3 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 4.3; 2024 IF: 2.234 |
|
|
Call Number |
UA @ admin @ c:irua:206003 |
Serial |
9154 |
|
Permanent link to this record |
|
|
|
|
Author |
Parrilla, M.; Sena-Torralba, A.; Steijlen, A.; Morais, S.; Maquieira, Á.; De Wael, K. |
|
|
Title |
A 3D-printed hollow microneedle-based electrochemical sensing device for in situ plant health monitoring |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Biosensors and bioelectronics |
Abbreviated Journal |
|
|
|
Volume |
251 |
Issue |
|
Pages |
116131-116139 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
|
Abstract |
Plant health monitoring is devised as a new concept to elucidate in situ physiological processes. The need for increased food production to nourish the growing global population is inconsistent with the dramatic impact of climate change, which hinders crop health and exacerbates plant stress. In this context, wearable sensors play a crucial role in assessing plant stress. Herein, we present a low-cost 3D-printed hollow microneedle array (HMA) patch as a sampling device coupled with biosensors based on screen-printing technology, leading to affordable analysis of biomarkers in the plant fluid of a leaf. First, a refinement of the 3D-printing method showed a tip diameter of 25.9 ± 3.7 μm with a side hole diameter on the microneedle of 228.2 ± 18.6 μm using an affordable 3D printer (<500 EUR). Notably, the HMA patch withstanded the forces exerted by thumb pressing (i.e. 20-40 N). Subsequently, the holes of the HMA enabled the fluid extraction tested in vitro and in vivo in plant leaves (i.e. 13.5 ± 1.1 μL). A paper-based sampling strategy adapted to the HMA allowed the collection of plant fluid. Finally, integrating the sampling device onto biosensors facilitated the in situ electrochemical analysis of plant health biomarkers (i.e. H2O2, glucose, and pH) and the electrochemical profiling of plants in five plant species. Overall, this electrochemical platform advances precise and versatile sensors for plant health monitoring. The wearable device can potentially improve precision farming practices, addressing the critical need for sustainable and resilient agriculture in changing environmental conditions. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001198047000001 |
Publication Date |
2024-02-13 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0956-5663 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
12.6 |
Times cited |
|
Open Access |
Not_Open_Access |
|
|
Notes |
|
Approved |
Most recent IF: 12.6; 2024 IF: 7.78 |
|
|
Call Number |
UA @ admin @ c:irua:203204 |
Serial |
8998 |
|
Permanent link to this record |
|
|
|
|
Author |
Thiruvottriyur Shanmugam, S.; Campos, R.; Trashin, S.; Daems, E.; Carneiro, D.; Fraga, A.; Ribeiro, R.; De Wael, K. |
|
|
Title |
Singlet oxygen-based photoelectrochemical detection of miRNAs in prostate cancer patients’ plasma : a novel diagnostic tool for liquid biopsy |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Bioelectrochemistry: an international journal devoted to electrochemical aspects of biology and biological aspects of electrochemistry |
Abbreviated Journal |
|
|
|
Volume |
158 |
Issue |
|
Pages |
108698-108699 |
|
|
Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
|
Abstract |
Dysregulation of miRNA expression occurs in many cancers, making miRNAs useful in cancer diagnosis and therapeutic guidance. In a clinical context using methods such as polymerase chain reaction (PCR), the limited amount of miRNAs in circulation often limits their quantification. Here, we present a PCR-free and sensitive singlet oxygen (1O2)-based strategy for the detection and quantification of miRNAs in untreated human plasma from patients diagnosed with prostate cancer. A target miRNA is specifically captured by functionalised magnetic beads and a detection oligonucleotide probe in a sandwich-like format. The formed complex is concentrated at the sensor surface via magnetic beads, providing an interface for the photoinduced redox signal amplification. The detection oligonucleotide probe bears a molecular photosensitiser, which produces 1O2 upon illumination, oxidising a redox reporter and creating a redox cycling loop, allowing quantification of pM level miRNA in diluted human plasma within minutes after hybridisation and without target amplification. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
2024-04-04 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1567-5394 |
ISBN |
|
Additional Links |
UA library record |
|
|
Impact Factor |
5 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 5; 2024 IF: 3.346 |
|
|
Call Number |
UA @ admin @ c:irua:205281 |
Serial |
9229 |
|
Permanent link to this record |
|
|
|
|
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. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
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 |
|
Permanent link to this record |
|
|
|
|
Author |
Teleshkan, E.; Van Schoubroeck, S.; Spiller, M.; Van Passel, S. |
|
|
Title |
Assessing policy impacts on nutrient circularity : a comprehensive review |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Nutrient cycling in agroecosystems |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
1-15 |
|
|
Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
|
|
Abstract |
