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Author Linard, F.J.A.; Moura, V.N.; Covaci, L.; Milošević, M.V.; Chaves, A. url  doi
openurl 
  Title Wave-packet scattering at a normal-superconductor interface in two-dimensional materials : a generalized theoretical approach Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal  
  Volume 107 Issue 16 Pages 165306-165309  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract A wave-packet time evolution method, based on the split-operator technique, is developed to investigate the scattering of quasiparticles at a normal-superconductor interface of arbitrary profile and shape. As a practical application, we consider a system where low-energy electrons can be described as Dirac particles, which is the case for most two-dimensional materials, such as graphene and transition-metal dichalcogenides. However, the method is easily adapted for other cases such as electrons in few-layer black phosphorus or any Schrodinger quasiparticles within the effective mass approximation in semiconductors. We employ the method to revisit Andreev reflection in mono-, bi-, and trilayer graphene, where specular-and retro-reflection cases are observed for electrons scattered by a steplike superconducting region. The effect of opening a zero-gap channel across the superconducting region on the electron and hole scattering is also addressed, as an example of the versatility of the technique proposed here.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000974675700006 Publication Date 2023-04-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 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; 2023 IF: 3.836  
  Call Number UA @ admin @ c:irua:196709 Serial 8954  
Permanent link to this record
 

 
Author Bekaert, J. pdf  doi
openurl 
  Title Phonon-mediated superconductivity in ternary silicides X₄ CoSi (X = Nb, Ta) Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal  
  Volume 108 Issue 13 Pages 134504-134507  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The superconducting properties of two recently synthesized ternary silicides with unit formula X<sub>4</sub>CoSi (X = Nb, Ta) are investigated through ab initio calculations combined with Eliashberg theory. Interestingly, their crystal structure comprises interlocking honeycomb networks of Nb/Ta atoms. Nb<sub>4</sub>CoSi is found to harbor better conditions for phonon-mediated superconductivity, as it possesses a higher density of states at the Fermi level, fostering stronger electron-phonon coupling. The superconducting critical temperatures (T<sub>c</sub>) follow the same trend, with Nb<sub>4</sub>CoSi having a twice higher value than Ta<sub>4</sub>CoSi. Furthermore, the calculated T<sub>c</sub> values (5.9 K vs 3.1 K) agree excellently with the experimentally obtained ones, establishing superconductivity in this new materials class as mediated by the electron-phonon coupling. Furthermore, my calculations show that the superconducting properties of these compounds do not simply correlate with the parameters of their honeycomb networks, contrary to proposals raised in the literature. Rather, their complete fermiology and phonon spectrum should be taken into account in order to explain their respective superconducting properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001140080300003 Publication Date 2023-10-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 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; 2023 IF: 3.836  
  Call Number UA @ admin @ c:irua:201445 Serial 9071  
Permanent link to this record
 

 
Author Santos-Castro, G.; Pandey, T.; Bruno, C.H.V.; Santos Caetano, E.W.; Milošević, M.V.; Chaves, A.; Freire, V.N. url  doi
openurl 
  Title Silicon and germanium adamantane and diamantane monolayers as two-dimensional anisotropic direct-gap semiconductors Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal  
  Volume 108 Issue 3 Pages 035302-35310  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Structural and electronic properties of silicon and germanium monolayers with two different diamondoid crystal structures are detailed ab initio. Our results show that, despite Si and Ge being well-known indirect gap semiconductors in their bulk form, their adamantane and diamantane monolayers can exhibit optically active direct gap in the visible frequency range, with highly anisotropic effective masses, depending on the monolayer crystal structure. Moreover, we reveal that gaps in these materials are highly tunable with applied strain. These stable monolayer forms of Si and Ge are therefore expected to help bridging the gap between the fast growing area of opto-electronics in two-dimensional materials and the established silicon-based technologies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001074455300012 Publication Date 2023-07-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 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; 2023 IF: 3.836  
  Call Number UA @ admin @ c:irua:200348 Serial 9089  
Permanent link to this record
 

 
Author Lima, I.L.C.; Milošević, M.V.; Peeters, F.M.; Chaves, A. doi  openurl
  Title Tuning of exciton type by environmental screening Type A1 Journal article
  Year 2023 Publication Physical review B Abbreviated Journal  
  Volume 108 Issue 11 Pages 115303-115308  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We theoretically investigate the binding energy and electron-hole (e-h) overlap of excitonic states confined at the interface between two-dimensional materials with type-II band alignment, i.e., with lowest conduction and highest valence band edges placed in different materials, arranged in a side-by-side planar heterostructure. We propose a variational procedure within the effective mass approximation to calculate the exciton ground state and apply our model to a monolayer MoS2/WS2 heterostructure. The role of nonabrupt interfaces between the materials is accounted for in our model by assuming a WxMo1-xS2 alloy around the interfacial region. Our results demonstrate that (i) interface-bound excitons are energetically favorable only for small interface thickness and/or for systems under high dielectric screening by the materials surrounding the monolayer, and that (ii) the interface exciton binding energy and its e-h overlap are controllable by the interface width and dielectric environment.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001077758300002 Publication Date 2023-09-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.7 Times cited 1 Open Access  
  Notes Approved Most recent IF: 3.7; 2023 IF: 3.836  
  Call Number UA @ admin @ c:irua:200356 Serial 9110  
Permanent link to this record
 

