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Author Sabzalipour, A.; Mir, M.; Zarenia, M.; Partoens, B.
Title Two distinctive regimes in the charge transport of a magnetic topological ultra thin film Type A1 Journal article
Year 2020 Publication New Journal Of Physics Abbreviated Journal New J Phys
Volume 22 Issue 12 Pages 123004
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The effect of the magnetic impurities on the charge transport in a magnetic topological ultra-thin film (MTF) is analytically investigated by applying the semi-classical Boltzmann framework through a modified relaxation-time approximation. Our results for the relaxation time of electrons as well as the charge conductivity of the system exhibit two distinct regimes of transport. We show that the generated charge current in a MTF is always dissipative and anisotropic when both conduction bands are involved in the charge transport. The magnetic impurities induce a chirality selection rule for the transitions of electrons which can be altered by changing the orientation of the magnetic impurities. On the other hand, when a single conduction band participates in the charge transport, the resistivity is isotropic and can be entirely suppressed due to the corresponding chirality selection rule. Our findings propose a method to determine an onset thickness at which a crossover from a three-dimensional magnetic topological insulator to a (two-dimensional) MTF occurs.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000596436300001 Publication Date 2020-11-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited (down) 2 Open Access
Notes ; MZ acknowledges support from the U.S. Department of Energy (Office of Science) under Grant No. DE-FG02- 05ER46203. ; Approved Most recent IF: 3.3; 2020 IF: 3.786
Call Number UA @ admin @ c:irua:174387 Serial 6701
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Author Chen, X.; Li, L.; Peeters, F.M.; Sanyal, B.
Title Two-dimensional oxygen functionalized honeycomb and zigzag dumbbell silicene with robust Dirac cones Type A1 Journal article
Year 2021 Publication New Journal Of Physics Abbreviated Journal New J Phys
Volume 23 Issue 2 Pages 023007
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Dumbbell-like structures are recently found to be energetically favored in group IV two-dimensional (2D) materials, exhibiting rich physics and many interesting properties. In this paper, using first-principles calculations, we have investigated the oxidized form of the hexagonal honeycomb (ODB-h) and zigzag dumbbell silicene (ODB-z). We confirm that both oxidization processes are energetically favorable, and their phonon spectra further demonstrate the dynamic stability. Contrary to the pristine dumbbell silicene structures (PDB-h and PDB-z silicene), these oxidized products ODB-h and ODB-z silicene are both semimetals with Dirac cones at the Fermi level. The Dirac cones of ODB-h and ODB-z silicene are at the K point and between Y and Gamma points respectively, possessing high Fermi velocities of 3.1 x 10(5) m s(-1) (ODB-h) and 2.9-3.4 x 10(5) m s(-1) (ODB-z). The origin of the Dirac cones is further explained by tight-binding models. The semimetallic properties of ODB-h and ODB-z are sensitive to compression due to the self-absorption effect, but quite robust against the tensile strain. These outstanding properties make oxidized dumbbell silicene a promising material for quantum computing and high-speed electronic devices.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000616114900001 Publication Date 2021-01-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1367-2630 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.786 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 3.786
Call Number UA @ admin @ c:irua:176575 Serial 6741
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Author Prabhakara, V.; Nuytten, T.; Bender, H.; Vandervorst, W.; Bals, S.; Verbeeck, J.
Title Linearized radially polarized light for improved precision in strain measurements using micro-Raman spectroscopy Type A1 Journal article
Year 2021 Publication Optics Express Abbreviated Journal Opt Express
Volume 29 Issue 21 Pages 34531
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Strain engineering in semiconductor transistor devices has become vital in the semiconductor industry due to the ever-increasing need for performance enhancement at the nanoscale. Raman spectroscopy is a non-invasive measurement technique with high sensitivity to mechanical stress that does not require any special sample preparation procedures in comparison to characterization involving transmission electron microscopy (TEM), making it suitable for inline strain measurement in the semiconductor industry. Indeed, at present, strain measurements using Raman spectroscopy are already routinely carried out in semiconductor devices as it is cost effective, fast and non-destructive. In this paper we explore the usage of linearized radially polarized light as an excitation source, which does provide significantly enhanced accuracy and precision as compared to linearly polarized light for this application. Numerical simulations are done to quantitatively evaluate the electric field intensities that contribute to this enhanced sensitivity. We benchmark the experimental results against TEM diffraction-based techniques like nano-beam diffraction and Bessel diffraction. Differences between both approaches are assigned to strain relaxation due to sample thinning required in TEM setups, demonstrating the benefit of Raman for nondestructive inline testing.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000708940500144 Publication Date 2021-10-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1094-4087 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.307 Times cited (down) 2 Open Access OpenAccess
Notes Horizon 2020 Framework Programme, 823717 – ESTEEM3 ; GOA project, “Solarpaint” ; Herculesstichting;; esteem3jra; esteem3reported; Approved Most recent IF: 3.307
Call Number EMAT @ emat @c:irua:182472 Serial 6816
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Author Bae, J.; Cichocka, M.O.; Zhang, Y.; Bacsik, Z.; Bals, S.; Zou, X.; Willhammar, T.; Hong, S.B.