Nutrient circularity is an emerging concept that seeks to address the environmental problems and nutrient losses caused by agriculture and food consumption. The implementation of circular nutrient technologies and practices (CNTPs), that recover, reuse, and recycle nutrients from agricultural and urban waste is an important policy objective. Yet, which policies govern the adoption of CNTPs is not well defined. This study presents the first systematic review of impact evaluations of policy measures that aim to improve nutrient circularity regulating components of the biological cycle of the circular economy, particularly focusing on bioaccessible nutrients. The key CNTPs that were subject to existing impact evaluations were identified. CNTPs were categorized into nutrient circularity themes, with manure management emerging as a prominent focus. The reviewed studies implemented several methods to assess the impacts of policies on various dependent variables, associated with nutrient circularity. Economic simulation models and linear programming were the most prevalent methods for impact evaluation. Policy measures were labeled as either enabling or not-enabling nutrient circularity based on whether they sufficiently promoted nutrient circularity through facilitating the adoption of CNTPs, and controlling for soil, water and air health, preventing its contamination. It is concluded that incentive policies, harmonizing market support, tax incentives, and technological advancements, as well as coherence of local, national and cross-country legislation prove indispensable in steering the economic feasibility and sustainability of CNTPs, offering a promising avenue for progress and a transformative shift towards nutrient circularity. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001175764500001 |
Publication Date |
2024-02-29 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1385-1314; 1573-0867 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
3.1 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.1; 2024 IF: 1.843 |
|
|
Call Number |
UA @ admin @ c:irua:204250 |
Serial |
9185 |
|
Permanent link to this record |
|
|
|
|
Author |
Chai, Z.-N.; Wang, X.-C.; Yusupov, M.; Zhang, Y.-T. |
|
|
Title |
Unveiling the interaction mechanisms of cold atmospheric plasma and amino acids by machine learning |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Plasma processes and polymers |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
1-26 |
|
|
Keywords |
A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
|
|
Abstract |
Plasma medicine has attracted tremendous interest in a variety of medical conditions, ranging from wound healing to antimicrobial applications, even in cancer treatment, through the interactions of cold atmospheric plasma (CAP) and various biological tissues directly or indirectly. The underlying mechanisms of CAP treatment are still poorly understood although the oxidative effects of CAP with amino acids, peptides, and proteins have been explored experimentally. In this study, machine learning (ML) technology is introduced to efficiently unveil the interaction mechanisms of amino acids and reactive oxygen species (ROS) in seconds based on the data obtained from the reactive molecular dynamics (MD) simulations, which are performed to probe the interaction of five types of amino acids with various ROS on the timescale of hundreds of picoseconds but with the huge computational load of several days. The oxidative reactions typically start with H-abstraction, and the details of the breaking and formation of chemical bonds are revealed; the modification types, such as nitrosylation, hydroxylation, and carbonylation, can be observed. The dose effects of ROS are also investigated by varying the number of ROS in the simulation box, indicating agreement with the experimental observation. To overcome the limits of timescales and the size of molecular systems in reactive MD simulations, a deep neural network (DNN) with five hidden layers is constructed according to the reaction data and employed to predict the type of oxidative modification and the probability of occurrence only in seconds as the dose of ROS varies. The well-trained DNN can effectively and accurately predict the oxidative processes and productions, which greatly improves the computational efficiency by almost ten orders of magnitude compared with the reactive MD simulation. This study shows the great potential of ML technology to efficiently unveil the underpinning mechanisms in plasma medicine based on the data from reactive MD simulations or experimental measurements. In this study, since reactive molecular dynamics simulation can currently only describe interactions between a few hundred atoms in a few hundred picoseconds, deep neural networks (DNN) are introduced to enhance the simulation results by predicting more data efficiently. image |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001202061200001 |
Publication Date |
2024-04-15 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1612-8850 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
3.5 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 3.5; 2024 IF: 2.846 |
|
|
Call Number |
UA @ admin @ c:irua:205512 |
Serial |
9181 |
|
Permanent link to this record |
|
|
|
|
Author |
Xu, H.; Li, H.; Gauquelin, N.; Chen, X.; Wu, W.-F.; Zhao, Y.; Si, L.; Tian, D.; Li, L.; Gan, Y.; Qi, S.; Li, M.; Hu, F.; Sun, J.; Jannis, D.; Yu, P.; Chen, G.; Zhong, Z.; Radovic, M.; Verbeeck, J.; Chen, Y.; Shen, B. |