 
Author Claes, J.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title Decoupled DFT-1/2 method for defect excitation energies Type A1 Journal Article
  Year 2023 Publication Physical Review B Abbreviated Journal Phys. Rev. B  
  Volume 108 Issue 12 Pages 125306  
  Keywords A1 Journal Article; Condensed Matter Theory (CMT) ;  
  Abstract The DFT-1/2 method is a band-gap correction with GW precision at a density functional theory (DFT) computational cost. The method was also extended to correct the gap between defect levels, allowing for the calculation of optical transitions. However, this method fails when the atomic character of the occupied and unoccupied defect levels is similar as we illustrate by two examples, the tetrahedral hydrogen interstitial and the negatively charged vacancy in diamond. We solve this problem by decoupling the effect of the occupied and unoccupied defect levels and call this the decoupled DFT-1/2 method for defects.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001089302800003 Publication Date 2023-09-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2469-9950 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 3.7 Times cited Open Access Not_Open_Access  
  Notes This work was supported by the FWO (Research Foundation-Flanders), Project No. G0D1721N. This work was performed in part using HPC resources from the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO-Vlaanderen and the Flemish Government department EWI (Economie, Wetenschap & Innovatie). Approved Most recent IF: 3.7; 2023 IF: 3.836  
  Call Number CMT @ cmt @c:irua:201287 Serial 8976  
Permanent link to this record
 

 
Author Vlasov, E.; Denisov, N.; Verbeeck, J. pdf  url
doi  openurl
  Title Low-cost electron detector for scanning electron microscope Type A1 Journal article
  Year 2023 Publication HardwareX Abbreviated Journal HardwareX  
  Volume 14 Issue Pages e00413  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Electron microscopy is an indispensable tool for the characterization of (nano) materials. Electron microscopes are typically very expensive and their internal operation is often shielded from the user. This situation can provide fast and high quality results for researchers focusing on e.g. materials science if they have access to the relevant instruments. For researchers focusing on technique development, wishing to test novel setups, however, the high entry price can lead to risk aversion and deter researchers from innovating electron microscopy technology further. The closed attitude of commercial entities about how exactly the different parts of electron microscopes work, makes it even harder for newcomers in this field. Here we propose an affordable, easy-to-build electron detector for use in a scanning electron microscope (SEM). The aim of this project is to shed light on the functioning of such detectors as well as show that even a very modest design can lead to acceptable performance while providing high flexibility for experimentation and customization.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001042486000001 Publication Date 2023-03-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2468-0672 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access OpenAccess  
  Notes The authors acknowledge the financial support of the Research Foundation Flanders (FWO, Belgium) project SBO [Grant No. S000121N]. JV acknowledges funding from the HORIZON-INFRA-2022-TECH-01-01 project IMPRESS [Grant No. 101094299]. Approved Most recent IF: NA  
  Call Number EMAT @ emat @c:irua:195886 Serial 7252  
Permanent link to this record
 

 
Author Cui, Z.; Hao, Y.; Jafarzadeh, A.; Li, S.; Bogaerts, A.; Li, L. pdf  url
doi  openurl
  Title The adsorption and decomposition of SF6 over defective and hydroxylated MgO surfaces: A DFT study Type A1 Journal article
  Year 2023 Publication Surfaces and interfaces Abbreviated Journal  
  Volume 36 Issue Pages 102602  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Plasma degradation is one of the most effective methods for the abatement of greenhouse gas sulfur hexafluoride

(SF6). To evaluate the potential of MgO as a catalyst in plasma degradation, we investigate the catalytic properties

of MgO on SF6 adsorption and activation by density functional theory (DFT) where the O-defective and

hydroxylated surfaces are considered as two typical plasma-generated surfaces. Our results show that perfect

MgO (001) and (111) surfaces cannot interact with SF6 and only physical adsorption happens. In case of Odefective

MgO surfaces, the O vacancy is the most stable adsorption site. SF6 undergoes a decomposition to SF5

and F over the O-defective MgO (001) surface and undergoes an elongation of the bottom S-F bond over the Odefective

(111) surface. Besides, SF6 shows a physically adsorption at the stepsite of the MgO (001) surface,

accompanied by small changes in its bond angle and length. Furthermore, SF6 is found to be physically and

chemically adsorbed over 0.5 and 1.0 ML (monolayer) H-covered O-terminated MgO (111) surfaces, respectively.

The SF6 molecule undergoes a self-decomposition on the 1.0 ML hydroxylated surface via a surface bonding

process. This study shows that defective and hydroxylated MgO surfaces have the surface capacities for SF6

activation, which shows that MgO has potential as packing material in SF6 waste treatment in packed-bed

plasmas.
 
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000916285000001 Publication Date 2022-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2468-0230 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.2 Times cited Open Access OpenAccess  
  Notes National Natural Science Foundation of China, 52207155 ; Fonds Wetenschappelijk Onderzoek; Vlaams Supercomputer Centrum; Vlaamse regering; Approved Most recent IF: 6.2; 2023 IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:194364 Serial 7244  
Permanent link to this record
 

 
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. pdf  url
doi  openurl
  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 (down) 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 7327  
Permanent link to this record
 

 
Author Khalilov, U.; Yusupov, M.; Eshonqulov, Gb.; Neyts, Ec.; Berdiyorov, Gr. pdf  url
doi  openurl
  Title Atomic level mechanisms of graphene healing by methane-based plasma radicals Type A1 Journal article
  Year 2023 Publication FlatChem Abbreviated Journal FlatChem  
  Volume 39 Issue Pages 100506  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000990342500001 Publication Date 2023-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2452-2627 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 6.2 Times cited Open Access OpenAccess  
  Notes U.K., M.Y. and G.B.E. acknowledge the support of the Agency for Innovative Development of the Republic of Uzbekistan (Grant numbers F-FA-2021-512 and FZ-2020092435). The computational resources and services used in this work were partially provided by the HPC core facility CalcUA of the Universiteit Antwerpen and VSC (Flemish Supercomputer Center), funded by the FWO and the Flemish Government. Approved Most recent IF: 6.2; 2023 IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:197442 Serial 8813  
Permanent link to this record
 

