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Author Soenen, M.; Bacaksiz, C.; Menezes, R.M.; Milošević, M.V.
Title Stacking-dependent topological magnons in bilayer CrI₃ Type A1 Journal article
Year 2023 Publication Physical review materials Abbreviated Journal
Volume 7 Issue 2 Pages 024421-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Motivated by the potential of atomically thin magnets towards achieving tunable high-frequency magnonics, we detail the spin-wave dispersion of bilayer CrI3. We demonstrate that the magnonic behavior of the bilayer strongly depends on its stacking configuration and the interlayer magnetic ordering, where a topological band gap opens in the dispersion caused by the Dzyaloshinskii-Moriya and Kitaev interactions, classifying bilayer CrI3 as a topological magnon insulator. We further reveal that both the size and the topology of the band gap in a CrI3 bilayer with an antiferromagnetic interlayer ordering are tunable by an external magnetic field.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000943169600001 Publication Date 2023-02-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.4; 2023 IF: NA
Call Number UA @ admin @ c:irua:195179 Serial (down) 7338
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Author Khan, S.U.
Title Singlet oxygen-based photoelectrocatalysis : from photosensitizer structures to plasmonic enhancement Type Doctoral thesis
Year 2023 Publication Abbreviated Journal
Volume Issue Pages 182 p.
Keywords Doctoral thesis; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Singlet molecular oxygen (1O2) has continuously attracted researchers' interest because of its involvement in various processes, such as in photodynamic reactions in biological and chemical systems. 1O2 is an effective electrophile and potent oxidizing agent and can be easily generated by photosensitization via the illumination of organic dyes with visible light. As described in Chapter 1, 1O2 has gained prominence in various applications such as wastewater treatment, photodynamic therapy of cancer, organic synthesis, and recently developed 1O2-based photoelectrochemical (PEC) sensing of phenolic compounds. Phenolic compounds are a potential source of contaminants that originates from industrial effluents and waste products of chemical and pharmaceutical industries. These phenolic compounds pose severe threats to humans and aquatic life after reaching the environment. Therefore, it is imperative to develop photoactive materials that efficiently generate 1O2 and oxidize phenolic compounds and antibiotics. The existing 1O2 generating photosensitizers (PSs) include porphyrins, phthalocyanines (Pcs), subphthalocyanines (SubPcs), and other dyes such as derivatives of xanthene (e.g., Rose Bengal (RB)), and fluorinated boron-dipyrromethene (BODIPYs), and phenothiazinium dyes (e. g. Methylene Blue (MB)) which display long-lived triplet excited state and can be used in 1O2-based applications. This thesis focuses on preparing efficient hybrid materials based on newly synthesized Pcs, different surface area titanium dioxide (TiO2) and plasmonic gold nanoparticles (AuNPs) for their use in the PEC detection of phenolic compounds. The first focus was on developing a fast amperometric method to test the photo-electrocatalytic activity of 1O2 producing PSs dissolved in MeOH based on the redox cycling of an electroactive phenolic compound, hydroquinone (HQ) (Chapter 2). This method of testing PSs does not require the accumulation of a reaction product since the amperometric signal develops near instantly when the light is on, which enables dynamic monitoring of a PSs activity at varying conditions in a single experiment. This method was crucial to measure high 1O2 quantum yield and low yield in the same experimental conditions. Moreover, the obtained results revealed a range of working parameters affecting the PEC activity of PSs. The next goal was to immobilize tert-butyl substituted aluminum Pc (t-BuPcAlCl) on the solid support, which showed a high 1O2 quantum yield. However, before immobilizing Pc on a solid support such as TiO2, it is essential to know the electronic energy level of Pcs for the possible electron transfers from Pcs to TiO2. Therefore, Chapter 3 explored the (spectro)electrochemical properties of t-BuPcAlCl Pc. Next, in Chapter 4, t-BuPcAlCl Pc and other tert-butyl substituted Pcs with Zn central metal, t-BuPcZn, and its metal-free derivative t-BuPcH2 were immobilized on different surface area TiO2. The PEC activity of immobilized Pcs on TiO2 toward different phenols and antibiotics was studied, and the action mechanism was revealed and compared with sterically hindered fluorinated Pc F64PcZn. In the final part of this thesis plasmonic AuNPs were introduced combined with trimethylsilane-protected acetylene functionalized ZnPc (TMSZnPc) to study the synergistic effect that boosts the overall activity toward the detection of phenols under visible light illumination (Chapter 5) . The TMSZnPc was coupled with AuNPs via a click chemistry approach. The 1O2 quantum yield of TMSZnPc improved significantly after conjugating with AuNPs, and, subsequently, the PEC activity for detecting HQ. The theoretical and experimental investigation demonstrated that the plasmonic enhancement of TMSZnPc is driven by the near-field mechanism. This shows the importance of plasmonic AuNPs with other photoactive species for their use in 1O2-based applications. The fundamental knowledge obtained in this doctoral study will ultimately deepen the understanding of developing 1O2-based PEC sensors for detecting phenolic compounds and pharmaceuticals in the wastewater stream, helping to choose efficient materials and, in the last instance, a more sustainable future especially access to clean water for everyone.
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:193342 Serial (down) 7337
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Author Borah, R.; Ag, K.R.; Minja, A.C.; Verbruggen, S.W.
Title A review on self‐assembly of colloidal nanoparticles into clusters, patterns, and films : emerging synthesis techniques and applications Type A1 Journal article
Year 2023 Publication Small methods Abbreviated Journal
Volume Issue Pages 1-32
Keywords A1 Journal article; Engineering sciences. Technology
Abstract The colloidal synthesis of functional nanoparticles has gained tremendous scientific attention in the last decades. In parallel to these advancements, another rapidly growing area is the self-assembly or self-organization of these colloidal nanoparticles. First, the organization of nanoparticles into ordered structures is important for obtaining functional interfaces that extend or even amplify the intrinsic properties of the constituting nanoparticles at a larger scale. The synthesis of large-scale interfaces using complex or intricately designed nanostructures as building blocks, requires highly controllable self-assembly techniques down to the nanoscale. In certain cases, for example, when dealing with plasmonic nanoparticles, the assembly of the nanoparticles further enhances their properties by coupling phenomena. In other cases, the process of self-assembly itself is useful in the final application such as in sensing and drug delivery, amongst others. In view of the growing importance of this field, this review provides a comprehensive overview of the recent developments in the field of nanoparticle self-assembly and their applications. For clarity, the self-assembled nanostructures are classified into two broad categories: finite clusters/patterns, and infinite films. Different state-of-the-art techniques to obtain these nanostructures are discussed in detail, before discussing the applications where the self-assembly significantly enhances the performance of the process.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000940393200001 Publication Date 2023-03-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2366-9608 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 12.4; 2023 IF: NA
Call Number UA @ admin @ c:irua:194597 Serial (down) 7336
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Author Ciocarlan, R.-G.; Blommaerts, N.; Lenaerts, S.; Cool, P.; Verbruggen, S.W.