Title Phase transformation behavior of a two-dimensional zeolite Type A1 Journal article
Year 2019 Publication Angewandte Chemie: international edition in English Abbreviated Journal
Volume 58 Issue 30 Pages 10230-10235
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Understanding the molecular-level mechanisms of phase transformation in solids is of fundamental interest for functional materials such as zeolites. Two-dimensional (2D) zeolites, when used as shape-selective catalysts, can offer improved access to the catalytically active sites and a shortened diffusion length in comparison with their 3D analogues. However, few materials are known to maintain both their intralayer microporosity and structure during calcination for organic structure-directing agent (SDA) removal. Herein we report that PST-9, a new 2D zeolite which has been synthesized via the multiple inorganic cation approach and fulfills the requirements for true layered zeolites, can be transformed into the small-pore zeolite EU-12 under its crystallization conditions through the single-layer folding process, but not through the traditional dissolution/recrystallization route. We also show that zeolite crystal growth pathway can differ according to the type of organic SDAs employed.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000476452700030 Publication Date 2019-05-22
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 Times cited (down) 2 Open Access OpenAccess
Notes We acknowledge financial support from National Creative Research Initiative Program (2012R1A3A-2048833) through the National Research Foundation of Korea, the National Research Council of Science & Technology (CRC-14-1-KRICT) grant by the Korea government (MSIP), the Swedish Research Council (2017-04321), and the Knut and Alice Wallenberg Foundation (KAW) through the project grant 3DEM-NATUR (2012.0112). T.W. acknowledges an international postdoc grant from the Swedish Research Council (2014-06948). Approved no
Call Number UA @ admin @ c:irua:181233 Serial 6878
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Author Miranda, L.P.; Milovanović, S.P.; Filho, R.N.C.; Peeters, F.M.
Title Hall and bend resistance of a phosphorene Hall bar Type A1 Journal article
Year 2021 Publication Physical Review B Abbreviated Journal Phys Rev B
Volume 104 Issue 3 Pages 035401
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The dependence of the Hall and bend resistances on a perpendicular magnetic field and on vacancy defects in a four-terminal phosphorene single layer Hall bar is investigated. A tight-binding model in combination with the Landauer-Buttiker formalism is used to calculate the energy spectrum, the lead-to-lead transmissions, and the Hall and bend resistances of the system. It is shown that the terminals with zigzag edge orientation are responsible for the absence of quantized plateaus in the Hall resistance and peaks in the longitudinal resistance. A negative bend resistance in the ballistic regime is found due to the presence of high- and low-energy transport modes in the armchair and zigzag terminals, respectively. The system density of states, with single vacancy defects, shows that the presence of in-gap states is proportional to the number of vacancies. Quantized plateaus in the Hall resistance are only formed in a sufficiently clean system. The effects of different kinds of vacancies where the plateaus are destroyed and a diffusive regime appears in the bend resistance are investigated.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000669002000003 Publication Date 2021-07-01
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 3.836 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 3.836
Call Number UA @ admin @ c:irua:179704 Serial 6997
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Author Zou, Y.-C.; Mogg, L.; Clark, N.; Bacaksiz, C.; Milanovic, S.; Sreepal, V.; Hao, G.-P.; Wang, Y.-C.; Hopkinson, D.G.; Gorbachev, R.; Shaw, S.; Novoselov, K.S.; Raveendran-Nair, R.; Peeters, F.M.; Lozada-Hidalgo, M.; Haigh, S.J.
Title Ion exchange in atomically thin clays and micas Type A1 Journal article
Year 2021 Publication Nature Materials Abbreviated Journal Nat Mater
Volume 20 Issue 12 Pages 1677-1682
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The physical properties of clays and micas can be controlled by exchanging ions in the crystal lattice. Atomically thin materials can have superior properties in a range of membrane applications, yet the ion-exchange process itself remains largely unexplored in few-layer crystals. Here we use atomic-resolution scanning transmission electron microscopy to study the dynamics of ion exchange and reveal individual ion binding sites in atomically thin and artificially restacked clays and micas. We find that the ion diffusion coefficient for the interlayer space of atomically thin samples is up to 10(4) times larger than in bulk crystals and approaches its value in free water. Samples where no bulk exchange is expected display fast exchange at restacked interfaces, where the exchanged ions arrange in islands with dimensions controlled by the moire superlattice dimensions. We attribute the fast ion diffusion to enhanced interlayer expandability resulting from weaker interlayer binding forces in both atomically thin and restacked materials. This work provides atomic scale insights into ion diffusion in highly confined spaces and suggests strategies to design exfoliated clay membranes with enhanced performance. Layered clays are of interest for membranes and many other applications but their ion-exchange dynamics remain unexplored in atomically thin materials. Here, using electron microscopy, it is found that the ion diffusion for few-layer two-dimensional clays approaches that of free water and that superlattice cation islands can form in twisted and restacked materials.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000689664000001 Publication Date 2021-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1476-1122; 1476-4660 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 39.737 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 39.737
Call Number UA @ admin @ c:irua:181691 Serial 6999
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Author Pandey, T.; Peeters, F.M.; Milošević, M.V.
Title Pivotal role of magnetic ordering and strain in lattice thermal conductivity of chromium-trihalide monolayers Type A1 Journal article
Year 2022 Publication 2D materials Abbreviated Journal 2D Mater
Volume 9 Issue 1 Pages 015034
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Understanding the coupling between spin and phonons is critical for controlling the lattice thermal conductivity (kappa ( l )) in magnetic materials, as we demonstrate here for CrX3 (X = Br and I) monolayers. We show that these compounds exhibit large spin-phonon coupling (SPC), dominated by out-of-plane vibrations of Cr atoms, resulting in significantly different phonon dispersions in ferromagnetic (FM) and paramagnetic (PM) phases. Lattice thermal conductivity calculations provide additional evidence for strong SPC, where particularly large kappa ( l ) is found for the FM phase. Most strikingly, PM and FM phases exhibit radically different behavior with tensile strain, where kappa ( l ) increases with strain for the PM phase, and strongly decreases for the FM phase-as we explain through analysis of phonon lifetimes and scattering rates. Taken all together, we uncover the high significance of SPC on the phonon transport in CrX3 monolayers, a result extendable to other 2D magnetic materials, that will be useful in further design of thermal spin devices.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000735170300001 Publication Date 2021-12-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2053-1583 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.5 Times cited (down) 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 5.5
Call Number UA @ admin @ c:irua:184642 Serial 7010
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Author Dong, H.M.; Tao, Z.H.; Duan, Y.F.; Li, L.L.; Huang, F.; Peeters, F.M.