|
|
Title |
Giant tunability of Rashba splitting at cation-exchanged polar oxide interfaces by selective orbital hybridization |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Advanced materials |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The 2D electron gas (2DEG) at oxide interfaces exhibits extraordinary properties, such as 2D superconductivity and ferromagnetism, coupled to strongly correlated electrons in narrow d-bands. In particular, 2DEGs in KTaO3 (KTO) with 5d t2g orbitals exhibit larger atomic spin-orbit coupling and crystal-facet-dependent superconductivity absent for 3d 2DEGs in SrTiO3 (STO). Herein, by tracing the interfacial chemistry, weak anti-localization magneto-transport behavior, and electronic structures of (001), (110), and (111) KTO 2DEGs, unambiguously cation exchange across KTO interfaces is discovered. Therefore, the origin of the 2DEGs at KTO-based interfaces is dramatically different from the electronic reconstruction observed at STO interfaces. More importantly, as the interface polarization grows with the higher order planes in the KTO case, the Rashba spin splitting becomes maximal for the superconducting (111) interfaces approximately twice that of the (001) interface. The larger Rashba spin splitting couples strongly to the asymmetric chiral texture of the orbital angular moment, and results mainly from the enhanced inter-orbital hopping of the t2g bands and more localized wave functions. This finding has profound implications for the search for topological superconductors, as well as the realization of efficient spin-charge interconversion for low-power spin-orbitronics based on (110) and (111) KTO interfaces. An unambiguous cation exchange is discovered across the interfaces of (001), (110), and (111) KTaO3 2D electron gases fabricated at room temperature. Remarkably, the (111) interfaces with the highest superconducting transition temperature also turn out to show the strongest electron-phonon interaction and the largest Rashba spin splitting. image |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001219658400001 |
Publication Date |
2024-03-13 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
29.4 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 29.4; 2024 IF: 19.791 |
|
|
Call Number |
UA @ admin @ c:irua:206037 |
Serial |
9152 |
|
Permanent link to this record |
|
|
|
|
Author |
Yang, C.-Q.; Yin, Z.-W.; Li, W.; Cui, W.-J.; Zhou, X.-G.; Wang, L.-D.; Zhi, R.; Xu, Y.-Y.; Tao, Z.-W.; Sang, X.; Cheng, Y.-B.; Van Tendeloo, G.; Hu, Z.-Y.; Su, B.-L. |
|
|
Title |
Atomically deciphering the phase segregation in mixed halide perovskite |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Advanced functional materials |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
1-10 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Mixed-halide perovskites show promising applications in tandem solar cells owing to their adjustable bandgap. One major obstacle to their commercialization is halide phase segregation, which results in large open-circuit voltage deficiency and J-V hysteresis. However, the ambiguous interplay between structural origin and phase segregation often results in aimless and unspecific optimization strategies for the device's performance and stability. An atomic scale is directly figured out the abundant Ruddlesden-Popper anti-phase boundaries (RP-APBs) within a CsPbIBr2 polycrystalline film and revealed that phase segregation predominantly occurs at RP-APB-enriched interfaces due to the defect-mediated lattice strain. By compensating their structural lead halide, such RP-APBs are eliminated, and the decreasing of strain can be observed, resulting in the suppression of halide phase segregation. The present work provides the deciphering to precisely regulate the perovskite atomic structure for achieving photo-stable mixed halide wide-bandgap perovskites of high-efficiency tandem solar cell commercial applications. The phase segregation in mixed halide perovskite film predominantly occurs at Ruddlesden-Popper anti-phase boundaries (RP-APBs)-enriched interfaces due to the defect-mediated lattice strain. The RP-APBs defects can be eliminated by compensating for their structural lead halide deficiency, resulting in the suppression of halide phase segregation. image |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001200673300001 |
Publication Date |
2024-04-12 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
19 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 19; 2024 IF: 12.124 |
|
|
Call Number |
UA @ admin @ c:irua:205509 |
Serial |
9134 |
|
Permanent link to this record |
|
|
|
|
Author |
Wang, G.; Xie, C.; Wang, H.; Li, Q.; Xia, F.; Zeng, W.; Peng, H.; Van Tendeloo, G.; Tan, G.; Tian, J.; Wu, J. |
|
|
Title |
Mitigated oxygen loss in lithium-rich manganese-based cathode enabled by strong Zr-O affinity |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Advanced functional materials |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
