| Records |
| Author |
Borms, L.; Van Opstal, W.; Brusselaers, J.; Van Passel, S. |
| Title |
The working future : an analysis of skills needed by circular startups |
Type |
A1 Journal article |
| Year |
2023 |
Publication |
Journal of cleaner production |
Abbreviated Journal |
|
| Volume |
409 |
Issue |
|
Pages |
137261-137269 |
| Keywords |
A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM) |
| Abstract |
Aside from potential environmental benefits, the implementation of circular economy principles in businesses can have merits for the labour market. The current unemployment in several regions of Europe and the qualitative mismatch between supply and demand could be countered by reskilling the labour force to adjust supply and demand to one another for increased reuse, repair, or recycling, among others. This study uses interviews to increase the focus of the research question and uses survey data to perform an ordered probit regression analysis to sketch the current and future landscape of startups’ skills in Flanders (Belgium), and to analyse the relationship between circular strategies and different types of skills. The results show that design to lower material use increases the need for transport and logistics skills, digitalisation increases the need for R&D and IT skills, and the recuperation of waste requires technical knowledge. Furthermore, gender, age, and experience of the entrepreneur influence the needed skills. The paper probed for policy recommendations for the uptake of circular strategies and recommendations for future research. The most asked policy measures by the respondents are innovation and collaboration support (subsidies), fiscal measures that support circular goods and services, and public procurement for circular goods and services. This research is of relevance for several stakeholders, such as startup ecosystems, sector organisations, policy makers in innovation policy and labour market policy, and educational institutions. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
000988763400001 |
Publication Date |
2023-04-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0959-6526 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
| Impact Factor |
11.1 |
Times cited |
|
Open Access  |
|
| Notes |
|
Approved |
Most recent IF: 11.1; 2023 IF: 5.715 |
| Call Number |
UA @ admin @ c:irua:195706 |
Serial |
9246 |
| Permanent link to this record |
| |
|
| |
| Author |
Nazar, N.D.; Peeters, F.M.; Costa Filho, R.N.; Vazifehshenas, T. |
| Title |
8-pmmn borophene : edge states in competition with Landau levels and local vacancy states |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical chemistry, chemical physics |
Abbreviated Journal |
|
| Volume |
26 |
Issue |
22 |
Pages |
16153-16159 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The tight-binding method is used to investigate the electronic and magnetic properties of borophene nano-ribbons (BNRs) in the presence of a perpendicular magnetic field. Most BNRs exhibit metallic characteristics due to edge bands. Additionally, the appearance of Landau levels (LLs) is strongly influenced by the edge states, contrasting with the sheet platform which produces distinct LLs. We also investigated single atomic vacancy disorders in BNRs and observed localized vacancy states (LVSs) resulting from atomic disorder. Both LVSs and LLs are influenced by the edge states, underscoring that the electronic and magnetic properties of BNRs are strongly edge-dependent. This aspect is crucial for consideration in experimental, theoretical, and computational studies. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001230536600001 |
Publication Date |
2024-05-24 |
| 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 |
|
| Notes |
|
Approved |
Most recent IF: 3.3; 2024 IF: 4.123 |
| Call Number |
UA @ admin @ c:irua:206599 |
Serial |
9274 |
| Permanent link to this record |
| |
|
| |
| Author |
Thiruvottriyur Shanmugam, S.; Steijlen, A.; Laurijssen, D.; Campos, R.; Steckel, J.; Daems, W.; Bassini, S.; Daems, E.; De Wael, K. |
| Title |
A 96-well LED array for multiplexed photoelectrochemical detection of nucleic acids |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Analytical chemistry |
Abbreviated Journal |
|
| Volume |
96 |
Issue |
38 |
Pages |
15091-15096 |
| Keywords |
A1 Journal article; Co-Design of Cyber-Physical Systems (Cosys-Lab); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
Photoelectrochemical detection of nucleic acid-based cancer biomarkers offers opportunities for highly sensitive, selective, and fast quantitative detection using low-cost measurement instruments. In order to establish itself as a standard method for identifying and quantifying nucleic acids, we have developed a multiplexing strategy using LED technology for photoelectrochemical detection in 96 samples simultaneously. A dedicated setup based on the 96-well plate configuration with a custom-made 96-well LED array was developed. Subsequently, a proof-of-concept study was performed for three miRNAs that are associated with prostate cancer, i.e., miRNA-141, miRNA-145, and miRNA-375. First, measurements with photosensitizer chlorin e6 and redox reporter hydroquinone free in solution proved the proper functioning of the multiplexed detection. Second, the photoelectrochemical detection of the three miRNAs at 24 nM levels was successfully demonstrated. Thereafter, linear calibration curves (R2 > 0.9 for all analytes) were made with plasma spiked with 8–500 pM miRNA. This work presents the first system for multiplexed high-throughput photoelectrochemical detection, allowing it potentially to become a cost-effective and faster alternative to RT-qPCR and gene sequencing techniques in the future. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2024-09-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0003-2700; 5206-882x |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
7.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 7.4; 2024 IF: 6.32 |
| Call Number |
UA @ admin @ c:irua:208164 |
Serial |
9275 |
| Permanent link to this record |
| |
|
| |
| Author |
Steijlen, A.; Docter, M.; Bastemeijer, J.; Topyla, M.; Moraczewska, M.; Hoekstra, T.; Parrilla, M.; De Wael, K. |
| Title |
A practical guide to build a Raspberry Pi Pico based potentiostat for educational electrochemistry and electronic instrumentation |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Journal of chemical education |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
|
| Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
This manuscript presents the first practical guide to build a Raspberry Pi Pico based potentiostat for electrical and electrochemical instrumentation education. The circuit enables us to perform different types of voltammetry such as cyclic and square wave voltammetry. Voltammograms of paracetamol tablets in a neutral buffer solution were successfully recorded and compared to lab equipment. Thereafter, the effect of different scan rates and different concentrations was studied as a proof of concept. Furthermore, the experiments were expanded with measurements of other pharmaceutical tablets such as vitamin C. Over 80 nanobiology bachelor students successfully built their own potentiostat in an electronic instrumentation course. They validated their systems successfully with electrochemical experiments using paracetamol as a conventional pharmaceutical that can be performed in a classroom. The students acquired a valuable understanding of the electronic building blocks and system architecture within electrochemical instrumentation, equipping them with the requisite knowledge to effectively optimize instrumentation parameters in their future research work. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001291 |
Publication Date |
2024-08-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-9584; 1938-1328 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3; 2024 IF: 1.419 |
| Call Number |
UA @ admin @ c:irua:207478 |
Serial |
9276 |
| Permanent link to this record |
| |
|
| |
| Author |
Khalil, I.; Rigamonti, M.G.; Janssens, K.; Bugaev, A.; Arenas Esteban, D.; Robijns, S.; Donckels, T.; Beydokhti, M.T.; Bals, S.; De Vos, D.; Dusselier, M. |