Title Substrate dependent terahertz magneto-optical properties of monolayer WS2 Type A1 Journal article
Year 2021 Publication Optics Letters Abbreviated Journal Opt Lett
Volume 46 Issue 19 Pages 4892-4895
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Terahertz (THz) magneto-optical (MO) properties of monolayer (ML) tungsten disulfide (WS2), placed on different substrates and subjected to external magnetic fields, are studied using THz time-domain spectroscopy (TDS). We find that the THz MO conductivity exhibits a nearly linear response in a weak magnetic field, while a distinctly nonlinear/oscillating behavior is found in strong magnetic fields owing to strong substrate-induced random impurity scattering and interactions. The THz MO response of ML WS2 depends sensitively on the choice of the substrates, which we trace back to electronic localization and the impact of the substrates on the Landau level (LL) spectrum. Our results provide an in-depth understanding of the THz MO properties of ML WS2/substrate systems, especially the effect of substrates, which can be utilized to realize atomically thin THz MO nano-devices. (C) 2021 Optical Society of America
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000702746400048 Publication Date 2021-09-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0146-9592 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.416 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 3.416
Call Number UA @ admin @ c:irua:182526 Serial 7023
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Author Tao, Z.H.; Dong, H.M.; Milošević, M.V.; Peeters, F.M.; Van Duppen, B.
Title Tailoring dirac plasmons via anisotropic dielectric environment by design Type A1 Journal article
Year 2021 Publication Physical Review Applied Abbreviated Journal Phys Rev Appl
Volume 16 Issue 5 Pages 054030
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Dirac plasmons in a two-dimensional (2D) crystal are strongly affected by the dielectric properties of the environment, due to interaction of their electric field lines with the surrounding medium. Using graphene as a 2D reservoir of free carriers, one can engineer a material configuration that provides an anisotropic environment to the plasmons. In this work, we discuss the physical properties of Dirac plasmons in graphene surrounded by an arbitrary anisotropic dielectric and exemplify how h-BN-based heterostructures can be designed to bear the required anisotropic characteristics. We calculate how dielec-tric anisotropy impacts the spatial propagation of the plasmons and find that an anisotropy-induced plasmon mode emerges, together with a damping pathway, that stem from the out-of-plane off-diagonal elements in the dielectric tensor. Furthermore, we find that one can create hyperbolic plasmons by inher-iting the dielectric hyperbolicity of the designed material environment. Strong control over plasmon propagation patterns can be realized in a similar manner. Finally, we show that in this way one can also control the polarization of the light-matter excitations that constitute the plasmon. Taken together, our results promote the design of the dielectric environment as an effective path to tailor the plasmonic response of graphene on the nanoscopic level.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000720372500002 Publication Date 2021-11-15
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 4.808 Times cited (down) 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 4.808
Call Number UA @ admin @ c:irua:184063 Serial 7028
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Author Fatermans, J.; Romolini, G.; Altantzis, T.; Hofkens, J.; Roeffaers, M.B.J.; Bals, S.; Van Aert, S.
Title Atomic-scale detection of individual lead clusters confined in Linde Type A zeolites Type A1 Journal article
Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale
Volume Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Structural analysis of metal clusters confined in nanoporous materials is typically performed by X-ray-driven techniques. Although X-ray analysis has proved its strength in the characterization of metal clusters, it provides averaged structural information. Therefore, we here present an alternative workflow for bringing the characterization of confined metal clusters towards the local scale. This workflow is based on the combination of aberration-corrected transmission electron microscopy (TEM), TEM image simulations, and powder X-ray diffraction (XRD) with advanced statistical techniques. In this manner, we were able to characterize the clustering of Pb atoms in Linde Type A (LTA) zeolites with Pb loadings as low as 5 wt%. Moreover, individual Pb clusters could be directly detected. The proposed methodology thus enables a local-scale characterization of confined metal clusters in zeolites. This is important for further elucidation of the connection between the structure and the physicochemical properties of such systems.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000809619900001 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited (down) 2 Open Access OpenAccess
Notes The authors acknowledge the Research Foundation Flanders through project fundings (FWO, G026718N, G050218N, ZW15_09-G0H6316N, and W002221N) and through a PhD scholarship to G.R. (grant 11C6920N), as well as iBOF-21-085 PERSIST. T.A. and S.V.A. acknowledge funding from the University of Antwerp Research fund (BOF). J.H. acknowledges the Flemish government through long-term structural funding Methusalem (CASAS2, Meth/15/04) and the MPI as MPI fellow. M.R. acknowledges funding by the KU Leuven Research Fund (C14/19/079). S.B. and S.V.A. acknowledge funding from the European Research Council under the European Union’s Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128−REALNANO and No. 770887−PICOMETRICS). The authors thank Dr. D. Chernyshov for the collection of XRD measurements. Approved Most recent IF: 6.7
Call Number EMAT @ emat @c:irua:189061 Serial 7076
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Author Berdiyorov, G.R.; Peeters, F.M.; Hamoudi, H.