Title Recent trends in plasmon‐assisted photocatalytic CO₂ reduction Type A1 Journal article
Year 2023 Publication Chemsuschem Abbreviated Journal
Volume 16 Issue 5 Pages e202201647-25
Keywords A1 Journal article; Engineering sciences. Technology; Laboratory of adsorption and catalysis (LADCA)
Abstract Direct photocatalytic reduction of CO2 has become an highly active field of research. It is thus of utmost importance to maintain an overview of the various materials used to sustain this process, find common trends, and, in this way, eventually improve the current conversions and selectivities. In particular, CO2 photoreduction using plasmonic photocatalysts under solar light has gained tremendous attention, and a wide variety of materials has been developed to reduce CO2 towards more practical gases or liquid fuels (CH4, CO, CH3OH/CH3CH2OH) in this manner. This Review therefore aims at providing insights in current developments of photocatalysts consisting of only plasmonic nanoparticles and semiconductor materials. By classifying recent studies based on product selectivity, this Review aims to unravel common trends that can provide effective information on ways to improve the photoreduction yield or possible means to shift the selectivity towards desired products, thus generating new ideas for the way forward.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000926901300001 Publication Date 2023-01-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1864-5631 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 8.4; 2023 IF: 7.226
Call Number UA @ admin @ c:irua:193633 Serial (down) 7335
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Author De Kerf, T.; Gestels, A.; Janssens, K.; Scheunders, P.; Steenackers, G.; Vanlanduit, S.
Title Quantitative detection of corrosion minerals in carbon steel using shortwave infrared hyperspectral imaging Type A1 Journal article
Year 2022 Publication RSC advances Abbreviated Journal Rsc Adv
Volume 12 Issue 50 Pages 32775-32783
Keywords A1 Journal article; Engineering sciences. Technology; Vision lab; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract This study presents a novel method for the detection and quantification of atmospheric corrosion products on carbon steel. Using hyperspectral imaging (HSI) in the short-wave infrared range (SWIR) (900-1700 nm), we are able to identify the most common corrosion minerals such as: alpha-FeO(OH) (goethite), gamma-FeO(OH) (lepidocrocite), and gamma-Fe2O3 (maghemite). Six carbon steel samples were artificially corroded in a salt spray chamber, each sample with a different duration (between 1 h and 120 hours). These samples were analysed by scanning X-ray diffraction (XRD) and also using a SWIR HSI system. The XRD data is used as baseline data. A random forest regression algorithm is used for training on the combined XRD and HSI data set. Using the trained model, we can predict the abundance map based on the HSI images alone. Several image correlation metrics are used to assess the similarity between the original XRD images and the HSI images. The overall abundance is also calculated and compared for XRD and HSI images. The analysis results show that we are able to obtain visually similar images, with error rates ranging from 3.27 to 13.37%. This suggests that hyperspectral imaging could be a viable tool for the study of corrosion minerals.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000885554600001 Publication Date 2022-11-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2046-2069 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9
Call Number UA @ admin @ c:irua:192085 Serial (down) 7334
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Author Hillen, M.; Sels, S.; Ribbens, B.; Verspeek, S.; Janssens, K.; Van der Snickt, G.; Steenackers, G.
Title Qualitative Comparison of Lock-in Thermography (LIT) and Pulse Phase Thermography (PPT) in Mid-Wave and Long-Wave Infrared for the Inspection of Paintings Type A1 Journal article
Year 2023 Publication Applied Sciences Abbreviated Journal Appl Sci-Basel
Volume 13 Issue 7 Pages 1-13
Keywords A1 Journal article; Engineering sciences. Technology; Art; Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract When studying paintings with active infrared thermography (IRT), minimizing the temperature fluctuations and thermal shock during a measurement becomes important. Under these conditions, it might be beneficial to use lock-in thermography instead of the conventionally used pulse thermography (PT). This study compared the observations made with lock-in thermography (LIT) and pulse phase thermography (PPT) with halogen light excitation. Three distinctly different paintings were examined. The LIT measurements caused smaller temperature fluctuations and, overall, the phase images appeared to have a higher contrast and less noise. However, in the PPT phase images, the upper paint layer was less visible, an aspect which is of particular interest when trying to observe subsurface defects or the structure of the support. The influence of the spectral range of the cameras on the results was also investigated. All measurements were taken with a mid-wave infrared (MWIR) and long wave infrared (LWIR) camera. The results show that there is a significant number of direct reflection artifacts, caused by the use of the halogen light sources when using the MWIR camera. Adding a long-pass filter to the MWIR camera eliminated most of these artifacts. All results are presented in a side-by-side comparison.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000972133900001 Publication Date 2023-03-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2076-3417 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 1.679
Call Number UA @ admin @ c:irua:194898 Serial (down) 7333
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Author Segura, P.C.; De Meur, Q.; Alloul, A.; Tanghe, A.; Onderwater, R.; Vlaeminck, S.E.; Vande Wouwer, A.; Wattiez, R.; Dewasme, L.; Leroy, B.
Title Preferential photoassimilation of volatile fatty acids by purple non-sulfur bacteria : experimental kinetics and dynamic modelling Type A1 Journal article
Year 2022 Publication Biochemical engineering journal Abbreviated Journal Biochem Eng J
Volume 186 Issue Pages 108547-10
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Purple non-sulfur bacteria (PNSB) are known for their metabolic versatility and thrive as anoxygenic photoheterotrophs. In environmental engineering and resource recovery, cells would grow on mixtures of volatile fatty acids (VFA) generated by anaerobic fermentation of waste streams. In this study, we aim to better understand the behavior of Rhodospirillum rubrum, a model PNSB species, grown using multiple VFA as carbon sources. We highlighted that assimilation of individual VFA follows a sequential pattern. Based on observations in other PNSB, this seems to be specific to isocitrate lyase-lacking organisms. We hypothesized that the inhibition phenomenon could be due to the regulation of the metabolic fluxes in the substrate cycle between acetoacetyl-CoA and crotonyl-CoA. Developed macroscopic dynamic models showed a good predictive capability for substrate competition for every VFA mixture containing acetate, propionate, and/or butyrate. These novel insights provide valuable input for better design and operation of PNSB-based waste treatment solutions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000891992900005 Publication Date 2022-07-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1369-703x; 1873-295x ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9
Call Number UA @ admin @ c:irua:192741 Serial (down) 7332
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Author Spaeth, P.; Adhikari, S.; Heyvaert, W.; Zhuo, X.; Garcia, I.; Liz-Marzan, L.M.; Bals, S.; Orrit, M.; Albrecht, W.