| Title |
Atomically dispersed ruthenium hydride on beta zeolite as catalysts for the isomerization of muconates |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Nature Catalysis |
Abbreviated Journal |
|
| Volume |
7 |
Issue |
|
Pages |
921-933 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Searching for sustainable polymers requires access to biomass-based monomers. In that sense, glucose-derived cis,cis-muconic acid stands as a high-potential intermediate. However, to unlock its potential, an isomerization to the value-added trans,trans-isomer, trans,trans-muconic acid, is required. Here we develop atomically dispersed low-loaded Ru on beta zeolite catalysts that produce trans,trans-muconate in ethanol with total conversion (to equilibrium) and a selectivity of >95%. We reach very high turnovers per Ru and productivity rates of 427 mM h(-1) (similar to 85 g l(-1) h(-1)), surpassing the bio-based cis,cis-muconic acid production rates by an order of magnitude. By coupling isomerization to Diels-Alder cycloaddition, terephthalate intermediates are produced in around 90% yields, circumventing the isomer equilibrium. Isomerization is promoted by Ru hydride species where the hydrides are generated from the alcohol solvent, as evidenced by Fourier transform infrared spectroscopy. Beyond isomerization, the Ru-zeolite and its hydride-forming capacity could be of use as a heterogeneous catalyst for other hydride chemistries, demonstrated by a successful hydride transfer hydrogenation. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001294 |
Publication Date |
2024-08-19 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2520-1158 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
37.8 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 37.8; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:207521 |
Serial |
9277 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, Q.N.; Vasilopoulos, P.; Peeters, F.M.; Xu, W.; Xiao, Y.M.; Milošević, M.V. |
| Title |
Collective excitations in three-dimensional Dirac systems |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
109 |
Issue |
11 |
Pages |
115123-115129 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We provide the plasmon spectrum and related properties of the three-dimensional (3D) Dirac semimetals Na 3 Bi and Cd 3 As 2 based on the random -phase approximation. The necessary one -electron eigenvalues and eigenfunctions are obtained from an effective k <middle dot> p Hamiltonian. Below the energy at which the velocity v z along the k z axis vanishes, the density of states differs drastically from that of a 3D electron gas (3DEG) or graphene. The dispersion relation is anisotropic for wave vectors parallel ( q ) and perpendicular ( q z ) to the ( x , y ) plane and is markedly different than that of graphene or a 3DEG. The same holds for the energy -loss function. Both depend sensitively on the position of the Fermi energy E F relative to the region of the Berry curvature of the bands. For E F below the energy at which v z vanishes, the range of the relevant wave vectors q and q z shrinks, for q z by about one order of magnitude. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001235353700005 |
Publication Date |
2024-03-13 |
| 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 |
| Impact Factor |
3.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:206669 |
Serial |
9278 |
| Permanent link to this record |
| |
|
| |
| Author |
Wang, L.; Griffin, D.K.; Romanov, M.N.; Gielis, J. |
| Title |
Comparison of two polar equations in describing the geometries of domestic pigeon (Columba livia domestica) eggs |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Poultry science |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
104196-104199 |
| Keywords |
A1 Journal article; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
Two-dimensional (2D)egg-shape equa-tions are potent mathematical tools, facilitating the description of avian egg geometries in their applied mathematical modelling and poultry science implementations. In the present study, 2 distinct polar equations,namely the Carter-Morley-Jones equation (CMJE) and simplified Gielis equation(SGE), were used to fit the profile geometries of 415 domestic pigeon (Columba livia domestica) eggs based on nonlinear least squares regression methods. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2024-09-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0032-5791; 1525-3171 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
4.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.4; 2024 IF: 1.908 |
| Call Number |
UA @ admin @ c:irua:208221 |
Serial |
9279 |
| Permanent link to this record |
| |
|
| |
| Author |
Liang, Z.; Batuk, M.; Orlandi, F.; Manuel, P.; Hadermann, J.; Hayward, M.A. |
| Title |
Competition between anion-deficient oxide and oxyhydride phases during the topochemical reduction of LaSrCoRuO₆ |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Inorganic chemistry |
Abbreviated Journal |
|
| Volume |
63 |
Issue |
28 |
Pages |
12910-12919 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Binary metal hydrides can act as low-temperature reducing agents for complex oxides in the solid state, facilitating the synthesis of anion-deficient oxide or oxyhydride phases. The reaction of LaSrCoRuO6, with CaH2 in a sealed tube yields the face-centered cubic phase LaSrCoRuO3.2H1.9. The reaction with LiH under similar conditions converts LaSrCoRuO6 to a mixture of tetragonal LaSrCoRuO4.8H1.2 and cubic LaSrCoRuO3.3H2.13. The formation of the LaSrCoRuOxHy oxyhydride phases proceeds directly from the parent oxide, with no evidence for anion-deficient LaSrCoRuO6-x intermediates, in contrast with many other topochemically synthesized transition-metal oxyhydrides. However, the reaction between LaSrCoRuO6 and LiH under flowing argon yields a mixture of LaSrCoRuO5 and the infinite layer phase LaSrCoRuO4. The change to all-oxide products when reactions are performed under flowing argon is attributed to the lower hydrogen partial pressure under these conditions. The implications for the reaction mechanism of these topochemical transformations is discussed along with the role of the hydrogen partial pressure in oxyhydride synthesis. Magnetization measurements indicate the LaSrCoRuOxHy phases exhibit local moments on Co and Ru centers, which are coupled antiferromagnetically. In contrast, LaSrCoRuO4 exhibits ferromagnetic behavior with a Curie temperature above 350 K, which can be rationalized on the basis of superexchange coupling between the Co1+ and Ru2+ centers. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001259 |
Publication Date |
2024-06-28 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0020-1669 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS full record |
| Impact Factor |
4.6 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 4.6; 2024 IF: 4.857 |
| Call Number |
UA @ admin @ c:irua:207018 |
Serial |
9280 |
| Permanent link to this record |
| |
|
| |
| Author |
Yuan, M.-M.; Wang, L.-D.; Zhang, J.; Ran, M.-J.; Wang, K.; Hu, Z.-Y.; Van Tendeloo, G.; Li, Y.; Su, B.-L. |
| Title |
Cut-off voltage influencing the voltage decay of single crystal lithium-rich manganese-based cathode materials in lithium-ion batteries |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Journal of colloid and interface science |
Abbreviated Journal |
|
| Volume |
674 |
Issue |
|
Pages |
238-248 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