Title Effect of edge groups on the electronic transport properties of tetrapodal diazatriptycene molecule Type A1 Journal article
Year 2022 Publication Physica. E: Low-dimensional systems and nanostructures Abbreviated Journal Physica E
Volume 141 Issue Pages 115212-115216
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract We conduct ballistic transport calculations to study the electronic transport properties of diazatriptycene molecule which can be self-assembled on metallic surfaces with uniform coverage and upright orientation of the functional head group. Due to its structural asymmetry, the molecule shows a clear current rectification, where the level of the rectification depends on the nature of the head group. For example, current rectification can be increased by more than a factor of 2 by anchoring the molecules to the electrode by CN functional group or introducing insulating CH2 group between the thiol end group and the adjacent phenyl ring. Our findings show the possibility of creating self-assembled monolayer of DAT molecules with controlled electronic transport properties through functionalization of the head group.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000806548600006 Publication Date 2022-03-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited (down) 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:189041 Serial 7147
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Author Bekaert, J.; Sevik, C.; Milošević, M.V.
Title Enhancing superconductivity in MXenes through hydrogenation Type A1 Journal article
Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 14 Issue 27 Pages 9918-9924
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Two-dimensional transition metal carbides and nitrides (MXenes) are an emerging class of atomically-thin superconductors, whose characteristics are highly prone to tailoring by surface functionalization. Here we explore the use of hydrogen adatoms to enhance phonon-mediated superconductivity in MXenes, based on first-principles calculations combined with Eliashberg theory. We first demonstrate the stability of three different structural models of hydrogenated Mo- and W-based MXenes. Particularly high critical temperatures of over 30 K are obtained for hydrogenated Mo2N and W2N. Several mechanisms responsible for the enhanced electron-phonon coupling are uncovered, namely (i) hydrogen-induced changes in the phonon spectrum of the host MXene, (ii) emerging hydrogen-based phonon modes, and (iii) charge transfer from hydrogen to the MXene layer, boosting the density of states at the Fermi level. Finally, we demonstrate that hydrogen adatoms are moreover able to induce superconductivity in MXenes that are not superconducting in pristine form, such as Nb2C.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000820350600001 Publication Date 2022-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 6.7
Call Number UA @ admin @ c:irua:189580 Serial 7155
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Author Faraji, F.; Neek-Amal, M.; Neyts, E.C.; Peeters, F.M.
Title Indentation of graphene nano-bubbles Type A1 Journal article
Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 14 Issue 15 Pages 5876-5883
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Molecular dynamics simulations are used to investigate the effect of an AFM tip when indenting graphene nano bubbles filled by a noble gas (i.e. He, Ne and Ar) up to the breaking point. The failure points resemble those of viral shells as described by the Foppl-von Karman (FvK) dimensionless number defined in the context of elasticity theory of thin shells. At room temperature, He gas inside the bubbles is found to be in the liquid state while Ne and Ar atoms are in the solid state although the pressure inside the nano bubble is below the melting pressure of the bulk. The trapped gases are under higher hydrostatic pressure at low temperatures than at room temperature.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000776763000001 Publication Date 2022-03-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.7 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 6.7
Call Number UA @ admin @ c:irua:187924 Serial 7171
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Author Vizarim, N.P.; Souza, J.C.B.; Reichhardt, C.J.O.; Reichhardt, C.; Milošević, M.V.; Venegas, P.A.
Title Soliton motion in skyrmion chains : stabilization and guidance by nanoengineered pinning Type A1 Journal article
Year 2022 Publication Physical review B Abbreviated Journal Phys Rev B
Volume 105 Issue 22 Pages 224409-224412
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Using a particle-based model we examine the depinning motion of solitons in skyrmion chains in quasi -onedimensional (1D) and two-dimensional (2D) systems containing embedded 1D interfaces. The solitons take the form of a particle or hole in a commensurate chain of skyrmions. Under an applied drive, just above a critical depinning threshold, the soliton moves with a skyrmion Hall angle of zero. For higher drives, the entire chain depins, and in a 2D system we observe that both the solitons and chain move at zero skyrmion Hall angle and then transition to a finite skyrmion Hall angle as the drive increases. In a 2D system with a 1D interface that is at an angle to the driving direction, there can be a reversal of the sign of the skyrmion Hall angle from positive to negative. Our results suggest that solitons in skyrmion systems could be used as information carriers in racetrack geometries that would avoid the drawbacks of finite skyrmion Hall angles. The soliton states become mobile at significantly lower drives than the depinning transition of the skyrmion chains themselves.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000823038900004 Publication Date 2022-06-16
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 (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 3.7
Call Number UA @ admin @ c:irua:189671 Serial 7209
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Author van der Sluijs, M.M.; Salzmann, B.B.V.; Arenas Esteban, D.; Li, C.; Jannis, D.; Brafine, L.C.; Laning, T.D.; Reinders, J.W.C.; Hijmans, N.S.A.; Moes, J.R.; Verbeeck, J.; Bals, S.; Vanmaekelbergh, D.
Title Study of the Mechanism and Increasing Crystallinity in the Self-Templated Growth of Ultrathin PbS Nanosheets Type A1 Journal article
Year 2023 Publication Chemistry of materials Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Colloidal 2D semiconductor nanocrystals, the analogue of solid-state quantum wells, have attracted strong interest in material science and physics. Molar quantities of suspended quantum objects with spectrally pure absorption and emission can be synthesized. For the visible region, CdSe nanoplatelets with atomically precise thickness and tailorable emission have been (almost) perfected. For the near-infrared region, PbS nanosheets (NSs) hold strong promise, but the photoluminescence quantum yield is low and many questions on the crystallinity, atomic structure, intriguing rectangular shape, and formation mechanism remain to be answered. Here, we report on a detailed investigation of the PbS NSs prepared with a lead thiocyanate single source precursor. Atomically resolved HAADF-STEM imaging reveals the presence of defects and small cubic domains in the deformed orthorhombic PbS crystal lattice. Moreover, variations in thickness are observed in the NSs, but only in steps of 2 PbS monolayers. To study the reaction mechanism, a synthesis at a lower temperature allowed for the study of reaction intermediates. Specifically, we studied the evolution of pseudo-crystalline templates towards mature, crystalline PbS NSs. We propose a self-induced templating mechanism based on an oleylamine-lead-thiocyanate (OLAM-Pb-SCN) complex with two Pb-SCN units as a building block; the interactions between the long-chain ligands regulate the crystal structure and possibly the lateral dimensions.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000959572100001 Publication Date 2023-03-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.6 Times cited (down) 2 Open Access OpenAccess
Notes H2020 Research Infrastructures, 731019 ; H2020 European Research Council, 692691 815128 ; Nederlandse Organisatie voor Wetenschappelijk Onderzoek, 715.016.002 ; Approved Most recent IF: 8.6; 2023 IF: 9.466
Call Number EMAT @ emat @c:irua:195894 Serial 7255
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Author Skorikov, A.; Batenburg, K.J.; Bals, S.