 
Author Baetens, D.; Schoofs, K.; Somers, N.; Denys, S. pdf  url
doi  openurl
  Title A brief review on Multiphysics modelling of the various physical and chemical phenomena occurring in active oxidation reactors Type A1 Journal article
  Year 2023 Publication Current opinion in green and sustainable chemistry Abbreviated Journal  
  Volume 40 Issue Pages 100764-100766  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Heterogeneous photocatalysis can be used as an advanced oxidation technology frequently studied for application in photoreactors for air and water treatment. Extensive experimental investigation entails high costs and is also time consuming. Multiphysics modelling, a relatively new numerical method, provides a cost-effective and valuable alternative. By reconstructing the reactor geometry in dedicated software, meshing it and solving for occurring physical and chemical phenomena, Multiphysics models can be used to evaluate the performance of different reactor designs, increase insight into the occurring phenomena and study the influence of operational parameters on reactor performance. Finally, Multiphysics models are also developed for various applications like optimising the operational parameters, creating the ideal reactor design or scaling up a lab-scale reactor to a realistic prototype.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000947344000001 Publication Date 2023-02-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2452-2236 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 9.3 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 9.3; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:195208 Serial 7278  
Permanent link to this record
 

 
Author Perreault, P.; Van Hoecke, L.; Pourfallah, H.; Kummamuru, N.B.; Boruntea, C.-R.; Preuster, P. pdf  url
doi  openurl
  Title Critical challenges towards the commercial rollouts of a LOHC-based H2 economy Type A1 Journal article
  Year 2023 Publication Current opinion in green and sustainable chemistry Abbreviated Journal  
  Volume 41 Issue Pages 100836-100838  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract This short review discusses recent developments related to the storage and release of hydrogen from liquid organic hydrogen carriers (LOHCs). It focusses on three areas of recent literature: the application and development of novel, alternative LOHC systems, process development and process integration in the storage and release of hydrogen from LOHCs, and the electrochemical conversion of LOHCs. For the novel LOHC systems, we briefly focus on reaction enthalpy and storage capacity as main KPIs for the comparison of those systems and discuss the technical availability on a relevant scale. In the field of process- and reactor development our emphasis lies on the power density of the chemical conversion units. The LOHC technology still requires further development to reach the necessary energy efficiency, flexibility and overall research maturity for market competitivity and commercial impact.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001019180100001 Publication Date 2023-05-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2452-2236 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.3 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 9.3; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:196520 Serial 8845  
Permanent link to this record
 

 
Author Perreault, P.; Preuster, P. pdf  doi
openurl 
  Title Editorial hydrogen production storage and use Type Editorial
  Year 2023 Publication Current opinion in green and sustainable chemistry Abbreviated Journal  
  Volume 44 Issue Pages 100861-100863  
  Keywords Editorial; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In the pursuit of clean and sustainable energy sources, hydrogen has emerged as a key contender, offering high energy density and the potential to serve as a carbon-neutral fuel. However, one of the major challenges associated with hydrogen is efficient and safe storage and transportation. In this Special Edition, we delve into the exciting developments in the upcoming hydrogen economy, from its sustainable production to chemical hydrogen storage. Some of our reviews focus on particular technologies namely on liquid organic hydrogen carriers (LOHCs) and the utilization of ammonia as a hydrogen carrier.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001079651000001 Publication Date 2023-08-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2452-2236 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 9.3 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 9.3; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:198505 Serial 8853  
Permanent link to this record
 

 
Author Verbruggen, S.W.; Mul, G. pdf  doi
openurl 
  Title Editorial overview : photocatalysis 2022 shining light on a diversity of research opportunities Type Editorial
  Year 2023 Publication Current opinion in green and sustainable chemistry Abbreviated Journal  
  Volume 42 Issue Pages 100838-2  
  Keywords Editorial; Engineering sciences. Technology  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001034184800001 Publication Date 2023-06-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2452-2236 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 9.3 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 9.3; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:197220 Serial 8854  
Permanent link to this record
 