The voltage decay of Li -rich layered oxide cathode materials results in the deterioration of cycling performance and continuous energy loss, which seriously hinders their application in the high-energy – density lithium -ion battery (LIB) market. However, the origin of the voltage decay mechanism remains controversial due to the complex influences of transition metal (TM) migration, oxygen release, indistinguishable surface/bulk reactions and the easy intra/inter-crystalline cracking during cycling. We investigated the direct cause of voltage decay in micrometer -scale single -crystal Li 1.2 Mn 0.54 Ni 0.13 Co 0.13 O 2 (SC-LNCM) cathode materials by regulating the cut-off voltage. The redox of TM and O 2- ions can be precisely controlled by setting different voltage windows, while the cracking can be restrained, and surface/bulk structural evaluation can be monitored because of the large single crystal size. The results show that the voltage decay of SC-LNCM is related to the combined effect of cation rearrangement and oxygen release. Maintaining the discharge cutoff voltage at 3 V or the charging cutoff voltage at 4.5 V effectively mitigates the voltage decay, which provides a solution for suppressing the voltage decay of Lirich and Mn-based layered oxide cathode materials. Our work provides significant insights into the origin of the voltage decay mechanism and an easily achievable strategy to restrain the voltage decay for Li -rich and Mn-based cathode materials. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001261 |
Publication Date |
2024-06-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0021-9797; 1095-7103 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS full record |
| Impact Factor |
9.9 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.9; 2024 IF: 4.233 |
| Call Number |
UA @ admin @ c:irua:207026 |
Serial |
9281 |
| Permanent link to this record |
| |
|
| |
| Author |
De Keyser, N.; Broers, F.T.H.; Vanmeert, F.; van Loon, A.; Gabrieli, F.; De Meyer, S.; Gestels, A.; Gonzalez, V.; Hermens, E.; Noble, P.; Meirer, F.; Janssens, K.; Keune, K. |
| Title |
Discovery of pararealgar and semi-amorphous pararealgar in Rembrandt's The Night Watch : analytical study and historical contextualization |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Heritage science |
Abbreviated Journal |
|
| Volume |
12 |
Issue |
1 |
Pages |
237-20 |
| Keywords |
A1 Journal article; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS) |
| Abstract |
This article reports on the discovery of pararealgar and semi-amorphous pararealgar in Rembrandt's masterpiece The Night Watch. A large-scale research project named Operation Night Watch was started in 2019. A variety of non-invasive analytical imaging techniques, together with paint sample research, has provided new information about Rembrandt's pigments, materials, and techniques as well as the current condition of the painting. Macroscopic X-ray fluorescence, macroscopic X-ray powder diffraction and reflectance imaging spectroscopy identified the presence of arsenic sulfide pigments and degradation products of these pigments in the doublet sleeves and embroidered buff coat worn by Lieutenant Willem van Ruytenburch (central figure to the right of Captain Frans Banninck Cocq). Examination by light microscopy of two paint samples taken from this area shows a mixture of large sharp-edged tabular yellow and orange to red pigment particles, and scanning electron microscopy-energy dispersive X-ray analysis identified these particles as containing arsenic and sulfur. Using micro-Raman spectroscopy, the yellow particles were identified as pararealgar, and the orange to red particles as semi-amorphous pararealgar. Synchrotron-based X-ray diffraction allowed visualization of the presence of multiple degradation products associated with arsenic sulfides throughout the paint layer. The discovery of pararealgar and semi-amorphous pararealgar is a new addition to Rembrandt's pigment palette. To contextualize our findings and to hypothesize why, how, and where Rembrandt obtained the pigments, we studied related historical sources. A comprehensive review of historical sources gives insight into the types of artificial arsenic sulfides that were available and suggests that a broader range of arsenic pigments could have been available in Amsterdam in the seventeenth century than previously thought. This is supported by the use of a very similar mixture of pigments by Willem Kalf (1619-1693), a contemporary artist based in Amsterdam. Together with the condition of the particles in the paint cross sections, this brings us to the conclusion that Rembrandt intentionally used pararealgar and semi-amorphous pararealgar, together with lead-tin yellow and vermilion, to create an orange paint. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001270 |
Publication Date |
2024-07-11 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2050-7445 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.5; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:207665 |
Serial |
9284 |
| Permanent link to this record |
| |
|
| |
| Author |
Schram, J.; Parrilla, M.; Sleegers, N.; Slosse, A.; Van Durme, F.; van Nuijs, A.L.N.; De Wael, K. |
| Title |
Electrochemical classification of benzodiazepines : a comprehensive approach combining insights from voltammetry and liquid chromatography – mass spectrometry |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Talanta : the international journal of pure and applied analytical chemistry |
Abbreviated Journal |
|
| Volume |
279 |
Issue |
|
Pages |
126623-10 |
| Keywords |
A1 Journal article; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
The growing non-medical use of benzodiazepines (BZs) has led to the emergence of counterfeit BZ pills and new psycho-active substances (NPS) in the BZ class on the illicit market. Comprehensive analytical methods for BZ identification are required to allow law enforcement, first aid responders and drug-checking services to analyze a variety of sample types and contents to make timely decisions on the spot. In this work, the electrochemical behavior of diazepam (DZ), clonazepam (CZ) and alprazolam (AP) is studied on graphite screen-printed electrodes, both with and without dissolved oxygen in the solution, to link their redox signals to their chemical structure. After elucidation of their reduction mechanisms using liquid chromatography coupled to highresolution mass spectrometry, three structural classes (Class 1, Class 2 and Class 3) were defined, each with different redox centers and electrochemical behavior. Subsequently, 22 confiscated pills containing 14 different BZs were correctly assigned to these three structural classes, with the deoxygenated conditions displaying the highest class selectivity. Finally, the three classes were successfully detected after being spiked into five alcoholic beverages in the context of drug-facilitated sexual assault. For analysis in red wine, which complicated the analysis by interfering with Class 1, a dual test strategy in pH 2 and pH 7 was proposed for accurate detection. Its rapid measurements, broad scope and lack of interference from diluents or colors makes this method a promising approach for aiding various services in combating problematic BZ use. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001285 |
Publication Date |
2024-07-27 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0039-9140; 1873-3573 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
6.1 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.1; 2024 IF: 4.162 |
| Call Number |
UA @ admin @ c:irua:207508 |
Serial |
9285 |
| Permanent link to this record |
| |
|
| |
| Author |
Kocabas, T.; Samanta, B.; Barboza, E. da S.; Sevik, C.; Milošević, M.V.; Çakir, D. |
| Title |
Electron-phonon coupling and thermal conductivity of MAB compounds |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
8 |
Issue |
5 |
Pages |