Title Analysis of 3D elemental distribution in nanomaterials : towards higher throughput and dose efficiency Type A1 Journal article
Year 2023 Publication Journal of microscopy Abbreviated Journal
Volume 289 Issue 3 Pages 157-163
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Many advanced nanomaterials rely on carefully designed morphology and elemental distribution to achieve their functionalities. Among the few experimental techniques that can directly visualise the 3D elemental distribution on the nanoscale are approaches based on electron tomography in combination with energy-dispersive X-ray spectroscopy (EDXS) and electron energy loss spectroscopy (EELS). Unfortunately, these highly informative methods are severely limited by the fundamentally low signal-to-noise ratio, which makes long experimental times and high electron irradiation doses necessary to obtain reliable 3D reconstructions. Addressing these limitations has been the major research question for the development of these techniques in recent years. This short review outlines the latest progress on the methods to reduce experimental time and electron irradiation dose requirements for 3D elemental distribution analysis and gives an outlook on the development of this field in the near future.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000910532600001 Publication Date 2022-12-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-2720 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2 Times cited (down) 2 Open Access OpenAccess
Notes ERC Consolidator Grant, Grant/Award Number: 815128 Approved Most recent IF: 2; 2023 IF: 1.692
Call Number UA @ admin @ c:irua:193428 Serial 7281
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Author McNaughton, B.; Pinto, N.; Perali, A.; Milošević, M.V.
Title Causes and consequences of ordering and dynamic phases of confined vortex rows in superconducting nanostripes Type A1 Journal article
Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 12 Issue 22 Pages 4043-18
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Understanding the behaviour of vortices under nanoscale confinement in superconducting circuits is important for the development of superconducting electronics and quantum technologies. Using numerical simulations based on the Ginzburg-Landau theory for non-homogeneous superconductivity in the presence of magnetic fields, we detail how lateral confinement organises vortices in a long superconducting nanostripe, presenting a phase diagram of vortex configurations as a function of the stripe width and magnetic field. We discuss why the average vortex density is reduced and reveal that confinement influences vortex dynamics in the dissipative regime under sourced electrical current, mapping out transitions between asynchronous and synchronous vortex rows crossing the nanostripe as the current is varied. Synchronous crossings are of particular interest, since they cause single-mode modulations in the voltage drop along the stripe in a high (typically GHz to THz) frequency range.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000887683200001 Publication Date 2022-11-18
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2079-4991 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.3 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 5.3
Call Number UA @ admin @ c:irua:192731 Serial 7286
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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 (down) 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 7309
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Author Gauquelin, N.; Forte, F.; Jannis, D.; Fittipaldi, R.; Autieri, C.; Cuono, G.; Granata, V.; Lettieri, M.; Noce, C.; Miletto-Granozio, F.; Vecchione, A.; Verbeeck, J.; Cuoco, M.
Title Pattern Formation by Electric-Field Quench in a Mott Crystal Type A1 Journal article
Year 2023 Publication Nano letters Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The control of Mott phase is intertwined with the spatial reorganization of the electronic states. Out-of-equilibrium driving forces typically lead to electronic patterns that are absent at equilibrium, whose nature is however often elusive. Here, we unveil a nanoscale pattern formation in the Ca2 RuO4 Mott insulator. We demonstrate how an applied electric field spatially reconstructs the insulating phase that, uniquely after switching off the electric field, exhibits nanoscale stripe domains. The stripe pattern has regions with inequivalent octahedral distortions that we directly observe through high-resolution scanning transmission electron

microscopy. The nanotexture depends on the orientation of the electric field, it is non-volatile and rewritable. We theoretically simulate the charge and orbital reconstruction induced by a quench dynamics of the applied electric field providing clear-cut mechanisms for the stripe phase formation. Our results open the path for the design of non-volatile electronics based on voltage-controlled nanometric phases.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001012061600001 Publication Date 2023-05-18
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 (down) 2 Open Access OpenAccess
Notes This project has received funding from the European Union’s Horizon 2020 research and innova- tion programme under grant agreement No 823717 – ESTEEM3. The Merlin camera used in the experiment received funding from the FWO-Hercules fund G0H4316N ’Direct electron detector 15for soft matter TEM’. C. A. and G. C. are supported by the Foundation for Polish Science through the International Research Agendas program co-financed by the European Union within the Smart Growth Operational Programme. C. A. and G. C. acknowledge the access to the computing facil- ities of the Interdisciplinary Center of Modeling at the University of Warsaw, Grant No. GB84-0, GB84-1 and GB84-7 and GB84-7 and Poznan Supercomputing and Networking Center Grant No. 609.. C. A. and G. C. acknowledge the CINECA award under the ISCRA initiative IsC85 “TOP- MOST” Grant, for the availability of high-performance computing resources and support. We acknoweldge A. Guarino and C. Elia for providing support about the electrical characterization of the sample. M.C., R.F., and A.V. acknowledge support from the EU’s Horizon 2020213 research and innovation program under Grant Agreement No. 964398 (SUPERGATE). Approved Most recent IF: 10.8; 2023 IF: 12.712
Call Number EMAT @ emat @c:irua:196970 Serial 8789
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Author Kavak, S.; Kadu, A.A.; Claes, N.; Sánchez-Iglesias, A.; Liz-Marzán, L.M.; Batenburg, K.J.; Bals, S.