2313672 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Oxygen loss is a serious problem of lithium-rich layered oxide (LLO) cathodes, as the high capacity of LLO relies on reversible oxygen redox. Oxygen release can occur at the surface leading to the formation of spinel or rock salt structures. Also, the lattice oxygen will usually become unstable after long cycling, which remains a major roadblock in the application of LLO. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in LLO due to the high affinity between Zr and O. A simple sol-gel method is used to dope Zr4+ into the LLOs to adjust the local electronic structure and inhibit the diffusion of oxygen anions to the surface during cycling. Compared with untreated LLOs, LLO-Zr cathodes exhibit a higher cycling stability, with 94% capacity retention after 100 cycles at 0.4 C, up to 223 mAh g-1 at 1 C, and 88% capacity retention after 300 cycles. Theoretical calculations show that due to the strong Zr-O covalent bonding, the formation energy of oxygen vacancies has effectively increased and the loss of lattice oxygen under high voltage can be suppressed. This study provides a simple method for developing high-capacity and cyclability Li-rich cathode materials for lithium-ion batteries. Oxygen release can occur at the cathode surface leading to the formation of spinel or rock salt structures. Here, it is shown that Zr doping is an effective strategy to retain lattice oxygen in lithium-rich layered oxides (LLO) due to the high affinity between Zr and O. LLO-Zr exhibit higher cycling stability, with 88% capacity retention after 300 cycles at 1 C. image |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001159843800001 |
Publication Date |
2024-02-10 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1616-301x |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
19 |
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: 19; 2024 IF: 12.124 |
|
|
Call Number |
UA @ admin @ c:irua:203812 |
Serial |
9161 |
|
Permanent link to this record |
|
|
|
|
Author |
Schram, J. |
|
|
Title |
Electrochemical sensing strategies for multiple illicit drugs |
Type |
Doctoral thesis |
|
Year |
2024 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
290 p. |
|
|
Keywords |
Doctoral thesis; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
|
Abstract |
Today, illicit drugs are omnipresent in society. Clandestine markets are growing faster than ever before, record amounts of cocaine are seized in seaports and airports, while the associated violence is spiralling out of control. In addition, drug monitoring centres worldwide are warning for the increasing complexity of the drug markets, as the traditionally popular drugs are joined by countless new synthetic variants, while medical drugs are also increasingly being abused. In order to provide services confronted with illicit drug samples (police, customs, forensic scientists, first responders, …) with important information on the identity of an unknown sample, suitable analytical tests are required. While these exist for laboratory environments, on-site applicable tests are important to accelerate the decision-making process. Electrochemical sensors have all the advantages required for such on-site tests: they are fast, portable, easy-to-use and reliable. Furthermore, they are not influenced by colours, which are frequently added to drug samples to deceive the existing tests. Previous work has mainly focussed on the detection of a single drug per analysis. However, many drugs could be encountered due to the diversity of the drug markets. Therefore, this project developed electrochemical strategies for the detection of multiple drugs simultaneously. First, the electrochemical behaviour of the individual drugs was studied in different measuring conditions (assessing the influence of pH, concentration and temperature). Then, all findings and strategies were combined to detect multiple targets simultaneously. An electrochemical sensor was developed for the four most popular drugs at music festivals: cocaine, MDMA, amphetamine and ketamine. This sensor generates a so-called ‘superfingerprint’ of the sample, which is then automatically interpreted by a developed algorithm in order to produce a straightforward output. Finally, a pill analysis sensor was developed in the context of drug checking services, where a consumer can anonymously have a sample chemically analysed to obtain information on the composition, dose and potentially harmful additives. The sensor achieved an outstanding accuracy in identifying the main component and provided the option to quantify, as well as an indication on the presence of other substances in the sample. The project’s findings demonstrate the potential for electrochemistry in illicit drug detection and provide a basis for the development of new sensors, targeting other drug combinations. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
|
|
|
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 |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:203199 |
Serial |
9029 |
|
Permanent link to this record |
|
|
|
|
Author |
De Keyzer, M.; Soens, T.; Verbruggen, C. |
|
|
Title |
Mens en natuur : een geschiedenis |
Type |
MA2 Book as author |
|
Year |
2024 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
313 p. |
|
|
Keywords |
MA2 Book as author; History; Centre for Urban History |
|
|
Abstract |
Onze relatie met de natuur om ons heen is, op zijn zachtst gezegd, ingewikkeld. Mensen gingen niet plots een bedreiging vormen voor het leven op aarde nadat ze er eeuwenlang mee in harmonie hadden geleefd. Verschillende ideeën over de omgang met de natuurlijke omgeving – sommige duurzaam, andere ronduit desastreus – hebben altijd naast elkaar bestaan. We waren er ons al verrassend vroeg van bewust dat ons handelen een nefaste impact kon hebben op de natuur. Maar die bezwaren werden geregeld aan de kant geschoven. Deze inleiding tot de milieugeschiedenis helpt de lezer te begrijpen hoe onze hedendaagse problematische omgang met de natuur en ons milieu tot stand is gekomen. Het is een introductie tot het recente onderzoek naar de relatie tussen mens en natuur doorheen de eeuwen, in de Lage Landen en ver daarbuiten. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