055002-55011 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We investigated the electron-phonon ( e -ph ) coupling and vibrational thermal conductivity in the representative MAB compounds, namely MoAlB, WAlB, Tc 2 AlB 2 , and Cr 2 AlB 2 . The spectral distribution functions of e -ph interaction, obtained through ab initio linear-response calculations, reveal that the electron-phonon coupling values range from low (0.15) to moderate (0.58). With such e -ph coupling, out of the considered compounds, only Tc 2 AlB 2 exhibits a superconducting transition, at 4 K. We further evaluated the thermal conductivity and associated properties like scattering rates, obtained using ab initio and other methodologies. The latter included the iterative solution of the Peierls-Boltzmann transport equation, using HIPHIVE package for advanced optimization and machine learning techniques, and employing maximum likelihood estimation to approximate scattering rates from a limited set of scattering processes. We found that these methods yield nearly identical predictions for thermal conductivity values, with a significant decrease in the computational cost compared to the first-principles methods. We examined interactions arising from both three-phonon (3 ph ) and four -phonon (4 ph ) scattering processes. The 4 ph interactions demonstrated a smaller yet significant impact on the overall vibrational thermal conductivity, most notably in Tc 2 AlB 2 . Our findings indicate that Cr 2 AlB 2 has the highest thermal conductivity across all considered crystal directions, with the thermal conductivity being spatially anisotropic, most pronouncedly in Tc 2 AlB 2 . Finally, we show that empirical expressions based on Slack models are well suited for screening the thermal conductivity properties of MAB phases, and can be employed to establish upper and lower limits of their thermal conductivity. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001231927600005 |
Publication Date |
2024-05-21 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.4; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:206590 |
Serial |
9286 |
| Permanent link to this record |
| |
|
| |
| Author |
Huang, S.; Houwman, E.; Gauquelin, N.; Orekhov, A.; Chezganov, D.; Verbeeck, J.; Hu, S.; Zhong, G.; Koster, G.; Rijnders, G. |
| Title |
Enhanced piezoelectricity by polarization rotation through thermal strain manipulation in PbZr0.6Ti0.4O3 thin films |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Advanced Materials Interfaces |
Abbreviated Journal |
|
| Volume |
11 |
Issue |
19 |
Pages |
2400048-2400049 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
Lead based bulk piezoelectric materials, e.g., PbZrxTi1-xO3 (PZT), are widely used in electromechanical applications, sensors, and transducers, for which optimally performing thin films are needed. The results of a multi-domain Landau-Ginzberg-Devonshire model applicable to clamped ferroelectric thin films are used to predict the lattice symmetry and properties of clamped PZT thin films on different substrates. Guided by the thermal strain phase diagrams that are produced by this model, experimentally structural transitions are observed. These can be related to changes of the piezoelectric properties in PZT(x = 0.6) thin films that are grown on CaF2, SrTiO3 (STO) and 70% PbMg1/3Nb2/3O3-30% PbTiO3 (PMN-PT) substrates by pulsed laser deposition. Through temperature en field dependent in situ X-ray reciprocal space mapping (RSMs) and piezoelectric force microscopy (PFM), the low symmetry monoclinic phase and polarization rotation are observed in the film on STO and can be linked to the measured enhanced properties. The study identifies a monoclinic -rhombohedral M-C-M-A-R crystal symmetry path as the polarization rotation mechanism. The films on CaF2 and PMN-PT remain in the same symmetry phase up to the ferroelectric-paraelectric phase transition, as predicted. These results support the validity of the multi-domain model which provides the possibility to predict the behavior of clamped, piezoelectric PZT thin films, and design films with enhanced properties. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001240425700001 |
Publication Date |
2024-06-07 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2196-7350 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
5.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 5.4; 2024 IF: 4.279 |
| Call Number |
UA @ admin @ c:irua:206593 |
Serial |
9287 |
| Permanent link to this record |
| |
|
| |
| Author |
Laureys, A.; Richardson, P.; Verhasselt, K.; Chaves, I.A.; Melchers, R.E.; Van Den Bergh, K.; Depover, T.; Verbeken, K.; Potters, G.; De Baere, K. |
| Title |
Evaluation of corrosion impeding concretion layers formed on shipwreck steel in the Belgian North Sea |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Corrosion |
Abbreviated Journal |
|
| Volume |
80 |
Issue |
5 |
Pages |
539-555 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
Steel shipwrecks buried along the Belgian and French North Sea coast have proven to show very low corrosion rates due to concretion. This work aims to provide an in-depth analysis of the formed concretion layers and gain a more complete understanding of the gradual deposition processes in the North Sea. Detailed microstructural characterization by scanning electron microscopy, energy dispersive x-ray spectroscopy, and x-ray diffraction of two different specimens demonstrates that the concretion includes a complex structure of multiple layers. Closest to the metal surface, a layer of 100% akaganeite is found. It forms from corrosion products exhibiting high Cl- ions concentrations at the metal surface. Next, other iron oxides, such as goethite, lepidocrocite, and magnetite, are observed. Then, layers that both contain corrosion products and compounds from the environment are present. These layers contain calcium carbonates (calcite and aragonite), calcium sulfate (gypsum), and quartz (sand). Moreover, due to a displacement of calcium by iron, an additional phase is formed consisting out of hard, dense siderite mixed into calcite. Finally, the surface of the concretion is covered by a biofilm. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001226688800005 |
Publication Date |
2024-05-06 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0010-9312 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
1.6 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 1.6; 2024 IF: 1.661 |
| Call Number |
UA @ admin @ c:irua:206574 |
Serial |
9288 |
| Permanent link to this record |
| |
|
| |
| Author |
Šoškić, B.N.; Bekaert, J.; Sevik, C.; Šljivančanin, Ž.; Milošević, M.V. |
| Title |
First-principles exploration of superconductivity in intercalated bilayer borophene phases |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
8 |
Issue |
6 |
Pages |
064803-64811 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We explore the emergence of phonon-mediated superconductivity in bilayer borophenes by controlled intercalation with elements from the groups of alkali, alkaline-earth, and transition metals, using systematic first-principles and Eliashberg calculations. We show that the superconducting properties are primarily governed by the interplay between the out-of-plane (????????) boron states and the partially occupied in-plane (????+????????,????) bonding states at the Fermi level. Our Eliashberg calculations indicate that intercalation with alkaline-earth-metal elements leads to the highest superconducting critical temperatures (????????). Specifically, Be in ????4, Mg in ????3, and Ca in the kagome bilayer borophene demonstrate superior performance with ???????? reaching up to 58 K. Our study therefore reveals that intercalated bilayer borophene phases are not only more resilient to chemical deterioration, but also harbor enhanced ???????? values compared to their monolayer counterparts, underscoring their substantial potential for the development of boron-based two-dimensional superconductors. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001254 |
Publication Date |
2024-06-24 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.4; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:206919 |
Serial |
9290 |
| Permanent link to this record |
| |
|
| |
| Author |
Borah, R.; Raj A.G., K.; Verbruggen, S.W. |
| Title |
Flow-by membraneless electrolyzer designs : a macroporous flow dividing mesh enhances maximum allowable electrode length |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Fuel |
Abbreviated Journal |
|
| Volume |
377 |
Issue |
|
Pages |
132779-15 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