Title Quantitative 3D Investigation of Nanoparticle Assemblies by Volumetric Segmentation of Electron Tomography Data Sets Type A1 Journal article
Year 2023 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal
Volume 127 Issue 20 Pages 9725-9734
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Morphological characterization of nanoparticle assemblies and hybrid nanomaterials is critical in determining their structure-property relationships as well as in the development of structures with desired properties. Electron tomography has become a widely utilized technique for the three-dimensional characterization of nanoparticle assemblies. However, the extraction of quantitative morphological parameters from the reconstructed volume can be a complex and labor-intensive task. In this study, we aim to overcome this challenge by automating the volumetric segmentation process applied to three-dimensional reconstructions of nanoparticle assemblies. The key to enabling automated characterization is to assess the performance of different volumetric segmentation methods in accurately extracting predefined quantitative descriptors for morphological characterization. In our methodology, we compare the quantitative descriptors obtained through manual segmentation with those obtained through automated segmentation methods, to evaluate their accuracy and effectiveness. To show generality, our study focuses on the characterization of assemblies of CdSe/CdS quantum dots, gold nanospheres and CdSe/CdS encapsulated in polymeric micelles, and silica-coated gold nanorods decorated with both CdSe/CdS or PbS quantum dots. We use two unsupervised segmentation algorithms: the watershed transform and the spherical Hough transform. Our results demonstrate that the choice of automated segmentation method is crucial for accurately extracting the predefined quantitative descriptors. Specifically, the spherical Hough transform exhibits superior performance in accurately extracting quantitative descriptors, such as particle size and interparticle distance, thereby allowing for an objective, efficient, and reliable volumetric segmentation of complex nanoparticle assemblies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000991752700001 Publication Date 2023-05-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1932-7447 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.7 Times cited (down) 2 Open Access OpenAccess
Notes Fonds Wetenschappelijk Onderzoek, 1181122N ; Horizon 2020 Framework Programme, 861950 ; H2020 European Research Council, 815128 ; Approved Most recent IF: 3.7; 2023 IF: 4.536
Call Number EMAT @ emat @c:irua:196971 Serial 8793
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Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V.
Title High Chern number in strained thin films of dilute magnetic topological insulators Type A1 Journal article
Year 2023 Publication Physical review B Abbreviated Journal
Volume 107 Issue 19 Pages 195119-6
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The quantum anomalous Hall effect was first observed experimentally by doping the Bi2Se3 materials family with chromium, where 5% doping induces an exchange field of around 0.1 eV. In ultrathin films, a topological phase transition from a normal insulator to a Chern insulator can be induced with an exchange field proportional to the hybridization gap. Subsequent transitions to states with higher Chern numbers require an exchange field larger than the (bulk) band gap, but are prohibited in practice by the detrimental effects of higher doping levels. Here, we show that threshold doping for these phase transitions in thin films is controllable by strain. As a consequence, higher Chern states can be reached with experimentally feasible doping, sufficiently dilute for the topological insulator to remain structurally stable. Such a facilitated realization of higher Chern insulators opens prospects for multichannel quantum computing, higher-capacity circuit interconnects, and energy-efficient electronic devices at elevated temperatures.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000995111000003 Publication Date 2023-05-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.7 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 3.7; 2023 IF: 3.836
Call Number UA @ admin @ c:irua:197295 Serial 8820
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Author Li, L.L.; Gillen, R.; Palummo, M.; Milošević, M.V.; Peeters, F.M.
Title Strain tunable interlayer and intralayer excitons in vertically stacked MoSe₂/WSe₂ heterobilayers Type A1 Journal article
Year 2023 Publication Applied physics letters Abbreviated Journal
Volume 123 Issue 3 Pages 033102-33106
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Recently, interlayer and intralayer excitons in transition metal dichalcogenide heterobilayers have been studied both experimentally and theoretically. In spite of a growing interest, these layer-resolved excitons in the presence of external stimuli, such as strain, remain not fully understood. Here, using density-functional theory calculations with many-body effects, we explore the excitonic properties of vertically stacked MoSe2/WSe2 heterobilayer in the presence of in-plane biaxial strain of up to 5%. We calculate the strain dependence of exciton absorption spectrum, oscillator strength, wave function, and binding energy by solving the Bethe-Salpeter equation on top of the standard GW approach. We identify the interlayer and intralayer excitons by analyzing their electron-hole weights and spatial wave functions. We show that with the increase in strain magnitude, the absorption spectrum of the interlayer and intralayer excitons is red-shifted and re-ordered, and the binding energies of these layer-resolved excitons decrease monotonically and almost linearly. We derive the sensitivity of exciton binding energy to the applied strain and find that the intralayer excitons are more sensitive to strain than the interlayer excitons. For instance, a sensitivity of -7.9 meV/% is derived for the intra-MoSe2-layer excitons, which is followed by -7.4 meV/% for the intra-WSe2-layer excitons, and by -4.2 meV/% for the interlayer excitons. Our results indicate that interlayer and intralayer excitons in vertically stacked MoSe2/WSe2 heterobilayer are efficiently tunable by in-plane biaxial strain.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001033604700003 Publication Date 2023-07-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0003-6951; 1077-3118 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 4; 2023 IF: 3.411
Call Number UA @ admin @ c:irua:198382 Serial 8823
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Author Vega-Paredes, M.; Aymerich-Armengol, R.; Arenas Esteban, D.; Marti-Sanchez, S.; Bals, S.; Scheu, C.; Manjon, A.G.