 
Author Beckwee, E.J.; Watson, G.; Houlleberghs, M.; Arenas Esteban, D.; Bals, S.; Van Der Voort, P.; Breynaert, E.; Martens, J.; Baron, G.V.; Denayer, J.F.M. url  doi
openurl 
  Title Enabling hydrate-based methane storage under mild operating conditions by periodic mesoporous organosilica nanotubes Type A1 Journal article
  Year 2023 Publication Heliyon Abbreviated Journal  
  Volume 9 Issue 7 Pages e17662-14  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Biomethane is a renewable natural gas substitute produced from biogas. Storage of this sustainable energy vector in confined clathrate hydrates, encapsulated in the pores of a host material, is a highly promising avenue to improve storage capacity and energy efficiency. Herein, a new type of periodic mesoporous organosilica (PMO) nanotubes, referred to as hollow ring PMO (HR-PMO), capable of promoting methane clathrate hydrate formation under mild working conditions (273 K, 3.5 MPa) and at high water loading (5.1 g water/g HR-PMO) is reported. Gravimetric uptake measurements reveal a steep single-stepped isotherm and a noticeably high methane storage capacity (0.55 g methane/g HR-PMO; 0.11 g methane/g water at 3.5 MPa). The large working capacity throughout consecutive pressure-induced clathrate hydrate formationdissociation cycles demonstrates the material's excellent recyclability (97% preservation of capacity). Supported by ex situ cryo-electron tomography and x-ray diffraction, HR-PMO nanotubes are hypothesized to promote clathrate hydrate nucleation and growth by distribution and confinement of water in the mesopores of their outer wall, along the central channels of the nanotubes and on the external nanotube surface. These findings showcase the potential for application of organosilica materials with hierarchical and interconnected pore systems for pressure-based storage of biomethane in confined clathrate hydrates.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001056264100001 Publication Date 2023-06-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2405-8440 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 4 Open Access OpenAccess  
  Notes E.J.B., G.W. and M.H. contributed equally to this work. M.H. acknowledges FWO for an FWO-SB fellowship. All authors acknowledge VLAIO for Moonshot funding (ARCLATH, n ? HBC.2019.0110, ARCLATH2, n ? HBC.2021.0254) . J.A.M. acknowledges the Flemish Government for long-term structural funding (Methusalem) and department EWI for infrastructure investment via the Hermes Fund (AH.2016.134) . NMRCoRe acknowledges the Flemish government, department EWI for financial support as International Research Infrastructure (I001321N: Nuclear Magnetic Resonance Spectroscopy Platform for Molecular Water Research) . J.A.M. acknowledges the European Research Council (ERC) for an Advanced Research Grant under the European Union's Horizon 2020 research and innovation program under grant agreement No. 834134 (WATUSO) . S.B acknowledges financial support by the Research Foundation Flanders (FWO grant G.0381.16N) . This project also received funding from the European Union's Horizon 2020 research and innovation program under grant agreement No 731019 (EUSMI) and No 815128 (REALNANO) . Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199249 Serial 8862  
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Author Le Compte, M.; Cardenas De La Hoz, E.; Peeters, S.; Rodrigues Fortes, F.; Hermans, C.; Domen, A.; Smits, E.; Lardon, F.; Vandamme, T.; Lin, A.; Vanlanduit, S.; Roeyen, G.; van Laere, S.; Prenen, H.; Peeters, M.; Deben, C. url  doi
openurl 
  Title Single-organoid analysis reveals clinically relevant treatment-resistant and invasive subclones in pancreatic cancer Type A1 Journal article
  Year 2023 Publication npj Precision Oncology Abbreviated Journal  
  Volume 7 Issue 1 Pages 128-14  
  Keywords A1 Journal article; Center for Oncological Research (CORE); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC)  
  Abstract Pancreatic ductal adenocarcinoma (PDAC) is one of the most lethal diseases, characterized by a treatment-resistant and invasive nature. In line with these inherent aggressive characteristics, only a subset of patients shows a clinical response to the standard of care therapies, thereby highlighting the need for a more personalized treatment approach. In this study, we comprehensively unraveled the intra-patient response heterogeneity and intrinsic aggressive nature of PDAC on bulk and single-organoid resolution. We leveraged a fully characterized PDAC organoid panel ( N  = 8) and matched our artificial intelligence-driven, live-cell organoid image analysis with retrospective clinical patient response. In line with the clinical outcomes, we identified patient-specific sensitivities to the standard of care therapies (gemcitabine-paclitaxel and FOLFIRINOX) using a growth rate-based and normalized drug response metric. Moreover, the single-organoid analysis was able to detect resistant as well as invasive PDAC organoid clones, which was orchestrates on a patient, therapy, drug, concentration and time-specific level. Furthermore, our in vitro organoid analysis indicated a correlation with the matched patient progression-free survival (PFS) compared to the current, conventional drug response readouts. This work not only provides valuable insights on the response complexity in PDAC, but it also highlights the potential applications (extendable to other tumor types) and clinical translatability of our approach in drug discovery and the emerging era of personalized medicine.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001118015800001 Publication Date 2023-12-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2397-768x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201455 Serial 9091  
Permanent link to this record
 

 
Author Wang, L.; Shi, P.; Chen, L.; Gielis, J.; Niklas, K.J. pdf  url
doi  openurl
  Title Evidence that Chinese white olive (Canarium album(Lour.) DC.) fruits are solids of revolution Type A1 Journal article
  Year 2023 Publication Botany letters Abbreviated Journal  
  Volume Issue Pages 1-7  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Although many fruit geometries resemble a solid of revolution, this assumption has rarely been rigorously examined. To test this assumption, 574 fruits of Canarium album (Lour.) DC. which appear to have an ellipsoidal shape, were examined to determine the validity of a general avian-based egg-shape equation, referred to as the explicit Preston equation (EPE). The assumption that the C. album fruit geometry is a solid of revolution is tested by applying the volume formula for a solid of revolution using the EPE. The goodness of fit of the EPE was assessed using the adjusted root-mean-square error (RMSEadj). The relationship between the observed volume (Vobs) of each fruit, as measured by water displacement in a graduated cylinder, and the predicted volumes (Vpre) based on the EPE was also evaluated using the equation Vpre = slope * Vobs. All the RMSEadj values were smaller than 0.05, which demonstrated the validity of the EPE based on C. album fruit profiles. The 95% confidence interval of the slope of Vpre vs. Vobs included 1.0, indicating that there was no significant difference between Vpre and Vobs. The data confirm that C. album fruits are solids of revolution. This study provides a new approach for calculating the volume and surface area of geometrically similar fruits, which can be extended to other species with similar fruit geometries to further explore the ontogeny and evolution of angiosperm reproductive organs.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001033135400001 Publication Date 2023-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2381-8107; 2381-8115 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.5 Times cited Open Access Not_Open_Access: Available from 24.01.2024  
  Notes Approved Most recent IF: 1.5; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:198001 Serial 8864  
Permanent link to this record
 