The membraneless electrolyzer design promises a low-cost and robust electrolyzer technology, eliminating the disadvantages associated with the membranes/diaphragms in conventional electrolyzers. Flow-by membraneless electrolyzers exploit the Segré–Silberberg effect, where the electrolyte flow between parallel face-to-face cathode and anode forbids the evolving hydrogen and oxygen bubbles to cross over to the other side, while still allowing ionic currents between the electrodes to pass. The removal of the membrane from traditional electrolyzers, and instead exploiting the electrolyte flow itself to function as a gas separator also imposes certain requirements, namely: 1) upward laminar flow and, 2) vertically aligned electrodes. Given the upper limit of the laminar flow regime (Reynolds number, Re ∼ 1800), the admissible length of both vertically aligned electrodes is constrained by the production volume of H2 and O2 at both electrodes. Beyond a certain production rate the evolving gas plume increases in thickness until it reaches the central line dividing the channel between the electrodes. From that point onwards, flow mediated separation of both gases becomes practically impossible. In this work the design constraints of membraneless electrolyzers are investigated by combined multiphysics modeling and mass-balance analysis. Next, a macroporous flow dividing mesh is introduced in the design that allows seamless ionic flow between the electrodes while facilitating a higher electrolyte velocity in the laminar regime. This in turn enables to increase the maximum electrode length (or height) by >50 %. The model based analysis provides important guidelines for further development of membraneless electrolyzers, significantly reducing future experimental optimization efforts. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
|
Publication Date |
2024-08-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0016-2361 |
ISBN |
|
Additional Links |
UA library record |
| Impact Factor |
7.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 7.4; 2024 IF: 4.601 |
| Call Number |
UA @ admin @ c:irua:207729 |
Serial |
9291 |
| Permanent link to this record |
| |
|
| |
| Author |
Pompei, E.; Vlamidis, Y.; Ferbel, L.; Zannier, V.; Rubini, S.; Arenas Esteban, D.; Bals, S.; Marinelli, C.; Pfusterschmied, G.; Leitgeb, M.; Schmid, U.; Heun, S.; Veronesi, S. |
| Title |
Functionalization of three-dimensional epitaxial graphene with metal nanoparticles |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Nanoscale |
Abbreviated Journal |
|
| Volume |
16 |
Issue |
34 |
Pages |
16107-16118 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
We demonstrate the first successful functionalization of epitaxial three-dimensional graphene with metal nanoparticles. The functionalization is obtained by immersing three-dimensional graphene in a nanoparticle colloidal solution. This method is versatile and demonstrated here for gold and palladium, but can be extended to other types of nanoparticles. We have measured the nanoparticle density on the top surface and in the porous layer volume by scanning electron microscopy and scanning transmission electron microscopy. The samples exhibit a wide coverage of nanoparticles with minimal clustering. We demonstrate that high-quality graphene promotes the functionalization, leading to higher nanoparticle density both on the surface and in the pores. X-ray photoelectron spectroscopy shows the absence of contamination after the functionalization process. Moreover, it confirms the thermal stability of the Au- and Pd-functionalized three-dimensional graphene up to 530 degrees C. Our approach opens new avenues for utilizing three-dimensional graphene as a versatile platform for catalytic applications, sensors, and energy storage and conversion. We report a new technique for fabricating metal-functionalized three-dimensional epitaxial graphene on porous SiC. The process is clean and scalable. The fabricated material exhibits high chemical and thermal stability, and versatility. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001283 |
Publication Date |
2024-07-25 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2040-3364; 2040-3372 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
6.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 6.7; 2024 IF: 7.367 |
| Call Number |
UA @ admin @ c:irua:207655 |
Serial |
9292 |
| Permanent link to this record |
| |
|
| |
| Author |
Baral, P.; Kashiwar, A.; Coulombier, M.; Delannay, L.; Hoummada, K.; Raskin, J.P.; Idrissi, H.; Pardoen, T. |
| Title |
Grain boundary-mediated plasticity in aluminum films unraveled by a statistical approach combining nano-DIC and ACOM-TEM |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Acta materialia |
Abbreviated Journal |
|
| Volume |
276 |
Issue |
|
Pages |
120081-14 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Nanomechanical on-chip testing is combined with nanoscale in situ digital image correlation and automated crystal orientation mapping in TEM to deliver novel statistically representative quantitative data about the deformation mechanisms in nanocrystalline aluminum films. The films are very ductile, with a rare stable multiple necking process with local strains reaching up to 0.45 and macroscopic elongation up to 0.17. The strain fields with resolution below 100 nm are related to the underlying microstructure and crystallographic orientation maps. This reveals nanoscopic shear bands forming preferentially along GB with high misorientations, tilted at +/− 45° with respect to loading direction. The analysis of these data prove that the strong strain delocalization process is promoted by GB migration and grain rotation, leading to large strain rate sensitivity. The distribution of misorientation angles between grains evolve during deformation. The GBs with misorientation between 20° and 40°, which are the GBs with highest energy, involve the largest strains. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001258 |
Publication Date |
2024-06-04 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
1359-6454 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
9.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 9.4; 2024 IF: 5.301 |
| Call Number |
UA @ admin @ c:irua:206419 |
Serial |
9294 |
| Permanent link to this record |
| |
|
| |
| Author |
Paramasivam, S.K.; Gangadharan, S.P.; Milošević, M.V.; Perali, A. |
| Title |
High-Tc Berezinskii-Kosterlitz-Thouless transition in two-dimensional superconducting systems with coupled deep and quasiflat electronic bands with Van Hove singularities |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
110 |
Issue |
2 |
Pages |
024507-24511 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
In the pursuit of higher critical temperature of superconductivity, quasiflat electronic bands and Van Hove singularities in two dimensions (2D) have emerged as a potential approach to enhance Cooper pairing on the basis of mean-field expectations. However, these special electronic features suppress the superfluid stiffness and, hence, the Berezinskii-Kosterlitz-Thouless (BKT) transition in 2D superconducting systems, leading to the emergence of a significant pseudogap regime due to superconducting fluctuations. In the strong-coupling regime, one finds that superfluid stiffness is inversely proportional to the superconducting gap, which is the predominant factor contributing to the strong suppression of superfluid stiffness. Here we reveal that the aforementioned limitation is avoided in a 2D superconducting electronic system with a quasiflat electronic band with a strong pairing strength coupled to a deep band with weak electronic pairing strength. Owing to the multiband effects, we demonstrate a screening-like mechanism that circumvents the suppression of the superfluid stiffness. We report the optimal conditions for achieving a large enhancement of the BKT transition temperature and a substantial shrinking of the pseudogap regime by tuning the intraband couplings and the pair-exchange coupling between the two band-condensates. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001267 |
Publication Date |
2024-07-12 |
| 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 full record |
| Impact Factor |
3.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:207014 |
Serial |
9295 |
| Permanent link to this record |
| |
|
| |
| Author |
Song, Y.; Chen, M.; Xie, X.; Liu, X.; Li, J.; Peeters, F.M.; Li, L. |
| Title |
Hydrogenation-controlled band engineering of dumbbell graphene |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Nano energy |
Abbreviated Journal |
|
| Volume |
127 |
Issue |
|
Pages |
109763-15 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
| Abstract |