Title Electrochemical stability of rhodium-platinum core-shell nanoparticles : an identical location scanning transmission electron microscopy study Type A1 Journal article
Year 2023 Publication ACS nano Abbreviated Journal
Volume 17 Issue 17 Pages 16943-16951
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Rhodium-platinum core-shell nanoparticleson a carbonsupport (Rh@Pt/C NPs) are promising candidates as anode catalystsfor polymer electrolyte membrane fuel cells. However, their electrochemicalstability needs to be further explored for successful applicationin commercial fuel cells. Here we employ identical location scanningtransmission electron microscopy to track the morphological and compositionalchanges of Rh@Pt/C NPs during potential cycling (10 000 cycles,0.06-0.8 V-RHE, 0.5 H2SO4)down to the atomic level, which are then used for understanding thecurrent evolution occurring during the potential cycles. Our resultsreveal a high stability of the Rh@Pt/C system and point toward particledetachment from the carbon support as the main degradation mechanism.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001051495900001 Publication Date 2023-08-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 17.1 Times cited (down) 2 Open Access OpenAccess
Notes The authors would like to thank C. Bodirsky for providing the samples, N. Rivas Rivas for his corrections on the manuscript, and D. Chatain for providing her expertise on the equilibrium shape of nanoparticles. Special thanks to B. Breitbach for performing the XRD experiments. A.G.M. acknowledges the Grant RYC2021-033479- I funded by MCIN/AEI/10.13039/501100011033 and, as appropriate, by European Union NextGenerationEU/PRTR. Approved Most recent IF: 17.1; 2023 IF: 13.942
Call Number UA @ admin @ c:irua:199253 Serial 8859
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Author Filez, M.; Feng, J.-Y.; Minjauw, M.M.; Solano, E.; Poonkottil, N.; Van Daele, M.; Ramachandran, R.K.; Li, C.; Bals, S.; Poelman, H.; Detavernier, C.; Dendooven, J.; Filez, M.; Minjauw, M.; Solano, E.; Poonkottil, N.; Li, C.; Bals, S.; Dendooven, J.
Title Shuffling atomic layer deposition gas sequences to modulate bimetallic thin films and nanoparticle properties Type A1 Journal article
Year 2022 Publication Chemistry of materials Abbreviated Journal
Volume Issue Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Atomic layer deposition (ALD) typically employs metal precursors and co-reactant pulses to deposit thin films in a layer-by-layer fashion. While conventional ABAB-type ALD sequences implement only two functionalities, namely, a metal source and ligand exchange agent, additional functionalities have emerged, including etching and reduction agents. Herein, we construct gas-phase sequences-coined as ALD+-with complex-ities reaching beyond the classic ABAB-type ALD by freely combining multiple functionalities within irregular pulse schemes, e.g., ABCADC. The possibilities of such combinations are explored as a smart strategy to tailor bimetallic thin films and nanoparticle (NP) properties. By doing so, we demonstrate that bimetallic thin films can be tailored with target thickness and through the full compositional range, while the morphology can be flexibly modulated from thin films to NPs by shuI 1ing the pulse sequence. These complex pulse schemes are expected to be broadly applicable but are here explored for Pd-Ru bimetallic thin films and NPs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000823205700001 Publication Date 2022-06-29
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited (down) 2 Open Access OpenAccess
Notes This research was funded by the Research Foundation, Flanders (FWO) , and the Special Research Fund BOF of Ghent University (GOA 01G01019) . M.F. and M.M.M. acknowledge the FWO for a postdoctoral research fellowship (1280621N) . N.P. acknowledges the European Union's Horizon 2020 research and innovation program under the Marie Skiodowska-Curie grant agreement no. 765378. For the GISAXS measurements, the author s received funding from the European Community's Transnational Access Program CALIPSOplus. E.S. acknowledges the Spanish project RTI2018-093996-B-C32 MICINN/FEDER funds. Air Liquide is acknowledged for supporting this research. The authors acknowledge SOLEIL for the provision of synchrotron radiation facilities and would like to thank Dr. Alessandro Coati for assistance in using beamline SiXS. The GIWAXS experiments were performed at NCD-SWEET beamline at ALBA Synchrotron with the collaboration of ALBA staff . Approved no
Call Number UA @ admin @ c:irua:189541 Serial 8928
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Author Hassani, N.; Yagmurcukardes, M.; Peeters, F.M.; Neek-Amal, M.