Title Photothermal circular dichroism measurements of single chiral gold nanoparticles correlated with electron tomography Type A1 Journal article
Year 2022 Publication ACS Photonics Abbreviated Journal Acs Photonics
Volume 9 Issue 12 Pages 3995-4004
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Chemically synthesized metal nanoparticles with morphological chiral features are known to exhibit strong circular dichroism. However, we still lack understanding of the correlation between morphological and chiroptical features of plasmonic nanoparticles. To shed light on that question, single nanoparticle experiments are required. We performed photothermal circular dichroism measurements of single chiral and achiral gold nanoparticles and correlated the chiroptical response to the 3D morphology of the same nanoparticles retrieved by electron tomography. In contrast to an ensemble measurement, we show that individual particles within the ensemble display a broad distribution of strength and handedness of circular dichroism signals. Whereas obvious structural chiral features, such as helical wrinkles, translate into chiroptical ones, nanoparticles with less obvious chiral morphological features can also display strong circular dichroism signals. Interestingly, we find that even seemingly achiral nanoparticles can display large g-factors. The origin of this circular dichroism signal is discussed in terms of plasmonics and other potentially relevant factors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000884432100001 Publication Date 2022-11-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 7 Times cited 5 Open Access OpenAccess
Notes This work was supported by The Netherlands Organisation for Scientific Research (NWO) as part of the Open Technology Program (OTP, Project No. 16008) and by a Spinoza prize (M.O.) . W.A. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 Program (Grant No. 797153, SOPMEN) . L.M.L.M. acknowledges funding from MCIN/AEI/10.13039/501100011033 (Grants PID2020-117779RB-I00 and MDM-2017-0720) . We thank Dr. Wolfgang L?fer for providing optical equipment. We also acknowledge the European Soft Matter Infrastructure (EUSMI: E201200468) . Approved Most recent IF: 7
Call Number UA @ admin @ c:irua:192098 Serial (down) 7331
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Author Cai, J.; Griffin, E.; Guarochico-Moreira, V.; Barry, D.; Xin, B.; Huang, S.; Geim, A.K.; Peeters, F.M.; Lozada-Hidalgo, M.
Title Photoaccelerated water dissociation across one-atom-thick electrodes Type A1 Journal article
Year 2022 Publication Nano letters Abbreviated Journal Nano Lett
Volume 22 Issue 23 Pages 9566-9570
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Recent experiments demonstrated that interfacial water dissociation (H2O ⇆ H+ + OH-) could be accelerated exponentially by an electric field applied to graphene electrodes, a phenomenon related to the Wien effect. Here we report an order-of-magnitude acceleration of the interfacial water dissociation reaction under visible-light illumination. This process is accompanied by spatial separation of protons and hydroxide ions across one-atom-thick graphene and enhanced by strong interfacial electric fields. The found photoeffect is attributed to the combination of graphene's perfect selectivity with respect to protons, which prevents proton-hydroxide recombination, and to proton transport acceleration by the Wien effect, which occurs in synchrony with the water dissociation reaction. Our findings provide fundamental insights into ion dynamics near atomically thin proton-selective interfaces and suggest that strong interfacial fields can enhance and tune very fast ionic processes, which is of relevance for applications in photocatalysis and designing reconfigurable materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000892112200001 Publication Date 2022-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.8 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 10.8
Call Number UA @ admin @ c:irua:192759 Serial (down) 7330
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Author Pandey, T.; Du, M.-H.; Parker, D.S.; Lindsay, L.
Title Origin of ultralow phonon transport and strong anharmonicity in lead-free halide perovskites Type A1 Journal article
Year 2022 Publication Materials Today Physics Abbreviated Journal
Volume 28 Issue Pages 100881-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract All-inorganic lead-free halide double perovskites offer a promising avenue toward non-toxic, stable optoelec-tronic materials, properties that are missing in their prominent lead-containing counterparts. Their large ther-mopowers and high carrier mobilities also make them promising for thermoelectric applications. Here, we present a first-principles study of the lattice vibrations and thermal transport behaviors of Cs2SnI6 and gamma-CsSnI3, two prototypical compounds in this materials class. We show that conventional static zero temperature density functional theory (DFT) calculations severely underestimate the lattice thermal conductivities (kappa l) of these compounds, indicating the importance of dynamical effects. By calculating anharmonic renormalized phonon dispersions, we show that some optic phonons significantly harden with increasing temperature (T), which reduces the scattering of heat carrying phonons and enhances calculated kappa l values when compared with standard zero temperature DFT. Furthermore, we demonstrate that coherence contributions to kappa l, arising from wave like phonon tunneling, are important in both compounds. Overall, calculated kappa l with temperature-dependent inter-atomic force constants, built from particle and coherence contributions, are in good agreement with available measured data, for both magnitude and temperature dependence. Large anharmonicity combined with low phonon group velocities yield ultralow kappa l values, with room temperature values of 0.26 W/m-K and 0.72 W/m-K predicted for Cs2SnI6 and gamma-CsSnI3, respectively. We further show that the lattice dynamics of these compounds are highly anharmonic, largely mediated by rotation of the SnI6 octahedra and localized modes originating from Cs rattling motion. These thermal characteristics combined with their previously computed excellent electronic properties make these perovskites promising candidates for optoelectronic and room temperature thermoelectric applications.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000876484300002 Publication Date 2022-10-10
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2542-5293 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.5 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 11.5
Call Number UA @ admin @ c:irua:192139 Serial (down) 7329
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Author Han, S.; Tang, C.S.; Li, L.; Liu, Y.; Liu, H.; Gou, J.; Wu, J.; Zhou, D.; Yang, P.; Diao, C.; Ji, J.; Bao, J.; Zhang, L.; Zhao, M.; Milošević, M.V.; Guo, Y.; Tian, L.; Breese, M.B.H.; Cao, G.; Cai, C.; Wee, A.T.S.; Yin, X.