|
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
|
ISBN |
978-94-014-0395-5 |
Additional Links |
UA library record |
|
|
Impact Factor |
|
Times cited |
|
Open Access |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:205213 |
Serial |
9212 |
|
Permanent link to this record |
|
|
|
|
Author |
Ramirez-Rojas, I. |
|
|
Title |
Underground connections : the interplay between tropical rainforest trees and soil microbial communities |
Type |
Doctoral thesis |
|
Year |
2024 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
205 p. |
|
|
Keywords |
Doctoral thesis; Plant and Ecosystems (PLECO) – Ecology in a time of change |
|
|
Abstract |
Tropical rainforests host an exceptional biodiversity and play a fundamental role in the regulation of global climatic cycles. Soil fungi and bacteria are key players in the transformation and processing of nutrients in terrestrial ecosystems while having an essential role as tree mutualists or antagonists. Still, there are gaps in our understanding of the main variables driving soil microbes on these forests and it is unclear how future climate change scenarios may impact soil microbes and further affect the ecosystem. In this thesis, we first explored the drivers of the microbial community composition in two pristine forests in French Guiana by using amplicon DNA sequencing. The neighboring tree species were found to be a crucial factor influencing the fungal and bacterial community composition at our sites regardless of the season. Additionally, within the environmental factors explored, soil moisture, phosphorus (P) and nitrogen (N) availability were consistently the main soil properties controlling the composition of soil microbial communities. Secondly, as increased nutrient deposition due to anthropogenic activities are expected to affect tropical forests ecosystems N and P availability, a factorial N and P nutrient addition experiment in the same sites was used to assess the effects of changes in the soil nutrient stoichiometry on the soil microbial communities. These results showed that after 3 years of nutrient additions, the bacterial and fungal community composition was affected by both the N and P additions. Besides, the fungal community composition had a stronger response to the nutrient addition, especially when P was added. Moreover, when the nutrient addition effect was assessed in bacteria and fungi with different life strategies, we found different nutrient optima between them. Furthermore, to study the effect of the connection to an existing mycorrhizal mycelium on tree seedlings, I established a mycelium exclusion experiment. Interestingly, we could not detect an effect of the mycorrhizal mycelium exclusion on the seedling N uptake, performance, or fungal community composition in roots after one year. All together this work provides a deeper understanding of the factors influencing the soil microbial communities on these lowland tropical forests, demonstrating that the tree community composition exerts a higher influence on the soil microbial community composition than previously expected. Moreover, our results show that the fungal and bacterial community composition and its relationship with trees in the vicinity is highly dependent on the ecosystem nutrient availability. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
|
|
|
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 |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:204907 |
Serial |
9237 |
|
Permanent link to this record |
|
|
|
|
Author |
Montiel, F.N. |
|
|
Title |
Voltage against illicit drug trafficking : capabilities of electrochemical fingerprinting to detect illicit drugs |
Type |
Doctoral thesis |
|
Year |
2024 |
Publication |
|
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
256 p. |
|
|
Keywords |
Doctoral thesis; Pharmacology. Therapy; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab) |
|
|
Abstract |
|
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
|
|
|
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 |
|
|
|
Notes |
|
Approved |
Most recent IF: NA |
|
|
Call Number |
UA @ admin @ c:irua:204707 |
Serial |
9243 |
|
Permanent link to this record |
|
|
|
|
Author |
Faraji, F.; Neyts, E.C.; Milošević, M.V.; Peeters, F.M. |
|
|
Title |
Capillary Condensation of Water in Graphene Nanocapillaries |
Type |
A1 Journal Article |
|
Year |
2024 |
Publication |
Nano Letters |
Abbreviated Journal |
Nano Lett. |
|
|
Volume |
24 |
Issue |
18 |
Pages |
5625-5630 |
|
|
Keywords |
A1 Journal Article; CMT |
|
|
Abstract |
Recent experiments have revealed that the macroscopic Kelvin equation remains surprisingly accurate even for nanoscale capillaries. This phenomenon was so far explained by the oscillatory behavior of the solid−liquid interfacial free energy. We here demonstrate thermodynamic and capillarity inconsistencies with this explanation. After revising the Kelvin equation, we ascribe its validity at nanoscale confinement to the effect of disjoining pressure.