 
Author Li, Q.; Niklas, K.J.J.; Niinemets, U.; Zhang, L.; Yu, K.; Gielis, J.; Gao, J.; Shi, P. url  doi
openurl 
  Title Stomatal shape described by a superellipse in four Magnoliaceae species Type A1 Journal article
  Year 2023 Publication Botany letters Abbreviated Journal  
  Volume Issue Pages 1-9  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Stomata are essential for the exchange of water vapour and atmospheric gases between vascular plants and their external environments. The stomatal geometries of many plants appear to be elliptical. However, prior studies have not tested whether this is a mathematical reality, particularly since many natural shapes that appear to be ellipses are superellipses with greater or smaller edge curvature than predicted for an ellipse. Compared with the ellipse equation, the superellipse equation includes an additional parameter that allows generation of a larger range of shapes. We randomly selected 240 stomata from each of four Magnoliaceae species to test whether the stomatal geometries are superellipses or ellipses. The stomatal geometries for most stomata (943/960) were found to be described better using the superellipse equation. The traditional “elliptical stomata hypothesis” resulted in an underestimation of the area of stomata, whereas the superellipse equation accurately predicted stomatal area. This finding has important implications for the estimation of stomatal area in studies looking at stomatal shape, geometry, and function.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001024190300001 Publication Date 2023-07-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2381-8107; 2381-8115 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 1.5 Times cited Open Access Not_Open_Access: Available from 12.01.2024  
  Notes Approved Most recent IF: 1.5; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:197847 Serial 8935  
Permanent link to this record
 

 
Author Parrilla, M.; Detamornrat, U.; Domínguez-Robles, J.; Tunca, S.; Donnelly, R.F.; De Wael, K. pdf  url
doi  openurl
  Title Wearable microneedle-based array patches for continuous electrochemical monitoring and drug delivery : toward a closed-loop system for methotrexate treatment Type A1 Journal article
  Year 2023 Publication ACS sensors Abbreviated Journal  
  Volume Issue Pages acssensors.3c01381-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)  
  Abstract Wearable devices based on microneedle (MN) technology have recently emerged as tools for in situ transdermal sensing or delivery in interstitial fluid (ISF). Particularly, MN-based electrochemical sensors allow the continuous monitoring of analytes in a minimally invasive manner through ISF. Exogenous small molecules found in ISF such as therapeutic drugs are ideal candidates for MN sensors due to their correlation with blood levels and their relevance for the optimal management of personalized therapies. Herein, a hollow MN array patch is modified with conductive pastes and functionalized with cross-linked chitosan to develop an MN-based voltammetric sensor for continuous monitoring of methotrexate (MTX). Interestingly, the chitosan coating avoids biofouling while enabling the adsorption of MTX at the electrode’s surface for sensitive analysis. The MN sensor exhibits excellent analytical performance in vitro with protein-enriched artificial ISF and ex vivo under a Franz diffusion cell configuration. The MN sensor shows a linear range from 25 to 400 μM, which fits within the therapeutic range of high-dose MTX treatment for cancer patients and an excellent continuous operation for more than two days. Moreover, an iontophoretic hollow MN array patch is developed with the integration of both the anode and cathode in the single MN array patch. The ex vivo characterization demonstrates the transdermal on-demand drug delivery of MTX. Overall, the combination of both MN patches represents impactful progress in closed-loop systems for therapeutic drug management in disorders such as cancer, rheumatoid arthritis, or psoriasis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001109702900001 Publication Date 2023-10-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2379-3694 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 8.9 Times cited Open Access Not_Open_Access: Available from 19.04.2024  
  Notes Approved Most recent IF: 8.9; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:200074 Serial 8956  
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Author Broers, F.T.H.; Verslype, I.; Bossers, K.W.; Vanmeert, F.; Gonzalez, V.; Garrevoet, J.; van Loon, A.; va Duijn, E.; Krekeler, A.; De Keyser, N.; Steeman, I.; Noble, P.; Janssens, K.; Meirer, F.; Keune, K. url  doi
openurl 
  Title Correlated x-ray fluorescence and ptychographic nano-tomography on Rembrandt's The Night Watch reveals unknown lead “layer” Type A1 Journal article
  Year 2023 Publication Science Advances Abbreviated Journal  
  Volume 9 Issue 50 Pages eadj9394-13  
  Keywords A1 Journal article; Engineering sciences. Technology; Art; Antwerp X-ray Imaging and Spectroscopy (AXIS)  
  Abstract The Night Watch, one of the most famous masterpieces by Rembrandt, is the subject of a large research and conservation project. For the conservation treatment, it is of great importance to understand its current condition. Correlated nano-tomography using x-ray fluorescence and ptychography revealed a-so far unknown-lead-containing “layer”, which likely acts as a protective impregnation layer applied on the canvas before the quartz-clay ground was applied. This layer might explain the presence of lead soap protrusions in areas where no other lead components are present. In addition to the three-dimensional elemental mapping, ptychography visualizes and quantifies components not detectable by hard x-ray fluorescence such as the organic fraction and quartz. The first-time use of this combination of synchrotron-based techniques on a historic paint micro-sample shows it to be an important tool to better interpret the results of noninvasive imaging techniques operating on the macroscale.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001142514700010 Publication Date 2023-12-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2375-2548 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 13.6 Times cited Open Access  
  Notes Approved Most recent IF: 13.6; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:203849 Serial 9016  
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Author De Micco, V.; Amitrano, C.; Mastroleo, F.; Aronne, G.; Battistelli, A.; Carnero-Diaz, E.; De Pascale, S.; Detrell, G.; Dussap, C.-G.; Ganigué, R.; Jakobsen, Ø.M.; Poulet, L.; Van Houdt, R.; Verseux, C.; Vlaeminck, S.E.; Willaert, R.; Leys, N. url  doi
openurl 
  Title Plant and microbial science and technology as cornerstones to Bioregenerative Life Support Systems in space Type A1 Journal article
  Year 2023 Publication NPJ microgravity Abbreviated Journal  
  Volume 9 Issue 1 Pages 69-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Long-term human space exploration missions require environmental control and closed Life Support Systems (LSS) capable of producing and recycling resources, thus fulfilling all the essential metabolic needs for human survival in harsh space environments, both during travel and on orbital/planetary stations. This will become increasingly necessary as missions reach farther away from Earth, thereby limiting the technical and economic feasibility of resupplying resources from Earth. Further incorporation of biological elements into state-of-the-art (mostly abiotic) LSS, leading to bioregenerative LSS (BLSS), is needed for additional resource recovery, food production, and waste treatment solutions, and to enable more self-sustainable missions to the Moon and Mars. There is a whole suite of functions crucial to sustain human presence in Low Earth Orbit (LEO) and successful settlement on Moon or Mars such as environmental control, air regeneration, waste management, water supply, food production, cabin/habitat pressurization, radiation protection, energy supply, and means for transportation, communication, and recreation. In this paper, we focus on air, water and food production, and waste management, and address some aspects of radiation protection and recreation. We briefly discuss existing knowledge, highlight open gaps, and propose possible future experiments in the short-, medium-, and long-term to achieve the targets of crewed space exploration also leading to possible benefits on Earth.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001093834300001 Publication Date 2023-08-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2373-8065 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199050 Serial 8916  
Permanent link to this record
 