The stability of the dumbbell structure has been confirmed by previous theory and experiment. Based on firstprinciples calculations, we proposed hexagonal dumbbell graphene (HDB C10) and rectangular dumbbell graphene (RDB C10) monolayers containing periodically raised C (CR) atoms. They turn out to have high mobility semiconductor properties. By adsorbing H atoms on these CR atoms, their band structures can be widely tuned from semiconductor to semimetal. When considering adsorption of two/four H atoms on the unit cell of the dumbbell structure, the bandgap can be increased, and isolated flat band structures can be obtained by further adding or removing H atoms. Remarkably, two different Dirac band structures can be found in the HDB/RDB C10H2-I monolayers. The HDB C10H2-I shows a Dirac cone with isotropic Fermi velocities, while the RDB C10H2-I monolayer exhibits a quasi-one-dimensional Dirac nodal line with varying Fermi velocities along the XS path. Tight-binding (TB) models are constructed including nearest neighbor (NN) and next NN hopping in order to understand our DFT results. These TB models are related to the Su-Schrieffer-Heeger model, and are able to explain the tunable topological properties of the RDB C10H2-I monolayer. They not only are able to explain the different kinds of Fermi velocity, but also can predict the emergence of topological edge states, providing a good platform for research on Dirac fermions. The HDB/RDB C10 monolayer exhibits more freedom of tunable band structures and more stable hydrogen storage capacity, making it superior to graphene. Finally, possible experimental synthesis paths of these DB monolayers are provided. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001244362400001 |
Publication Date |
2024-05-17 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2211-2855 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
17.6 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 17.6; 2024 IF: 12.343 |
| Call Number |
UA @ admin @ c:irua:206621 |
Serial |
9296 |
| Permanent link to this record |
| |
|
| |
| Author |
Folkers, B.; Jansen, T.; Roskamp, T.J.; Reith, P.; Timmermans, A.; Jannis, D.; Gauquelin, N.; Verbeeck, J.; Hilgenkamp, H.; Rosario, C.M.M. |
| Title |
Imaging the suppression of ferromagnetism in LaMnO₃ by metallic overlayers |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
8 |
Issue |
5 |
Pages |
054408-6 |
| Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
| Abstract |
LaMnO 3 (LMO) thin films epitaxially grown on SrTiO 3 (STO) usually exhibit ferromagnetism above a critical layer thickness. We report the use of scanning SQUID microscopy (SSM) to study the suppression of the ferromagnetism in STO / LMO / metal structures. By partially covering the LMO surface with a metallic layer, both covered and uncovered LMO regions can be studied simultaneously. While Au does not significantly influence the ferromagnetic order of the underlying LMO film, a thin Ti layer induces a strong suppression of the ferromagnetism, over tens of nanometers, which increases with time on a timescale of days. Detailed electron energy loss spectroscopy analysis of the Ti-LaMnO 3 interface reveals the presence of Mn 2 + and an evolution of the Ti valence state from Ti 0 to Ti 4 + over approximately 5 nm. Furthermore, we demonstrate that by patterning Ti / Au overlayers, we can locally suppress the ferromagnetism and define ferromagnetic structures down to sub -micrometer scales. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001239765800005 |
Publication Date |
2024-05-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.4; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:206555 |
Serial |
9297 |
| Permanent link to this record |
| |
|
| |
| Author |
Chen, X.; Dong, X.; Zhang, C.; Zhu, M.; Ahmed, E.; Krishnamurthy, G.; Rouzbahani, R.; Pobedinskas, P.; Gauquelin, N.; Jannis, D.; Kaur, K.; Hafez, A.M.E.; Thiel, F.; Bornemann, R.; Engelhard, C.; Schoenherr, H.; Verbeeck, J.; Haenen, K.; Jiang, X.; Yang, N. |
| Title |
Interlayer affected diamond electrochemistry |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Small methods |
Abbreviated Journal |
|
| Volume |
|
Issue |
|
Pages |
2301774 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) |
| Abstract |
Diamond electrochemistry is primarily influenced by quantities of sp3-carbon, surface terminations, and crystalline structure. In this work, a new dimension is introduced by investigating the effect of using substrate-interlayers for diamond growth. Boron and nitrogen co-doped nanocrystalline diamond (BNDD) films are grown on Si substrate without and with Ti and Ta as interlayers, named BNDD/Si, BNDD/Ti/Si, and BNDD/Ta/Ti/Si, respectively. After detailed characterization using microscopies, spectroscopies, electrochemical techniques, and density functional theory simulations, the relationship of composition, interfacial structure, charge transport, and electrochemical properties of the interface between diamond and metal is investigated. The BNDD/Ta/Ti/Si electrodes exhibit faster electron transfer processes than the other two diamond electrodes. The interlayer thus determines the intrinsic activity and reaction kinetics. The reduction in their barrier widths can be attributed to the formation of TaC, which facilitates carrier tunneling, and simultaneously increases the concentration of electrically active defects. As a case study, the BNDD/Ta/Ti/Si electrode is further employed to assemble a redox-electrolyte-based supercapacitor device with enhanced performance. In summary, the study not only sheds light on the intricate relationship between interlayer composition, charge transfer, and electrochemical performance but also demonstrates the potential of tailored interlayer design to unlock new capabilities in diamond-based electrochemical devices. Diamond electrochemistry is revealed to be affected by the interlayers between boron/nitrogen co-doped nanocrystalline diamond (BNDD) film and a Si substrate. A BNDD/Ta/Ti/Si electrode exhibits faster electron transfer processes and smaller electron transfer resistance of redox probes for [Fe(CN)6]3-/4- and [Ru(NH3)6]3+/2+ than the other electrodes, because the interlayer thus determines the intrinsic activity and reaction kinetics of diamond films. image |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001247280600001 |
Publication Date |
2024-06-14 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2366-9608 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
12.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 12.4; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:206567 |
Serial |
9298 |
| Permanent link to this record |
| |
|
| |
| Author |
Cheng, X.; Xu, W.; Wen, H.; Zhang, J.; Zhang, H.; Li, H.; Peeters, F.M. |
| Title |
Key electronic parameters of 2H-stacking bilayer MoS₂ on sapphire substrate determined by terahertz magneto-optical measurement in Faraday geometry |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Frontiers of physics |
Abbreviated Journal |
|
| Volume |
19 |
Issue |
6 |
Pages |
63204-63209 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Bilayer (BL) transition metal dichalcogenides (TMDs) are important materials in valleytronics and twistronics. Here we study terahertz (THz) magneto-optical (MO) properties of n-type 2H-stacking BL molybdenum sulfide (MoS2) on sapphire substrate grown by chemical vapor deposition. The AFM, Raman spectroscopy and photoluminescence are used for characterization of the samples. Applying THz time-domain spectroscopy (TDS), in combination with polarization test and the presence of magnetic field in Faraday geometry, THz MO transmissions through the sample are measured from 0 to 8 T at 80 K. The complex right- and left-handed circular MO conductivities for 2H-stacking BL MoS2 are obtained. Through fitting the experimental results with theoretical formula of MO conductivities for an electron gas, generalized by us previously through the inclusion of photon-induced electronic backscattering effect, we are able to determine magneto-optically the key electronic parameters of BL MoS2, such as the electron density n(e), the electronic relaxation time tau, the electronic localization factor c and, particularly, the effective electron mass m* around Q-point in between the K- and Gamma-point in the electronic band structure. The dependence of these parameters upon magnetic field is examined and analyzed. This is a pioneering experimental work to measure m* around the Q-point in 2H-stacking BL MoS2 and the experimental value is very close to that obtained theoretically. We find that n(e)/tau/ divided by c divided by /m* in 2H-stacking BL MoS2 decreases/increases/decreases/increases with increasing magnetic field. The results obtained from this study can be benefit to us in gaining an in-depth understanding of the electronic and optoelectronic properties of BL TMD systems. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001271 |