To substantiate our hypothesis, we employed molecular dynamics simulations to evaluate interfacial heat transfer and wetting properties. Our assessments unveil a breakdown in a previously established proportionality between the work of adhesion and the Kapitza conductance at capillary heights below 1.3 nm, where the dominance of the work of adhesion shifts primarily from energy to entropy. Alternatively, the peak density of the initial water layer can effectively probe the work of adhesion. Unlike under bulk conditions, high confinement renders the work of adhesion entropically unfavorable. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
|
Publication Date |
2024-05-08 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1530-6984 |
ISBN |
|
Additional Links |
|
|
|
Impact Factor |
10.8 |
Times cited |
|
Open Access |
|
|
|
Notes |
This work was supported by Research Foundation-Flanders (FWO, project No. G099219N). The computational resources used in this work were provided by the HPC core facility CalcUA of the University of Antwerp, and the Flemish Supercomputer Center (VSC), funded by FWO and the Flemish Government. |
Approved |
Most recent IF: 10.8; 2024 IF: 12.712 |
|
|
Call Number |
UA @ lucian @ |
Serial |
9123 |
|
Permanent link to this record |
|
|
|
|
Author |
Chakraborty, J.; Chatterjee, A.; Molkens, K.; Nath, I.; Arenas Esteban, D.; Bourda, L.; Watson, G.; Liu, C.; Van Thourhout, D.; Bals, S.; Geiregat, P.; Van der Voort, P. |
|
|
Title |
Decoding Excimer Formation in Covalent–Organic Frameworks Induced by Morphology and Ring Torsion |
Type |
A1 Journal Article |
|
Year |
2024 |
Publication |
Advanced Materials |
Abbreviated Journal |
Advanced Materials |
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
|
Abstract |
A thorough and quantitative understanding of the fate of excitons in covalent–organic frameworks (COFs) after photoexcitation is essential for their augmented optoelectronic and photocatalytic applications via precise structure tuning. The synthesis of a library of COFs having identical chemical backbone with impeded conjugation, but varied morphology and surface topography to study the effect of these physical properties on the photophysics of the materials is herein reported. The variation of crystallite size and surface topography substantified different aggregation pattern in the COFs, which leads to disparities in their photoexcitation and relaxation properties. Depending on aggregation, an inverse correlation between bulk luminescence decay time and exciton binding energy of the materials is perceived. Further transient absorption spectroscopic analysis confirms the presence of highly localized, immobile, Frenkel excitons (of diameter 0.3–0.5 nm) via an absence of annihilation at high density, most likely induced by structural torsion of the COF skeletons, which in turn preferentially relaxes via long‐lived (nanosecond to microsecond) excimer formation (in femtosecond scale) over direct emission. These insights underpin the importance of structural and topological design of COFs for their targeted use in photocatalysis. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001206226700001 |
Publication Date |
2024-04-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
29.4 |
Times cited |
|
Open Access |
|
|
|
Notes |
PVDV, JC, AC, and IN acknowledge the FWO-Vlaanderen for research grant G020521N and the research board of UGent (BOF) through a Concerted Research Action (GOA010-17). JC acknowledges UGent for BOF postdoctoral grant (2022.0032.01). AC acknowledges FWO- Vlaanderen for postdoctoral grant (12T7521N). KM, DVT and PG acknowledges FWO- Vlaanderen for research grant G0B2921N. SB and DAE acknowledge financial support from ERC Consolidator Grant Number 815128 REALNANO. CHL acknowledges China Scholarship Council doctoral grant (201908110280). PVDV acknowledges Hercules Project AUGE/17/07 for the UV VIS DRS spectrometer and UGent BASBOF BOF20/BAS/015 for the powder X-Ray Diffractometer. PG thanks UGent for support of the Core Facility NOLIMITS. |
Approved |
Most recent IF: 29.4; 2024 IF: 19.791 |
|
|
Call Number |
EMAT @ emat @c:irua:205967 |
Serial |
9118 |
|
Permanent link to this record |
|
|
|
|
Author |
Chakraborty, J.; Chatterjee, A.; Molkens, K.; Nath, I.; Arenas Esteban, D.; Bourda, L.; Watson, G.; Liu, C.; Van Thourhout, D.; Bals, S.; Geiregat, P.; Van der Voort, P. |
|
|
Title |
Decoding Excimer Formation in Covalent–Organic Frameworks Induced by Morphology and Ring Torsion |
Type |
A1 Journal Article |
|
Year |
2024 |
Publication |
Advanced Materials |
Abbreviated Journal |
Advanced Materials |
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
|
Abstract |