 
Author Borah, R.; Ag, K.R.; Minja, A.C.; Verbruggen, S.W. pdf  url
doi  openurl
  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 (down) 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 7336  
Permanent link to this record
 

 
Author Parchomenko, A.; De Smet, S.; Pals, E.; Vanderreydt, I.; Van Opstal, W. url  doi
openurl 
  Title The circular economy potential of reversible bonding in smartphones Type A1 Journal article
  Year 2023 Publication Sustainable Production and Consumption Abbreviated Journal  
  Volume 41 Issue Pages 362-378  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The increased use of adhesive bonding in manufacturing is an important barrier to implement circular economy strategies, including repair, refurbishment, and high-quality recycling. The circular economy potential of reversible adhesives that are debondable on demand, however, remains largely unexplored. In this paper we apply an integrated technology-agnostic framework to smartphones to identify and quantify the circular econ-omy potential of reversible bonding. In this framework we combine insights from Life Cycle Assessment, Life Cycle Costing, and Statistical Entropy Analysis. We find that reversible bonding of smartphones can be an enabler for circular strategies and have a considerable positive impact on preserving higher functionality on a product, component, and material level. The major added value of reversible bonding is its potential to replace and update parts, retaining the main environmental hotspot of a smartphone. Firms, however, will not likely switch to this technology, even though bonding and debonding make up only a small fraction of total lifecycle costs. Therefore, policy recommendations include mandatory policies on repairability and public procurement favouring the use of reversible bonding techniques. This would alter incentives in contexts where consumer preferences for lease markets cannot be taken for granted. The evaluation of different debonding scenarios from three distinct per-spectives provides a comprehensive, more reliable, and robust understanding of the trade-offs related to debonding and its potential contribution to the circular economy.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001078407500001 Publication Date 2023-09-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2352-5509 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 12.1 Times cited Open Access  
  Notes Approved Most recent IF: 12.1; 2023 IF: NA  
  Call Number UA @ admin @ c:irua:200307 Serial 9104  
Permanent link to this record
 

 
Author Tiwari, S.; Van de Put, M.L.; Temst, K.; Vandenberghe, W.G.; Sorée, B. doi  openurl
  Title Atomistic modeling of spin and electron dynamics in two-dimensional magnets switched by two-dimensional topological insulators Type A1 Journal article
  Year 2023 Publication Physical review applied Abbreviated Journal  
  Volume 19 Issue 1 Pages 014040-14049  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract To design fast memory devices, we need material combinations that can facilitate fast read and write operations. We present a heterostructure comprising a two-dimensional (2D) magnet and a 2D topological insulator (TI) as a viable option for designing fast memory devices. We theoretically model the spin-charge dynamics between 2D magnets and 2D TIs. Using the adiabatic approximation, we combine the nonequi-librium Green's function method for spin-dependent electron transport and a time-quantified Monte Carlo method for simulating magnetization dynamics. We show that it is possible to switch a magnetic domain of a ferromagnet using the spin torque from spin-polarized edge states of a 2D TI. We show further that the switching of 2D magnets by TIs is strongly dependent on the interface exchange (Jint), and an opti-mal interface exchange, is required for efficient switching. Finally, we compare experimentally grown Cr compounds and show that Cr compounds with higher anisotropy (such as CrI3) result in a lower switching speed but a more stable magnetic order.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000920227500002 Publication Date 2023-01-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2331-7019 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.6 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 4.6; 2023 IF: 4.808  
  Call Number UA @ admin @ c:irua:194312 Serial 7283  
Permanent link to this record
 