Title Orbital-hybridization-driven charge density wave transition in CsV₃Sb₅ kagome superconductor Type A1 Journal article
Year 2022 Publication Advanced materials Abbreviated Journal Adv Mater
Volume Issue Pages 1-9
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Owing to its inherent non-trivial geometry, the unique structural motif of the recently discovered kagome topological superconductor AV(3)Sb(5) (A = K, Rb, Cs) is an ideal host of diverse topologically non-trivial phenomena, including giant anomalous Hall conductivity, topological charge order, charge density wave (CDW), and unconventional superconductivity. Despite possessing a normal-state CDW order in the form of topological chiral charge order and diverse superconducting gaps structures, it remains unclear how fundamental atomic-level properties and many-body effects including Fermi surface nesting, electron-phonon coupling, and orbital hybridization contribute to these symmetry-breaking phenomena. Here, the direct participation of the V3d-Sb5p orbital hybridization in mediating the CDW phase transition in CsV3Sb5 is reported. The combination of temperature-dependent X-ray absorption and first-principles studies clearly indicates the inverse Star-of-David structure as the preferred reconstruction in the low-temperature CDW phase. The results highlight the critical role that Sb orbitals play and establish orbital hybridization as the direct mediator of the CDW states and structural transition dynamics in kagome unconventional superconductors. This is a significant step toward the fundamental understanding and control of the emerging correlated phases from the kagome lattice through the orbital interactions and provides promising approaches to novel regimes in unconventional orders and topology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000903664200001 Publication Date 2022-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0935-9648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 29.4 Times cited 1 Open Access OpenAccess
Notes Approved Most recent IF: 29.4
Call Number UA @ admin @ c:irua:193500 Serial (down) 7328
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Author Vladimirova, N.V.; Frolov, A.S.; Sanchez-Barriga, J.; Clark, O.J.; Matsui, F.; Usachov, D.Y.; Muntwiler, M.; Callaert, C.; Hadermann, J.; Neudachina, V.S.; Tamm, M.E.; Yashina, L.V.
Title Occupancy of lattice positions probed by X-ray photoelectron diffraction : a case study of tetradymite topological insulators Type A1 Journal article
Year 2023 Publication Surfaces and interfaces Abbreviated Journal
Volume 36 Issue Pages 102516-10
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Occupancy of different structural positions in a crystal lattice often seems to play a key role in material prop-erties. Several experimental techniques have been developed to uncover this issue, all of them being mostly bulk sensitive. However, many materials including topological insulators (TIs), which are among the most intriguing modern materials, are intended to be used in devices as thin films, for which the sublattice occupancy may differ from the bulk. One of the possible approaches to occupancy analysis is X-ray Photoelectron Diffraction (XPD), a structural method in surface science with chemical sensitivity. We applied this method in a case study of Sb2(Te1-xSex)3 mixed crystals, which belong to prototypical TIs. We used high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) as a reference method to verify our analysis. We revealed that the XPD data for vacuum cleaved bulk crystals are in excellent agreement with the reference ones. Also, we demonstrate that the anion occupancy near a naturally formed surface can be rather different from that of the bulk. The present results are relevant for a wide range of compositions where the system remains a topological phase, as we ultimately show by probing the transiently occupied topological surface state above the Fermi level by ultrafast photoemission.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000901694900001 Publication Date 2022-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2468-0230 ISBN Additional Links UA library record; WoS full record
Impact Factor 6.2 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 6.2; 2023 IF: NA
Call Number UA @ admin @ c:irua:193502 Serial (down) 7327
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Author Dinger, J.; Friedrich, T.; Reimann, T.; Toepfer, J.
Title NiMn₂O₄ revisited : temperature-dependent cation distribution from in situ neutron diffraction and thermopower studies Type A1 Journal article
Year 2023 Publication Journal of the American Ceramic Society Abbreviated Journal
Volume 106 Issue 3 Pages 1834-1847
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The cation distribution of the negative temperature coefficient (NTC) thermistor spinel NiMn2O4 was studied in the temperature range from 55 to 900 degrees C, using a combined in situ neutron diffraction and thermopower study. Rietveld refinements of in situ neutron diffraction data reveal a temperature dependence of the degree of inversion with an inversion parameter of 0.70(1) at 900 degrees C and 0.87(1) at 55 degrees C. Thermopower measurements were evaluated using a modified Heikes formula, and the [Mn4+]/[Mn3+] ratio on octahedral sites of the spinel structure was calculated considering spin and orbital degeneracy. The inversion degree and disproportionation parameter, determined independently as function of temperature, were used to calculate the cation distribution of NiMn2O4 in the whole temperature range. At high temperature, within the stability range of the spinel, the cation distribution is characterized by a moderate degree of inversion with a concentration of NiB2+${\mathrm{Ni}}\mathrm{B}<
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000880360600001 Publication Date 2022-10-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7820 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9; 2023 IF: 2.841
Call Number UA @ admin @ c:irua:192087 Serial (down) 7326
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Author Yang, S.; Liu, Z.; An, H.; Arnouts, S.; de Ruiter, J.; Rollier, F.; Bals, S.; Altantzis, T.; Figueiredo, M.C.; Filot, I.A.W.; Hensen, E.J.M.; Weckhuysen, B.M.; van der Stam, W.
Title Near-unity electrochemical CO₂ to CO conversion over Sn-doped copper oxide nanoparticles Type A1 Journal article
Year 2022 Publication ACS catalysis Abbreviated Journal Acs Catal
Volume 12 Issue 24 Pages 15146-15156
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Bimetallic electrocatalysts have emerged as a viable strategy to tune the electrocatalytic CO2 reduction reaction (eCO2RR) for the selective production of valuable base chemicals and fuels. However, obtaining high product selectivity and catalyst stability remain challenging, which hinders the practical application of eCO2RR. In this work, it was found that a small doping concentration of tin (Sn) in copper oxide (CuO) has profound influence on the catalytic performance, boosting the Faradaic efficiency (FE) up to 98% for carbon monoxide (CO) at -0.75 V versus RHE, with prolonged stable performance (FE > 90%) for up to 15 h. Through a combination of ex situ and in situ characterization techniques, the in situ activation and reaction mechanism of the electrocatalyst at work was elucidated. In situ Raman spectroscopy measurements revealed that the binding energy of the crucial adsorbed *CO intermediate was lowered through Sn doping, thereby favoring gaseous CO desorption. This observation was confirmed by density functional theory, which further indicated that hydrogen adsorption and subsequent hydrogen evolution were hampered on the Sn-doped electrocatalysts, resulting in boosted CO formation. It was found that the pristine electrocatalysts consisted of CuO nanoparticles decorated with SnO2 domains, as characterized by ex situ high-resolution scanning transmission electron microscopy and X-ray photoelectron spectroscopy measurements. These pristine nanoparticles were subsequently in situ converted into a catalytically active bimetallic Sn-doped Cu phase. Our work sheds light on the intimate relationship between the bimetallic structure and catalytic behavior, resulting in stable and selective oxide-derived Sn-doped Cu electrocatalysts.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000900052400001 Publication Date 2022-11-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2155-5435 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 12.9 Times cited 16 Open Access OpenAccess
Notes B.M.W., S.Y., M.C.F., E.J.M.H., and W.v.d.S. acknowledge support from the Strategic UU-TU/e Alliance project ?Joint Centre for Chemergy Research?. S.B. acknowledges support from the European Research Council (ERC Consolidator grant #815128 REALNANO) . Z.L. acknowledges financial support of the China Scholarship Council and the Netherlands Organization for Scientific Research for access to computa-tional resources for carrying out the DFT calculations reported in this work. S.A. and T.A. acknowledge funding from theUniversity of Antwerp Research fund (BOF) . The authors also thank Dr. Jochem Wijten and Joris Janssens (Inorganic Chemistry and Catalysis, Utrecht University) for helpful technical support. Sander Deelen (Faculty of Science, Utrecht University) is acknowledged for the design of the in situ XRD cell. Approved Most recent IF: 12.9
Call Number UA @ admin @ c:irua:192742 Serial (down) 7325
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Author Zhang, Z.; Chen, X.; Shi, X.; Hu, Y.; Huang, J.; Liu, S.; Ren, Z.; Huang, H.; Han, G.; Van Tendeloo, G.; Tian, H.