A thorough and quantitative understanding of the fate of excitons in covalent–organic frameworks (COFs) after photoexcitation is essential for their augmented optoelectronic and photocatalytic applications via precise structure tuning. The synthesis of a library of COFs having identical chemical backbone with impeded conjugation, but varied morphology and surface topography to study the effect of these physical properties on the photophysics of the materials is herein reported. The variation of crystallite size and surface topography substantified different aggregation pattern in the COFs, which leads to disparities in their photoexcitation and relaxation properties. Depending on aggregation, an inverse correlation between bulk luminescence decay time and exciton binding energy of the materials is perceived. Further transient absorption spectroscopic analysis confirms the presence of highly localized, immobile, Frenkel excitons (of diameter 0.3–0.5 nm) via an absence of annihilation at high density, most likely induced by structural torsion of the COF skeletons, which in turn preferentially relaxes via long‐lived (nanosecond to microsecond) excimer formation (in femtosecond scale) over direct emission. These insights underpin the importance of structural and topological design of COFs for their targeted use in photocatalysis. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001206226700001 |
Publication Date |
2024-04-22 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
0935-9648 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
29.4 |
Times cited |
|
Open Access |
|
|
|
Notes |
PVDV, JC, AC, and IN acknowledge the FWO-Vlaanderen for research grant G020521N and the research board of UGent (BOF) through a Concerted Research Action (GOA010-17). JC acknowledges UGent for BOF postdoctoral grant (2022.0032.01). AC acknowledges FWOVlaanderen for postdoctoral grant (12T7521N). KM, DVT and PG acknowledges FWOVlaanderen for research grant G0B2921N. SB and DAE acknowledge financial support from ERC Consolidator Grant Number 815128 REALNANO. CHL acknowledges China Scholarship Council doctoral grant (201908110280). PVDV acknowledges Hercules Project AUGE/17/07 for the UV VIS DRS spectrometer and UGent BASBOF BOF20/BAS/015 for the powder X-Ray Diffractometer. PG thanks UGent for support of the Core Facility NOLIMITS. |
Approved |
Most recent IF: 29.4; 2024 IF: 19.791 |
|
|
Call Number |
EMAT @ emat @c:irua:205967 |
Serial |
9130 |
|
Permanent link to this record |
|
|
|
|
Author |
Grünewald, L.; Chezganov, D.; De Meyer, R.; Orekhov, A.; Van Aert, S.; Bogaerts, A.; Bals, S.; Verbeeck, J. |
|
|
Title |
In Situ Plasma Studies Using a Direct Current Microplasma in a Scanning Electron Microscope |
Type |
A1 Journal Article |
|
Year |
2024 |
Publication |
Advanced Materials Technologies |
Abbreviated Journal |
Adv Materials Technologies |
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ; |
|
|
Abstract |
Microplasmas can be used for a wide range of technological applications and to improve the understanding of fundamental physics. Scanning electron microscopy, on the other hand, provides insights into the sample morphology and chemistry of materials from the mm‐ down to the nm‐scale. Combining both would provide direct insight into plasma‐sample interactions in real‐time and at high spatial resolution. Up till now, very few attempts in this direction have been made, and significant challenges remain. This work presents a stable direct current glow discharge microplasma setup built inside a scanning electron microscope. The experimental setup is capable of real‐time in situ imaging of the sample evolution during plasma operation and it demonstrates localized sputtering and sample oxidation. Further, the experimental parameters such as varying gas mixtures, electrode polarity, and field strength are explored and experimental<italic>V</italic>–<italic>I</italic>curves under various conditions are provided. These results demonstrate the capabilities of this setup in potential investigations of plasma physics, plasma‐surface interactions, and materials science and its practical applications. The presented setup shows the potential to have several technological applications, for example, to locally modify the sample surface (e.g., local oxidation and ion implantation for nanotechnology applications) on the µm‐scale. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001168639900001 |
Publication Date |
2024-02-25 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2365-709X |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
6.8 |
Times cited |
|
Open Access |
OpenAccess |
|
|
Notes |
L.G., S.B., and J.V. acknowledge support from the iBOF-21-085 PERsist research fund. D.C., S.V.A., and J.V. acknowledge funding from a TOPBOF project of the University of Antwerp (FFB 170366). R.D.M., A.B., and J.V. acknowledge funding from the Methusalem project of the University of Antwerp (FFB 15001A, FFB 15001C). A.O. and J.V. acknowledge funding from the Research Foundation Flanders (FWO, Belgium) project SBO S000121N. |
Approved |