 
Author Foltyn, M.; Norowski, K.; Wyszynski, M.J.; De Arruda, A.S.; Milošević, M.V.; Zgirski, M. doi  openurl
  Title Probing confined vortices with a superconducting nanobridge Type A1 Journal article
  Year 2023 Publication Physical review applied Abbreviated Journal  
  Volume 19 Issue 4 Pages 044073-12  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract We realize a superconducting nanodevice in which vortex traps in the form of an aluminum square are integrated with a Dayem nanobridge. We perform field cooling of the traps arriving to different vortex configurations, dependent on the applied magnetic field, to demonstrate that the switching current of the bridge is highly sensitive to the presence and location of vortices in the trap. Our measurements exhibit unprecedented precision and ability to detect the first and successive vortex entries into all fabricated traps, from few hundred nm to 2 mu m in size. The experimental results are corroborated by Ginzburg-Landau simulations, which reveal the subtle yet crucial changes in the density of the superconducting condensate in the vicinity of the bridge with every additional vortex entry and relocation inside the trap. An ease of integration and simplicity make our design a convenient platform for studying dynamics of vortices in strongly confining geometries, involving a promise to manipulate vortex states electronically with simultaneous in situ control and monitoring.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000980861100007 Publication Date 2023-04-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2331-7019 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.6 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 4.6; 2023 IF: 4.808  
  Call Number UA @ admin @ c:irua:197356 Serial 8918  
Permanent link to this record
 

 
Author Akande, S.O.; Samanta, B.; Sevik, C.; Cakir, D. doi  openurl
  Title First-principles investigation of mechanical and thermal properties of M Al B (M = Mo, W), Cr₂ AlB₂, and Ti₂ In B₂ Type A1 Journal article
  Year 2023 Publication Physical review applied Abbreviated Journal  
  Volume 20 Issue 4 Pages 044064-17  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract The atomically laminated layered ternary transition-metal borides (the MAB phases) have demonstrated outstanding properties and have been applied in various fields. Understanding their thermal and mechanical properties is critical to determining their applicability in various fields such as high-temperature applications. To achieve this, we conducted first-principles calculations based on density-functional theory and the quasiharmonic approximation to determine the thermal expansion coefficients, Gruneisen parameters, bulk moduli, hardness, thermal conductivity, electron-phonon coupling parameters, and the structural and vibrational properties of MoAlB, WAlB, Cr2AlB2, and Ti2InB2. We found varying degrees of anisotropy in the thermal expansion and mechanical properties in spite of similarities in their crystal structures. MoAlB has a mild degree of anisotropy in its thermal expansion coefficient (TEC), while Cr2AlB2 and WAlB display the highest level of TEC anisotropy. We assessed various empirical models to calculate hardness and thermal conductivity, and correlated the calculated values with the material properties such as elastic moduli, Gruneisen parameter, Debye temperature, and type of bonding. Owing to their higher Gruneisen parameters, implying a greater degree of anharmonicity in lattice vibrations and lower phonon group velocities, MoAlB and WAlB have significantly lower lattice thermal conductivity values than those of Cr2AlB2 and Ti2InB2. The hardness and lattice thermal conductivity of MAB phases can be predicted with high accuracy if one utilizes an appropriate model.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001106456600003 Publication Date 2023-10-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2331-7019 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 4.6 Times cited Open Access  
  Notes Approved Most recent IF: 4.6; 2023 IF: 4.808  
  Call Number UA @ admin @ c:irua:202078 Serial 9037  
Permanent link to this record
 

 
Author Mangnus, M.J.J.; de Wit, J.W.; Vonk, S.J.W.; Geuchies, J.J.; Albrecht, W.; Bals, S.; Houtepen, A.J.; Rabouw, F.T. url  doi
openurl 
  Title High-throughput characterization of single-quantum-dot emission spectra and spectral diffusion by multiparticle spectroscopy Type A1 Journal article
  Year 2023 Publication ACS Photonics Abbreviated Journal  
  Volume 10 Issue 8 Pages 2688-2698  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract In recent years, quantum dots (QDs) have emerged as bright,color-tunablelight sources for various applications such as light-emitting devices,lasing, and bioimaging. One important next step to advance their applicabilityis to reduce particle-to-particle variations of the emission propertiesas well as fluctuations of a single QD's emission spectrum,also known as spectral diffusion (SD). Characterizing SD is typicallyinefficient as it requires time-consuming measurements at the single-particlelevel. Here, however, we demonstrate multiparticle spectroscopy (MPS)as a high-throughput method to acquire statistically relevant informationabout both fluctuations at the single-particle level and variationsat the level of a synthesis batch. In MPS, we simultaneously measureemission spectra of many (20-100) QDs with a high time resolution.We obtain statistics on single-particle emission line broadening fora batch of traditional CdSe-based core-shell QDs and a batchof the less toxic InP-based core-shell QDs. The CdSe-basedQDs show significantly narrower homogeneous line widths, less SD,and less inhomogeneous broadening than the InP-based QDs. The timescales of SD are longer in the InP-based QDs than in the CdSe-basedQDs. Based on the distributions and correlations in single-particleproperties, we discuss the possible origins of line-width broadeningof the two types of QDs. Our experiments pave the way to large-scale,high-throughput characterization of single-QD emission propertiesand will ultimately contribute to facilitating rational design offuture QD structures.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001009443500001 Publication Date 2023-06-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2330-4022 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7 Times cited 1 Open Access OpenAccess  
  Notes This work was supported by The Netherlands Center for Multiscale Catalytic Energy Conversion (MCEC), an NWO Gravitation Programme funded by the Ministry of Education, Culture and Science of the government of The Netherlands. The electron microscopy experiments at EMAT were supported by the European Commission (EUSMI grant E210100474). Approved Most recent IF: 7; 2023 IF: 6.756  
  Call Number UA @ admin @ c:irua:197337 Serial 8879  
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Author Faust, V.; Boon, N.; Ganigué, R.; Vlaeminck, S.E.; Udert, K.M. url  doi
openurl 
  Title Optimizing control strategies for urine nitrification : narrow pH control band enhances process stability and reduces nitrous oxide emissions Type A1 Journal article
  Year 2023 Publication Frontiers in environmental science Abbreviated Journal  
  Volume 11 Issue Pages 1275152-14  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Nitrification is well-suited for urine stabilization. No base dosage is required if the pH is controlled within an appropriate operating range by urine feeding, producing an ammonium-nitrate fertilizer. However, the process is highly dependent on the selected pH set-points and is susceptible to process failures such as nitrite accumulation or the growth of acid-tolerant ammonia-oxidizing bacteria. To address the need for a robust and reliable process in decentralized applications, two different strategies were tested: operating a two-position pH controller (inflow on/off) with a narrow pH control band at 6.20/6.25 (∆pH = 0.05, narrow-pH) vs. a wider pH control band at 6.00/6.50 (∆pH = 0.50, wide-pH). These variations in pH also cause variations in the chemical speciation of ammonia and nitrite and, as shown, the microbial production of nitrite. It was hypothesized that the higher fluctuations would result in greater microbial diversity and, thus, a more robust process. The diversity of nitrifiers was higher in the wide-pH reactor, while the diversity of the entire microbiome was similar in both systems. However, the wide-pH reactor was more susceptible to tested process disturbances caused by increasing pH or temperature, decreasing dissolved oxygen, or an influent stop. In addition, with an emission factor of 0.47%, the nitrous oxide (N2O) emissions from the wide-pH reactor were twice as high as the N2O emissions from the narrow-pH reactor, most likely due to the nitrite fluctuations. Based on these results, a narrow control band is recommended for pH control in urine nitrification.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001087861500001 Publication Date 2023-10-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2296-665x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199585 Serial 8909  
Permanent link to this record
 