Title Morphotropic phase boundary in pure perovskite lead titanate at room temperature Type A1 Journal article
Year 2022 Publication Materials Today Nano Abbreviated Journal
Volume 20 Issue Pages 100275-5
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract For many decades, great efforts have been devoted to pursue a large piezoelectric response by an intelligent design of morphotropic phase boundaries (MPB) in solid solutions, where tetragonal (T) and rhombohedral (R) structures coexist. For example, classical PbZrxTi1-xO3 and Pb(Mg1/3Nb2/3)O-3-PbTiO3 single crystals demonstrate a giant piezoelectric response near MPB. However, as the end member of these solids, perovskite-structured PbTiO3 always adopts the T phase at room temperature. Here, we report a pathway to create room temperature MPB in a single-phase PbTiO3. The uniaxial stress along the c-axis drives a T-R phase transition bridged by a monoclinic (M) phase, which facilitates a polarization rotation in the monodomain PbTiO3. Meanwhile, we demonstrate that the coexistence of T and R phases at room temperature can be achieved via an extremely mismatched heterointerface system. The uniaxial pressure is proved as an efficient way to break the inherent symmetry and able to substantially tailor the phase transition temperature Tc. These findings provide new insights into MPB, offering the opportunity to explore the giant piezoelectric response in single-phase materials. (c) 2022 Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000906548600002 Publication Date 2022-10-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2588-8420 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.3 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 10.3
Call Number UA @ admin @ c:irua:193477 Serial (down) 7324
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Author Penders, A.G.
Title Microstructural investigation of irradiation assisted stress corrosion cracking mechanisms based on focused ion beam analysis of tested and industrial specimens Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue Pages xxxviii, 226 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Irradiation assisted stress corrosion cracking (IASCC) is an intergranular cracking effect which can occur in heavily irradiated internal structural components of nuclear reactor cores. It is a complex phenomenon which is not yet fully understood because it occurs through an interplay of several material degradation processes. The factors that influence IASCC susceptibility include irradiation damage (neutrons and other irradiation particles stemming from the nuclear fission reaction), the operating temperature of the nuclear reactor, water corrosion, operating stresses, and the composition of materials susceptible to IASCC. Such materials are typically fabricated from austenitic stainless steels because of their relatively high strength, ductility, and fracture toughness. However, besides excellent metallurgical and corrosion resistant qualities, the operating conditions may still cause severe material degradation and component failure, which is extremely important for nuclear power plant safety and lifetime managements. Despite much accumulated data in the literature, both crack initiation and crack propagation mechanisms still need to be further elucidated. To that end, a probabilistic fracture model entitled the subcritical crack propagation (SCP) was recently developed, which assumes that the oxidized part of stainless steel in front of the crack plays an essential role in the crack initiation and crack propagation in sample failures. Still, despite a very good agreement with experimental observations, the SCP model but also other contemporary models favoured within the literature, require further experimental verification to what concerns the investigation of (IA)SCC. To that end, the main objective of this doctorate was to utilize experimental instrumentations like SEM, FIB-SEM and (S)TEM to conduct the investigation of the crack initiation and propagation processes in both tested and industrial specimens. Some of the investigated materials were retrieved within a nuclear reactor and are thus considered as unique test material to investigate the material degradation processes relevant for cracking. Other specimens were tailor-made to simulate the cracking processes of irradiated materials in otherwise un-irradiated materials. The newly acquired experimental results in this doctorate help rationalize existing models and methodologies used in the literature to analyse the IASCC failures of structural materials of reactor components. These results also facilitate in the development of predictive methodologies and mitigation strategies towards IASCC cracking and provide more information on IASCC from a microstructural perspective.
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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:192431 Serial (down) 7323
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Author Nulens, L.; Dausy, H.; Wyszynski, M.J.; Raes, B.; Van Bael, M.J.; Milošević, M.V.; Van de Vondel, J.
Title Metastable states and hidden phase slips in nanobridge SQUIDs Type A1 Journal article
Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 106 Issue 13 Pages 134518-134519
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We fabricated an asymmetric nanoscale SQUID consisting of one nanobridge weak link and one Dayem bridge weak link. The current phase relation of these particular weak links is characterized by multivaluedness and linearity. While the latter is responsible for a particular magnetic field dependence of the critical current (so-called vorticity diamonds), the former enables the possibility of different vorticity states (phase winding numbers) existing at one magnetic field value. In experiments the observed critical current value is stochastic in nature, does not necessarily coincide with the current associated with the lowest energy state and critically depends on the measurement conditions. In this paper, we unravel the origin of the observed metastability as a result of the phase dynamics happening during the freezing process and while sweeping the current. Moreover, we employ special measurement protocols to prepare the desired vorticity state and identify the (hidden) phase slip dynamics ruling the detected state of these nanodevices. In order to gain insights into the dynamics of the condensate and, more specifically the hidden phase slips, we performed time-dependent Ginzburg-Landau simulations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000904657300007 Publication Date 2022-10-31
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 1 Open Access OpenAccess
Notes Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:193393 Serial (down) 7321
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Author Souza, J.C.B.; Vizarim, N.P.; Reichhardt, C.J.O.; Reichhardt, C.; Venegas, P.A.