Most recent IF: 6.8; 2024 IF: NA |
|
|
Call Number |
EMAT @ emat @c:irua:204363 |
Serial |
8995 |
|
Permanent link to this record |
|
|
|
|
Author |
Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M. |
|
|
Title |
Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Advanced Science |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
1-13 |
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001206888000001 |
Publication Date |
2024-04-24 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
2198-3844 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
15.1 |
Times cited |
|
Open Access |
|
|
|
Notes |
This work was supported by the funding received by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation program (grant agreement no. 818776- DYNAPOL, no. 770887 PICOMETRICS and no. 815128 REALNANO). The authors also acknowledge the computational resources provided by the Swiss National Supercomputing Center (CSCS), by CINECA, and the Research Foundation Flanders (FWO, Belgium) G.0346.21N. |
Approved |
Most recent IF: 15.1; 2024 IF: 9.034 |
|
|
Call Number |
UA @ admin @ c:irua:205442 |
Serial |
9171 |
|
Permanent link to this record |
|
|
|
|
Author |
Arisnabarreta, N.; Hao, Y.; Jin, E.; Salame, A.; Muellen, K.; Robert, M.; Lazzaroni, R.; Van Aert, S.; Mali, K.S.; De Feyter, S. |
|
|
Title |
Single-layered imine-linked porphyrin-based two-dimensional covalent organic frameworks targeting CO₂ reduction |
Type |
A1 Journal article |
|
Year |
2024 |
Publication |
Advanced energy materials |
Abbreviated Journal |
|
|
|
Volume |
|
Issue |
|
Pages |
|
|
|
Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
|
|
Abstract |
The reduction of carbon dioxide (CO2) using porphyrin-containing 2D covalent organic frameworks (2D-COFs) catalysts is widely explored nowadays. While these framework materials are normally fabricated as powders followed by their uncontrolled surface heterogenization or directly grown as thin films (thickness >200 nm), very little is known about the performance of substrate-supported single-layered (approximate to 0.5 nm thickness) 2D-COFs films (s2D-COFs) due to its highly challenging synthesis and characterization protocols. In this work, a fast and straightforward fabrication method of porphyrin-containing s2D-COFs is demonstrated, which allows their extensive high-resolution visualization via scanning tunneling microscopy (STM) in liquid conditions with the support of STM simulations. The as-prepared single-layered film is then employed as a cathode for the electrochemical reduction of CO2. Fe porphyrin-containing s2D-COF@graphite used as a single-layered heterogeneous catalyst provided moderate-to-high carbon monoxide selectivity (82%) and partial CO current density (5.1 mA cm(-2)). This work establishes the value of using single-layered films as heterogene ous catalysts and demonstrates the possibility of achieving high performance in CO2 reduction even with extremely low catalyst loadings. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
Language |
|
Wos |
001177577200001 |
Publication Date |
2024-02-28 |
|
|
Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
|
|
Series Volume |
|
Series Issue |
|
Edition |
|
|
|
ISSN |
1614-6832; 1614-6840 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
|
|
Impact Factor |
27.8 |
Times cited |
|
Open Access |
|
|
|
Notes |
N.A. acknowledges a postdoctoral fellowship from the Research Foundation- Flanders (FWO) via grant 12ZS623N. S.D.F. acknowledges support from FWO (G0A4120N, G0H2122N, G0A5U24N), KU Leuven Internal Funds (grants C14/18/06, C14/19/079, C14/23/090), European Union under the Horizon Europe grant 101046231 (FantastiCOF), and M-ERA.NET via FWO (G0K9822N). S.D.F., K.M., Y.H., R.L., and S.V.A. were thankful to the FWO and FNRS for the financial support through the EOS program (grant 30489208, 40007495). Research in Mons was also supported by the Belgian National Fund for Scientific Research (FRS-FNRS) within the Consortium des Équipements de Calcul Intensif- CÉCI, and by the Walloon Region (ZENOBE and LUCIA Tier-1 supercomputers). E.J. appreciated the support from the Alexander von Humboldt Foundation, the Max Planck Society, the FLAG-ERA Grant OPERA by DFG 437130745, the National Natural Science Foundation of China (22288101), and the 111 Project (B17020). Partial financial support to M.R. from the Institut Universitaire de France (IUF) was warmly thanked. |
Approved |
Most recent IF: 27.8; 2024 IF: 16.721 |
|
|
Call Number |
UA @ admin @ c:irua:204856 |
Serial |
9172 |
|
Permanent link to this record |
|
|
|
|
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+. |
|
|
Address |
|
|
|
Corporate Author |
|
Thesis |
|
|
|
Publisher |
|
Place of Publication |
|
Editor |
|
|
|
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 |
|
|
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 |
|
Permanent link to this record |