Publication Date |
2024-07-18 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2095-0462; 2095-0470 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
7.5 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 7.5; 2024 IF: 2.579 |
| Call Number |
UA @ admin @ c:irua:207600 |
Serial |
9300 |
| Permanent link to this record |
| |
|
| |
| Author |
Liu, J.; Xu, W.; Xiao, Y.M.; Ding, L.; Li, H.W.; Van Duppen, B.; Milošević, M.V.; Peeters, F.M. |
| Title |
Longitudinal and transverse mobilities of n-type monolayer transition metal dichalcogenides in the presence of proximity-induced interactions at low temperature |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
109 |
Issue |
19 |
Pages |
195418-14 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We present a detailed theoretical investigation on the electronic transport properties of n-type monolayer (ML) transition metal dichalcogenides (TMDs) at low temperature in the presence of proximity-induced interactions such as Rashba spin-orbit coupling (RSOC) and the exchange interaction. The electronic band structure is calculated by solving the Schr & ouml;dinger equation with a k <middle dot> p Hamiltonian, and the electric screening induced by electron-electron interaction is evaluated under a standard random phase approximation approach. In particular, the longitudinal and transverse or Hall mobilities are calculated by using a momentum-balance equation derived from a semiclassical Boltzmann equation, where the electron-impurity interaction is considered as the principal scattering center at low temperature. The obtained results show that the RSOC can induce the in-plane spin components for spin-split subbands in different valleys, while the exchange interaction can lift the energy degeneracy for electrons in different valleys. The opposite signs of Berry curvatures in the two valleys would introduce opposite directions of Lorentz force on valley electrons. As a result, the transverse currents from nondegenerate valleys can no longer be canceled out so that the transverse current or Hall mobility can be observed. Interestingly, we find that at a fixed effective Zeeman field, the lowest spin-split conduction subband in ML-TMDs can be tuned from one in the K'-valley to one in the K-valley by varying the Rashba parameter. The occupation of electrons in different valleys also varies with changing carrier density. Therefore, we can change the magnitude and direction of the Hall current by varying the Rashba parameter, effective Zeeman field, and carrier density by, e.g., the presence of a ferromagnetic substrate and/or applying a gate voltage. By taking the ML-MoS2 as an example, these effects are demonstrated and examined. The important and interesting theoretical findings can be beneficial to experimental observation of the valleytronic effect and to gaining an in-depth understanding of the ML-TMD systems in the presence of proximity-induced interactions. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001237245700001 |
Publication Date |
2024-05-08 |
| 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 |
| Impact Factor |
3.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:206596 |
Serial |
9302 |
| Permanent link to this record |
| |
|
| |
| Author |
Miao, X.; Milošević, M.; Zhang, C. |
| Title |
Magnetic ferroelectric metal in bilayer Fe₃GeTe₂ under interlayer sliding |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physica: B : condensed matter |
Abbreviated Journal |
|
| Volume |
694 |
Issue |
|
Pages |
416427-5 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The inherent interlayer freedom in van der Waals stacked materials provides an excellent opportunity to investigate ferroelectric-like behavior through interlayer translation. Based on first-principles calculations, we find that the interlayer sliding in Fe3GeTe2 (FGT) bilayer enables the coexistence of polarization, metallicity, and ferromagnetism. We find that the polarization is induced by the uncompensated vertical interlayer charge transfer, and can be switched by an in-plane interlayer sliding. A moderate biaxial strain can reverse the polarization direction of the sliding FGT bilayer. The vertical polarization disentangles with the in-plane conductivity as was previously seen in the sliding ferroelectric WTe2 bilayer. Our work proposes an extremely rare magnetic ferroelectric metal phase that is useful for magnetoelectric and spintronic applications. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001300 |
Publication Date |
2024-08-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
0921-4526; 1873-2135 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.8 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.8; 2024 IF: 1.386 |
| Call Number |
UA @ admin @ c:irua:208567 |
Serial |
9304 |
| Permanent link to this record |
| |
|
| |
| Author |
Li, Y.; Xiao, Y.M.; Xu, W.; Ding, L.; Milošević, M.V.; Peeters, F.M. |
| Title |
Magneto-optical conductivity of monolayer transition metal dichalcogenides in the presence of proximity-induced exchange interaction and external electrical field |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review B |
Abbreviated Journal |
|
| Volume |
109 |
Issue |
16 |
Pages |
165441-14 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
We theoretically investigate the magneto-optical (MO) properties of monolayer (ML) transition metal dichalcogenides (TMDs) in the presence of external electrical and quantizing magnetic fields and of the proximity-induced exchange interaction. The corresponding Landau Level (LL) structure is studied by solving the Schr & ouml;dinger equation and the spin polarization in ML-TMDs under the action of the magnetic field is evaluated. The impact of trigonal warping on LLs and MO absorption is examined. Furthermore, the longitudinal MO conductivity is calculated through the dynamical dielectric function under the standard random-phase approximation (RPA) with the Kubo formula. We take ML-MoS 2 as an example to examine the effects of proximity-induced exchange interaction, external electrical and magnetic fields on the MO conductivity induced via intra- and interband electronic transitions among the LLs. For intraband electronic transitions within the conduction or valence bands, we can observe two absorption peaks in terahertz (THz) frequency range. While the interband electronic transitions between conduction and valence LLs show a series of absorption peaks in the visible range. We find that the proximity-induced exchange interaction, the carrier density, the strengths of the external electrical and magnetic fields can effectively modulate the positions of the absorption peaks and the shapes of the MO absorption spectra. The results obtained from this study can benefit to an in-depth understanding of the MO properties of ML-TMDs which can be potentially applied for magneto-optic, spintronic, and valleytronic devices working in visible to THz frequency bandwidths. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001231884200004 |
Publication Date |
2024-04-26 |
| 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 |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.7; 2024 IF: 3.836 |
| Call Number |
UA @ admin @ c:irua:206589 |
Serial |
9305 |
| Permanent link to this record |
| |
|
| |
| Author |
Tian, X.; Xie, X.; Li, J.; Kong, X.; Gong, W.-J.; Peeters, F.M.; Li, L. |
| Title |