Title Magnus induced diode effect for skyrmions in channels with periodic potentials Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue 1 Pages 015804-15810
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using a particle based model, we investigate the skyrmion dynamical behavior in a channel where the upper wall contains divots of one depth and the lower wall contains divots of a different depth. Under an applied driving force, skyrmions in the channels move with a finite skyrmion Hall angle that deflects them toward the upper wall for -x direction driving and the lower wall for +x direction driving. When the upper divots have zero height, the skyrmions are deflected against the flat upper wall for -x direction driving and the skyrmion velocity depends linearly on the drive. For +x direction driving, the skyrmions are pushed against the lower divots and become trapped, giving reduced velocities and a nonlinear velocity-force response. When there are shallow divots on the upper wall and deep divots on the lower wall, skyrmions get trapped for both driving directions; however, due to the divot depth difference, skyrmions move more easily under -x direction driving, and become strongly trapped for +x direction driving. The preferred -x direction motion produces what we call a Magnus diode effect since it vanishes in the limit of zero Magnus force, unlike the diode effects observed for asymmetric sawtooth potentials. We show that the transport curves can exhibit a series of jumps or dips, negative differential conductivity, and reentrant pinning due to collective trapping events. We also discuss how our results relate to recent continuum modeling on a similar skyrmion diode system.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000880827900001 Publication Date 2022-10-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:192031 Serial (down) 7320
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Author Gonzalez, V.; Fazlic, I.; Cotte, M.; Vanmeert, F.; Gestels, A.; De Meyer, S.; Broers, F.; Hermans, J.; van Loon, A.; Janssens, K.; Noble, P.; Keune, K.
Title Lead(II) formate in Rembrandt's Night Watch : detection and distribution from the macro- to the micro-scale Type A1 Journal article
Year 2023 Publication Angewandte Chemie: international edition in English Abbreviated Journal
Volume Issue Pages 1-9
Keywords A1 Journal article; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS)
Abstract The Night Watch, painted in 1642 and on view in the Rijksmuseum in Amsterdam, is considered Rembrandt's most famous work. X-ray powder diffraction (XRPD) mapping at multiple length scales revealed the unusual presence of lead(II) formate, Pb(HCOO)(2), in several areas of the painting. Until now, this compound was never reported in historical oil paints. In order to get insights into this phenomenon, one possible chemical pathway was explored thanks to the preparation and micro-analysis of model oil paint media prepared by heating linseed oil and lead(II) oxide (PbO) drier as described in 17(th) century recipes. Synchrotron radiation based micro-XRPD (SR-mu-XRPD) and infrared microscopy were combined to identify and map at the micro-scale various neo-formed lead-based compounds in these model samples. Both lead(II) formate and lead(II) formate hydroxide Pb(HCOO)(OH) were detected and mapped, providing new clues regarding the reactivity of lead driers in oil matrices in historical paintings.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000920584500001 Publication Date 2023-01-02
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1433-7851; 0570-0833 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.6 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 16.6; 2023 IF: 11.994
Call Number UA @ admin @ c:irua:194279 Serial (down) 7318
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Author Posokhova, S.M.M.; Morozov, V.A.; Deyneko, D.V.V.; Redkin, B.S.S.; Spassky, D.A.A.; Nagirnyi, V.; Belik, A.A.A.; Hadermann, J.; Pavlova, E.T.T.; Lazoryak, B.I.I.
Title K₅Eu(MoO₄)₄ red phosphor for solid state lighting applications, prepared by different techniques Type A1 Journal article
Year 2023 Publication CrystEngComm Abbreviated Journal Crystengcomm
Volume 25 Issue 5 Pages 835-847
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The influence of preparation techniques on the structure and luminescent properties of K5Eu(MoO4)(4) (KEMO) was investigated. KEMO phosphors were synthesized by three different techniques: solid state and sol-gel (sg) methods as well as the Czochralski (CZ) crystal growth technique. Laboratory powder X-ray diffraction (PXRD) studies revealed that all KEMO samples had a structure analogous to that of other high temperature alpha-K5R(MoO4)(4) palmierite-type phases (space group (SG) R3m). Contrary to laboratory PXRD data, electron diffraction revealed that the KEMO crystal grown by the CZ technique had a (3 + 1)D incommensurately modulated structure (super space group (SSG) C2/m(0 beta 0)00) with the modulation vector q = 0.689b*. A detailed analysis of electron diffraction patterns has shown formation of three twin domains rotated along the c axis of the R-subcell at 60 degrees with respect to each other. Synchrotron XRD patterns showed additional ultra-wide reflexes in addition to reflections of the R-subcell of the palmierite. However, the insufficient number of reflections, their low intensity and large width in the synchrotron X-ray diffraction patterns made it impossible to refine the structure as incommensurately modulated C2/m(0 beta 0)00. An average structure was refined in the C2/m space group with random distribution of K1 and Eu1 in [M1A(2)O(8)]-layers of the palmierite-type structure. The dependence of luminescent properties on utilized synthesis techniques was studied. The emission spectra of all samples exhibit intense red emission originating from the D-5(0) -> F-7(2) Eu3+ transition. The integrated intensity of the emission from the Eu3+ 5D0 term was found to be the highest in the crystal grown by the CZ technique. The quantum yield measured for KEMO crystals demonstrates a very high value of 66.5%. This fact confirms that KEMO crystals are exceptionally attractive for applications as a near-UV converting red phosphor for LEDs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000912021300001 Publication Date 2023-01-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1466-8033 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.1 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 3.1; 2023 IF: 3.474
Call Number UA @ admin @ c:irua:194320 Serial (down) 7317
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Author Pascucci, F.; Conti, S.; Neilson, D.; Tempère, J.; Perali, A.
Title Josephson effect as a signature of electron-hole superfluidity in bilayers of van der Waals heterostructures Type A1 Journal article
Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 106 Issue 22 Pages L220503-6
Keywords A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
Abstract We investigate a Josephson junction in an electron-hole superfluid in a double-layer transition metal dichalco-genide heterostructure. The observation of a critical tunneling current is a clear signature of superfluidity. In addition, we find the BCS-BEC crossover physics in the narrow barrier region controls the critical current across the entire system. The corresponding critical velocity, which is measurable in this system, has a maximum when the excitations pass from bosonic to fermionic. Remarkably, this occurs for the density at the boundary of the BEC to BCS-BEC crossover regime determined from the condensate fraction. This provides, in a semiconductor system, an experimental way to determine the position of this boundary.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000903924400007 Publication Date
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 OpenAccess
Notes Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:193402 Serial (down) 7316
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Author Rivas-Murias, B.; Testa-Anta, M.; Skorikov, A.S.; Comesana-Hermo, M.; Bals, S.; Salgueirino, V.