 
Author Zhang, H.; Jin, Q.; Hu, T.; Liu, X.; Zhang, Z.; Hu, C.; Zhou, Y.; Han, Y.; Wang, X. url  doi
openurl 
  Title Electron-irradiation-facilitated production of chemically homogenized nanotwins in nanolaminated carbides Type A1 Journal article
  Year 2023 Publication Journal of Advanced Ceramics Abbreviated Journal  
  Volume 12 Issue 6 Pages 1288-1297  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Twin boundaries have been exploited to stabilize ultrafine grains and improve mechanical properties of nanomaterials. The production of the twin boundaries and nanotwins is however prohibitively challenging in carbide ceramics. Using a scanning transmission electron microscope as a unique platform for atomic-scale structure engineering, we demonstrate that twin platelets could be produced in carbides by engineering antisite defects. The antisite defects at metal sites in various layered ternary carbides are collectively and controllably generated, and the metal elements are homogenized by electron irradiation, which transforms a twin-like lamellae into nanotwin platelets. Accompanying chemical homogenization, alpha-Ti3AlC2 transforms to unconventional beta-Ti3AlC2. The chemical homogeneity and the width of the twin platelets can be tuned by dose and energy of bombarding electrons. Chemically homogenized nanotwins can boost hardness by similar to 45%. Our results provide a new way to produce ultrathin (< 5 nm) nanotwin platelets in scientifically and technologically important carbide materials and showcase feasibility of defect engineering by an angstrom-sized electron probe.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001004930200012 Publication Date 2023-04-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2226-4108; 2227-8508 ISBN Additional Links UA library record; WoS full record  
  Impact Factor 16.9 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 16.9; 2023 IF: 1.198  
  Call Number UA @ admin @ c:irua:197470 Serial 8860  
Permanent link to this record
 

 
Author Huang, L.; Ratkowsky, D.A.; Hui, C.; Gielis, J.; Lian, M.; Shi, P. url  doi
openurl 
  Title Inequality measure of leaf area distribution for a drought-tolerant landscape plant Type A1 Journal article
  Year 2023 Publication Plants Abbreviated Journal  
  Volume 12 Issue 17 Pages 3143-11  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Measuring the inequality of leaf area distribution per plant (ILAD) can provide a useful tool for quantifying the influences of intra- and interspecific competition, foraging behavior of herbivores, and environmental stress on plants’ above-ground architectural structures and survival strategies. Despite its importance, there has been limited research on this issue. This paper aims to fill this gap by comparing four inequality indices to measure ILAD, using indices for quantifying household income that are commonly used in economics, including the Gini index (which is based on the Lorenz curve), the coefficient of variation, the Theil index, and the mean log deviation index. We measured the area of all leaves for 240 individual plants of the species Shibataea chinensis Nakai, a drought-tolerant landscape plant found in southern China. A three-parameter performance equation was fitted to observations of the cumulative proportion of leaf area vs. the cumulative proportion of leaves per plant to calculate the Gini index for each individual specimen of S. chinensis. The performance equation was demonstrated to be valid in describing the rotated and right shifted Lorenz curve, given that >96% of root-mean-square error values were smaller than 0.004 for 240 individual plants. By examining the correlation between any of the six possible pairs of indices among the Gini index, the coefficient of variation, the Theil index, and the mean log deviation index, the data show that these indices are closely related and can be used interchangeably to quantify ILAD.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001065193100001 Publication Date 2023-08-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2223-7747 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:199564 Serial 8886  
Permanent link to this record
 

 
Author Gao, J.; Huang, W.; Gielis, J.; Shi, P. url  doi
openurl 
  Title Plant morphology and function, geometric morphometrics, and modelling : decoding the mathematical secrets of plants Type Editorial
  Year 2023 Publication Plants Abbreviated Journal  
  Volume 12 Issue 21 Pages 3724-2  
  Keywords Editorial; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001103336500001 Publication Date 2023-10-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN (down) 2223-7747 ISBN Additional Links UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:201173 Serial 9072  
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