Multiferroic ScLaX₂ (X = P, As, and Sb) monolayers : bidirectional negative Poisson's ratio effects and phase transformations driven by rare-earth (main-group) elements |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
8 |
Issue |
8 |
Pages |
084407-84411 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
The combination of auxetic property, ferroelasticity, and ferroelectricity in two-dimensional materials offers new avenues for next-generation multifunctional devices. However, two-dimensional materials that simultaneously exhibit those properties are rarely reported. Here, we present a class of two-dimensional Janus-like structures ScLaX2 X 2 (X X = P, As, and Sb) with a rectangular lattice based on first-principles calculations. We predict that those ScLaX2 X 2 monolayers are stable semiconductors with both intrinsic in-plane and out-of-plane auxetic properties, showing a bidirectional negative Poisson's ratio effect. The value of the out-of-plane negative Poisson's ratio effect can reach – 2.28 /- 3.06 /- 3.89. By applying uniaxial strain engineering, two transition paths can be found, including the VA main group element path and the rare-earth metal element path, corresponding to the ferroelastic and the multiferroic (ferroelastic and ferroelectric) phase transition, respectively. For the ScLaSb2 2 monolayer, the external force field can not only control the ferroelastic phase transition, but it can also lead to the reversal of the out-of-plane polarization, exhibiting potential multiferroicity. The coupling between the bidirectional negative Poisson's ratio effect and multiferroicity makes the ScLaX2 X 2 monolayers promising for future device applications. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001293 |
Publication Date |
2024-08-13 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.4; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:207592 |
Serial |
9306 |
| Permanent link to this record |
| |
|
| |
| Author |
Ermiş, T.; Şen, A.O.; Gielis, J. |
| Title |
A new approach to circular inversion in l₁-normed spaces |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Symmetry |
Abbreviated Journal |
|
| Volume |
16 |
Issue |
7 |
Pages |
874-879 |
| Keywords |
A1 Journal article; Engineering sciences. Technology; Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
While there are well-known synthetic methods in the literature for finding the image of a point under circular inversion in l2-normed geometry (Euclidean geometry), there is no similar synthetic method in Minkowski geometry, also known as the geometry of finite-dimensional Banach spaces. In this study, we have succeeded in creating a synthetic construction of the circular inversion in l1-normed spaces, which is one of the most fundamental examples of Minkowski geometry. Moreover, this synthetic construction has been given using the Euclidean circle, independently of the l1-norm. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
001278345600001 |
Publication Date |
2024-07-12 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2073-8994 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
2.7 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 2.7; 2024 IF: 1.457 |
| Call Number |
UA @ admin @ c:irua:207314 |
Serial |
9307 |
| Permanent link to this record |
| |
|
| |
| Author |
Tunca, S.; Parrilla, M.; Raj, K.; Nuyts, G.; Verbruggen, S.W.; De Wael, K. |
| Title |
Nickel hydroxide nanosphere decorated reduced-TiO₂ nanotubes as supercapacitor electrodes |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Electrochimica acta |
Abbreviated Journal |
|
| Volume |
505 |
Issue |
|
Pages |
144990-11 |
| Keywords |
A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab); Antwerp engineering, PhotoElectroChemistry & Sensing (A-PECS) |
| Abstract |
A straightforward electrochemical method was developed to modify titanium dioxide nanotubes (TiO2 NTs), creating oxygen vacancies via electrochemical reduction (ER) and depositing nickel hydroxide nanospheres (Ni (OH)2 NSs). This was done to discover the electrochemical properties of a TiO2 NTs based binder-free supercapacitor electrode. The improved conductivity of the reduced TiO2 NTs (R-TiO2 NTs) electrode provided a 90fold increase in the specific capacitance compared to that of pristine TiO2 NTs. R-TiO2 NTs were further decorated with Ni(OH)2 NSs by an electrodeposition method to further improve the supercapacitive performance. Fabricated R-TiO2 NTs/Ni(OH)2 electrodes exhibited a high areal specific capacitance value of 305.91 mF/cm2 at a current density of 0.75 mA/cm2. The modified electrode shows an improved charge-storage capacity compared to the TiO2 NTs/Ni(OH)2 electrodes, and to previously reported 1D-TiO2/Ni(OH)2 nanocomposite structures. Furthermore, the proposed electrode showed good cyclic stability by retaining 71% of its initial capacitance after 1500 cycles and a promising rate capability with a capacitive retention of 86% while increasing the current density from 0.75 to 5 mA/cm2. Overall, the ER step proved to improve the conductivity of the R-TiO2 NTs, which favors the deposition of the Ni(OH)2 NSs and promotes the Faradaic reactions at the electrode-electrolyte interface demonstrating a promising supercapacitor electrode material. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001309 |
Publication Date |
2024-08-30 |
| 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 |
|
| Notes |
|
Approved |
Most recent IF: 6.6; 2024 IF: 4.798 |
| Call Number |
UA @ admin @ c:irua:208529 |
Serial |
9308 |
| Permanent link to this record |
| |
|
| |
| Author |
Kandemir, Z.; D'Amico, P.; Sesti, G.; Cardoso, C.; Milošević, M.V.; Sevik, C. |
| Title |
Optical properties of metallic MXene multilayers through advanced first-principles calculations |
Type |
A1 Journal article |
| Year |
2024 |
Publication |
Physical review materials |
Abbreviated Journal |
|
| Volume |
8 |
Issue |
7 |
Pages |
075201-75210 |
| Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
| Abstract |
Having a strong electromagnetic absorption, MXene multilayers are readily envisaged for applications in electromagnetic shields and related prospective technology. However, an ab initio characterization of the optical properties of MXenes is still lacking, due in part to major difficulties with the treatment of metallicity in the first-principles approaches. Here we addressed the latter challenge, after a careful treatment of intraband transitions, to present a thorough analysis of the electronic and optical properties of a selected set of metallic MXene layers based on density functional theory (DFT) and many-body perturbation theory calculations. Our results reveal that the GW corrections are particularly important in regions of the band structure where d and p states hybridize. For some systems, we show that GW corrections open a gap between occupied states, resulting in a band structure that closely resembles that of an intrinsic transparent conductor, thereby opening an additional line of prospective applications for the MXenes family. Nevertheless, GW and Bethe-Salpeter corrections have a minimal influence on the absorption spectra, in contrast to what is typically observed in semiconductor layers. Our present results suggest that calculations within the independent particle approximation (IPA) calculations are sufficiently accurate for assessing the optical characteristics of bulk-layered MXene materials. Finally, our calculated dielectric properties and absorption spectra, in agreement with existing experimental data, confirm the potential of MXenes as effective infrared emitters. |
| Address |
|
| Corporate Author |
|
Thesis |
|
| Publisher |
|
Place of Publication |
|
Editor |
|
| Language |
|
Wos |
https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=brocade2&SrcAuth=WosAPI&KeyUT=WOS:001275 |
Publication Date |
2024-07-22 |
| Series Editor |
|
Series Title |
|
Abbreviated Series Title |
|
| Series Volume |
|
Series Issue |
|
Edition |
|
| ISSN |
2475-9953 |
ISBN |
|
Additional Links |
UA library record; WoS full record |
| Impact Factor |
3.4 |
Times cited |
|
Open Access |
|
| Notes |
|
Approved |
Most recent IF: 3.4; 2024 IF: NA |
| Call Number |
UA @ admin @ c:irua:207597 |
Serial |
9309 |
| Permanent link to this record |