Title Interfaceless exchange bias in CoFe₂O₄ nanocrystals Type A1 Journal article
Year 2023 Publication Nano letters Abbreviated Journal
Volume 23 Issue 5 Pages 1688-1695
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Oxidized cobalt ferrite nanocrystals with a modified distribution of the magnetic cations in their spinel structure give place to an unusual exchange-coupled system with a double reversal of the magnetization, exchange bias, and increased coercivity, but without the presence of a clear physical interface that delimits two well-differentiated magnetic phases. More specifically, the partial oxidation of cobalt cations and the formation of Fe vacancies at the surface region entail the formation of a cobalt-rich mixed ferrite spinel, which is strongly pinned by the ferrimagnetic background from the cobalt ferrite lattice. This particular configuration of exchange-biased magnetic behavior, involving two different magnetic phases but without the occurrence of a crystallographically coherent interface, revolu-tionizes the established concept of exchange bias phenomenology.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000940892000001 Publication Date 2023-02-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 10.8 Times cited 4 Open Access OpenAccess
Notes M.T.-A. acknowledges financial support from the Spanish Ministerio de Ciencia e Innovaci?n under grant FJC2021- 046680-I. S.B. acknowledges funding from the European Research Council under the European Union?s Horizon 2020 research and innovation program (ERC Consolidator Grant N o 815128 REALNANO) . V.S. acknowledges the financial support from the Spanish Ministerio de Ciencia e Innovaci?n under project PID2020-119242-I00 and from the European Union under project H2020-MSCA-RISE-2019 PEPSA-MATE (project number 872233) . Approved Most recent IF: 10.8; 2023 IF: 12.712
Call Number UA @ admin @ c:irua:195186 Serial (down) 7315
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Author Duden, E.I.; Savaci, U.; Turan, S.; Sevik, C.; Demiroglu, I.
Title Intercalation of argon in honeycomb structures towards promising strategy for rechargeable Li-ion batteries Type A1 Journal article
Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
Volume 35 Issue 8 Pages 085301-85311
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract High-performance rechargeable batteries are becoming very important for high-end technologies with their ever increasing application areas. Hence, improving the performance of such batteries has become the main bottleneck to transferring high-end technologies to end users. In this study, we propose an argon intercalation strategy to enhance battery performance via engineering the interlayer spacing of honeycomb structures such as graphite, a common electrode material in lithium-ion batteries (LIBs). Herein, we systematically investigated the LIB performance of graphite and hexagonal boron nitride (h-BN) when argon atoms were sent into between their layers by using first-principles density-functional-theory calculations. Our results showed enhanced lithium binding for graphite and h-BN structures when argon atoms were intercalated. The increased interlayer space doubles the gravimetric lithium capacity for graphite, while the volumetric capacity also increased by around 20% even though the volume was also increased. The ab initio molecular dynamics simulations indicate the thermal stability of such graphite structures against any structural transformation and Li release. The nudged-elastic-band calculations showed that the migration energy barriers were drastically lowered, which promises fast charging capability for batteries containing graphite electrodes. Although a similar level of battery promise was not achieved for h-BN material, its enhanced battery capabilities by argon intercalation also support that the argon intercalation strategy can be a viable route to enhance such honeycomb battery electrodes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000899825400001 Publication Date 2022-12-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.7 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
Call Number UA @ admin @ c:irua:193399 Serial (down) 7313
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Author Deylgat, E.; Chen, E.; Fischetti, M.V.; Sorée, B.; Vandenberghe, W.G.
Title Image-force barrier lowering in top- and side-contacted two-dimensional materials Type A1 Journal article
Year 2022 Publication Solid state electronics Abbreviated Journal Solid State Electron
Volume 198 Issue Pages 108458-4
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We compare the image-force barrier lowering (IFBL) and calculate the resulting contact resistance for four different metal-dielectric-two-dimensional (2D) material configurations. We analyze edge contacts in three different geometries (a homogeneous dielectric throughout, including the 2D layer; a homogeneous dielectric surrounding the 2D layer, both ungated and back gated) and also a top-contact assuming a homogeneous dielectric. The image potential energy of each configuration is determined and added to the Schottky energy barrier which is calculated assuming a textbook Schottky potential. For each configuration, the contact resistivity is calculated using the WKB approximation and the effective mass approximation using either SiO2 or HfO2 as the surrounding dielectric. We obtain the lowest contact resistance of 1 k Omega mu m by n-type doping an edge contacted transition metal-dichalcogenide (TMD) monolayer, sandwiched between SiO2 dielectric, with similar to 1012 cm-2 donor atoms. When this optimal configuration is used, the contact resistance is lowered by a factor of 50 compared to the situation when the IFBL is not considered.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000876289800003 Publication Date 2022-09-22
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0038-1101 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.7 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 1.7
Call Number UA @ admin @ c:irua:191556 Serial (down) 7312
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Author dela Encarnacion, C.; Lenzi, E.; Henriksen-Lacey, M.; Molina, B.; Jenkinson, K.; Herrero, A.; Colas, L.; Ramos-Cabrer, P.; Toro-Mendoza, J.; Orue, I.; Langer, J.; Bals, S.; Jimenez de Aberasturi, D.; Liz-Marzan, L.M.
Title Hybrid magnetic-plasmonic nanoparticle probes for multimodal bioimaging Type A1 Journal article
Year 2022 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
Volume 126 Issue 45 Pages 19519-19531
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Multimodal contrast agents, which take advantage of different imaging modalities, have emerged as an interesting approach to overcome the technical limitations of individual techniques. We developed hybrid nanoparticles comprising an iron oxide core and an outer gold spiky layer, stabilized by a biocompatible polymeric shell. The combined magnetic and optical properties of the different components provide the required functionalities for magnetic resonance imaging (MRI), surface-enhanced Raman scattering (SERS), and fluorescence imaging. The fabrication of such hybrid nanoprobes comprised the adsorption of small gold nanoparticles onto premade iron oxide cores, followed by controlled growth of spiky gold shells. The gold layer thickness and branching degree (tip sharpness) can be controlled by modifying both the density of Au nanoparticle seeds on the iron oxide cores and the subsequent nanostar growth conditions. We additionally demonstrated the performance of these hybrid multifunctional nanoparticles as multimodal contrast agents for correlative imaging of in vitro cell models and ex vivo tissues.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000883021700001 Publication Date 2022-11-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited 10 Open Access Not_Open_Access
Notes The authors acknowledge financial support from the European Research Council (ERC-AdG-2017, 787510) and MCIN/AEI/10.13039/501100011033 through grants PID2019-108854RA-I00 and Maria de Maeztu Unit of Excellence No. MDM-2017-0720. S.B. and K.J. acknowledge financial support from the European Commission under the Horizon 2020Programme by Grant No. 823717 (ESTEEM3) and ERC Consolidator Grant No. 815128 (REALNANO) . Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:192104 Serial (down) 7311
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Author Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V.
Title High-throughput analysis of tetragonal transition metal Xenes Type A1 Journal article
Year 2022 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 24 Issue 48 Pages 29406-29412
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000892446100001 Publication Date 2022-11-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited 1 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:192762 Serial (down) 7310
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Author Birkholzer, Y.A.; Sotthewes, K.; Gauquelin, N.; Riekehr, L.; Jannis, D.; van der Minne, E.; Bu, Y.; Verbeeck, J.; Zandvliet, H.J.W.; Koster, G.; Rijnders, G.
Title High-strain-induced local modification of the electronic properties of VO₂ thin films Type A1 Journal article
Year 2022 Publication ACS applied electronic materials Abbreviated Journal
Volume 4 Issue 12 Pages 6020-6028
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Vanadium dioxide (VO2) is a popular candidate for electronic and optical switching applications due to its well-known semiconductor-metal transition. Its study is notoriously challenging due to the interplay of long- and short-range elastic distortions, as well as the symmetry change and the electronic structure changes. The inherent coupling of lattice and electronic degrees of freedom opens the avenue toward mechanical actuation of single domains. In this work, we show that we can manipulate and monitor the reversible semiconductor-to-metal transition of VO2 while applying a controlled amount of mechanical pressure by a nanosized metallic probe using an atomic force microscope. At a critical pressure, we can reversibly actuate the phase transition with a large modulation of the conductivity. Direct tunneling through the VO2-metal contact is observed as the main charge carrier injection mechanism before and after the phase transition of VO2. The tunneling barrier is formed by a very thin but persistently insulating surface layer of the VO2. The necessary pressure to induce the transition decreases with temperature. In addition, we measured the phase coexistence line in a hitherto unexplored regime. Our study provides valuable information on pressure-induced electronic modifications of the VO2 properties, as well as on nanoscale metal-oxide contacts, which can help in the future design of oxide electronics.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000890974900001 Publication Date 2022-11-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2637-6113 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited 2 Open Access OpenAccess
Notes This work received financial support from the project Green ICT (grant number 400.17.607) of the research program NWA, which is financed by the Dutch Research Council (NWO), Research Foundation Flanders (FWO grant number G0F1320N), and the European Union’s Horizon 2020 research and innovation program within a contract for Integrating Activities for Advanced Communities (grant number 823717 − ESTEEM3). The K2 camera was funded through the Research Foundation Flanders (FWO-Hercules grant number G0H4316N – “Direct electron detector for soft matter TEM”).; esteem3reported; esteem3jra Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:192712 Serial (down) 7309
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Author Zhou, Z.; Tan, Y.; Yang, Q.; Bera, A.; Xiong, Z.; Yagmurcukardes, M.; Kim, M.; Zou, Y.; Wang, G.; Mishchenko, A.; Timokhin, I.; Wang, C.; Wang, H.; Yang, C.; Lu, Y.; Boya, R.; Liao, H.; Haigh, S.; Liu, H.; Peeters, F.M.; Li, Y.; Geim, A.K.; Hu, S.
Title Gas permeation through graphdiyne-based nanoporous membranes Type A1 Journal article
Year 2022 Publication Nature communications Abbreviated Journal Nat Commun
Volume 13 Issue 1 Pages 4031-4036
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Nanoporous membranes based on two dimensional materials are predicted to provide highly selective gas transport in combination with extreme permeance. Here we investigate membranes made from multilayer graphdiyne, a graphene-like crystal with a larger unit cell. Despite being nearly a hundred of nanometers thick, the membranes allow fast, Knudsen-type permeation of light gases such as helium and hydrogen whereas heavy noble gases like xenon exhibit strongly suppressed flows. Using isotope and cryogenic temperature measurements, the seemingly conflicting characteristics are explained by a high density of straight-through holes (direct porosity of similar to 0.1%), in which heavy atoms are adsorbed on the walls, partially blocking Knudsen flows. Our work offers important insights into intricate transport mechanisms playing a role at nanoscale.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000918423100001 Publication Date 2022-07-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2041-1723 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 16.6 Times cited 10 Open Access OpenAccess
Notes Approved Most recent IF: 16.6
Call Number UA @ admin @ c:irua:194402 Serial (down) 7308
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Author Jiang, J.; Milošević, M.V.; Wang, Y.-L.; Xiao, Z.-L.; Peeters, F.M.; Chen, Q.-H.
Title Field-free superconducting diode in a magnetically nanostructured superconductor Type A1 Journal article
Year 2022 Publication Physical review applied Abbreviated Journal Phys Rev Appl
Volume 18 Issue 3 Pages 034064-34069
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract A strong superconducting diode effect (SDE) is revealed in a thin superconducting film periodically nanostructured with magnetic dots. The SDE is caused by the current-activated dissipation mitigated by vortex-antivortex pairs (VAPs), which periodically nucleate under the dots, move and annihilate in the superconductor-eventually driving the system to the high-resistive state. Inversing the polarity of the applied current destimulates the nucleation of VAPs, the system remains superconducting up to far larger currents, leading to the pronounced diodic response. Our dissipative Ginzburg-Landau simulations detail the involved processes, and provide reliable geometric and parametric ranges for the experimental realiza-tion of such a nonvolatile superconducting diode, which operates in the absence of any applied magnetic field while being fluxonic by design.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000870234200001 Publication Date 2022-09-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited 2 Open Access OpenAccess
Notes Approved Most recent IF: 4.6
Call Number UA @ admin @ c:irua:191539 Serial (down) 7307
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Author Xie, Y.; Jia, M.; De Wilde, F.; Daeninck, K.; De Clippeleir, H.; Verstraete, W.; Vlaeminck, S.E.
Title Feasibility of packed-bed trickling filters for partial nitritation/anammox : effects of carrier material, bottom ventilation openings, hydraulic loading rate and free ammonia Type A1 Journal article
Year 2023 Publication Bioresource technology Abbreviated Journal
Volume 373 Issue Pages 128713-128719
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract This study pioneers the feasibility of cost-effective partial nitritation/anammox (PN/A) in packed-bed trickling filters (TFs). Three parallel TFs tested different carrier materials, the presence or absence of bottom ventilation openings, hydraulic loading rates (HLR, 0.4–2.2 m3 m−2 h−1), and free ammonia (FA) levels on synthetic medium. The inexpensive Argex expanded clay was recommended due to the similar nitrogen removal rates as commercially used plastics. Top-only ventilation at an optimum HLR of 1.8 m3 m−2 h−1 could remove approximately 60% of the total nitrogen load (i.e., 300 mg N L-1 d−1, 30 °C) and achieve relatively low NO3–-N accumulation (13%). Likely FA levels of around 1.3–3.2 mg N L-1 suppressed nitratation. Most of the total nitrogen removal took place in the upper third of the reactor, where anammox activity was highest. Provided further optimizations, the results demonstrated TFs are suitable for low-energy shortcut nitrogen removal.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000945892500001 Publication Date 2023-02-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0960-8524 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11.4 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 11.4; 2023 IF: 5.651
Call Number UA @ admin @ c:irua:193652 Serial (down) 7306
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