Title Chlorinated phosphorene for energy application Type A1 Journal article
Year 2024 Publication Computational materials science Abbreviated Journal
Volume 231 Issue Pages 112625-112628
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The influence of decoration with impurities and the composition dependent band gap in 2D materials has been the subject of debate for a long time. Here, by using Density Functional Theory (DFT) calculations, we systematically disclose physical properties of chlorinated phosphorene having the stoichiometry of PmCln. By analyzing the adsorption energy, charge density, migration energy barrier, structural, vibrational, and electronic properties of chlorinated phosphorene, we found that (I) the Cl-P bonds are strong with binding energy Eb =-1.61 eV, decreases with increasing n. (II) Cl atoms on phosphorene have anionic feature, (III) the migration path of Cl on phosphorene is anisotropic with an energy barrier of 0.38 eV, (IV) the phonon band dispersion reveal that chlorinated phosphorenes are stable when r <= 0.25 where r = m/n, (V) chlorinated phosphorenes is found to be a photonic crystal in the frequency range of 280 cm-1 to 325 cm-1, (VI) electronic band structure of chlorinated phosphorenes exhibits quasi-flat bands emerging around the Fermi level with widths in the range of 22 meV to 580 meV, and (VII) Cl adsorption causes a semiconducting to metallic/semi-metallic transition which makes it suitable for application as an electroactive material. To elucidate this application, we investigated the change in binding energy (Eb), specific capacity, and open-circuit voltage as a function of the density of adsorbed Cl. The theoretical storage capacity of the chlorinated phosphorene is found to be 168.19 mA h g-1with a large average voltage (similar to 2.08 V) which is ideal number as a cathode in chloride-ion batteries.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001110003400001 Publication Date 2023-11-04
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0927-0256 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.3 Times cited (down) 2 Open Access Not_Open_Access
Notes Approved Most recent IF: 3.3; 2024 IF: 2.292
Call Number UA @ admin @ c:irua:202125 Serial 9008
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Author Manzaneda-Gonzalez, V.; Jenkinson, K.; Pena-Rodriguez, O.; Borrell-Grueiro, O.; Trivino-Sanchez, S.; Banares, L.; Junquera, E.; Espinosa, A.; Gonzalez-Rubio, G.; Bals, S.; Guerrero-Martinez, A.
Title From multi- to single-hollow trimetallic nanocrystals by ultrafast heating Type A1 Journal article
Year 2023 Publication Chemistry of materials Abbreviated Journal
Volume 35 Issue 22 Pages 9603-9612
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Metal nanocrystals (NCs) display unique physicochemical features that are highly dependent on nanoparticle dimensions, anisotropy, structure, and composition. The development of synthesis methodologies that allow us to tune such parameters finely emerges as crucial for the application of metal NCs in catalysis, optical materials, or biomedicine. Here, we describe a synthetic methodology to fabricate hollow multimetallic heterostructures using a combination of seed-mediated growth routes and femtosecond-pulsed laser irradiation. The envisaged methodology relies on the coreduction of Ag and Pd ions on gold nanorods (Au NRs) to form Au@PdAg core-shell nanostructures containing small cavities at the Au-PdAg interface. The excitation of Au@PdAg NRs with low fluence femtosecond pulses was employed to induce the coalescence and growth of large cavities, forming multihollow anisotropic Au@PdAg nanostructures. Moreover, single-hollow alloy AuPdAg could be achieved in high yield by increasing the irradiation energy. Advanced electron microscopy techniques, energy-dispersive X-ray spectroscopy (EDX) tomography, X-ray absorption near-edge structure (XANES) spectroscopy, and finite differences in the time domain (FDTD) simulations allowed us to characterize the morphology, structure, and elemental distribution of the irradiated NCs in detail. The ability of the reported synthesis route to fabricate multimetallic NCs with unprecedented hollow nanostructures offers attractive prospects for the fabrication of tailored high-entropy alloy nanoparticles.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001110623500001 Publication Date 2023-11-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0897-4756; 1520-5002 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 8.6 Times cited (down) 2 Open Access OpenAccess
Notes Approved Most recent IF: 8.6; 2023 IF: 9.466
Call Number UA @ admin @ c:irua:202144 Serial 9040
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Author Johnson, G.; Yang, M.Y.; Liu, C.; Zhou, H.; Zuo, X.; Dickie, D.A.; Wang, S.; Gao, W.; Anaclet, B.; Perras, F.A.; Ma, F.; Zeng, C.; Wang, D.; Bals, S.; Dai, S.; Xu, Z.; Liu, G.; Goddard III, W.A.; Zhang, S.
Title Nanocluster superstructures assembled via surface ligand switching at high temperature Type A1 Journal article
Year 2023 Publication Nature synthesis Abbreviated Journal
Volume 2 Issue 9 Pages 828-837
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Superstructures with nanoscale building blocks, when coupled with precise control of the constituent units, open opportunities in rationally designing and manufacturing desired functional materials. Yet, synthetic strategies for the large-scale production of superstructures are scarce. We report a scalable and generalized approach to synthesizing superstructures assembled from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters alongside a detailed description of the self-assembly mechanism. Combining operando small-angle X-ray scattering, ex situ molecular and structural characterizations, and molecular dynamics simulations indicates that a high-temperature ligand-switching mechanism, from oleate to benzoate, governs the formation of the nanocluster assembly. The chemical tuning of surface ligands controls superstructure disassembly and reassembly, and furthermore, enables the synthesis of multicomponent superstructures. This synthetic approach, and the accurate mechanistic understanding, are promising for the preparation of superstructures for use in electronics, plasmonics, magnetics and catalysis. Synthesizing superstructures with precisely controlled nanoscale building blocks is challenging. Here the assembly of superstructures is reported from atomically precise Ce24O28(OH)8 and other rare-earth metal-oxide nanoclusters and their multicomponent combinations. A high-temperature ligand-switching mechanism controls the self-assembly.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001124824000001 Publication Date 2023-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) 2 Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:202180 Serial 9060
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Author Cao, S.; Nishida, M.; Somsen, C.; Eggeler, G.; Schryvers, D.
Title 3D FIB/SEM study of Ni4Ti3 precipitates in Ni-Ti alloys with different thermal-mechanical histories Type P1 Proceeding
Year 2009 Publication Abbreviated Journal
Volume Issue Pages 02004,1-02004,6
Keywords P1 Proceeding; Electron microscopy for materials research (EMAT)
Abstract The three-dimensional size, morphology and distribution of Ni4Ti3 precipitates growing in binary Ni-rich Ni-Ti alloys have been investigated via a slice view procedure in a Dual-Beam FIB/SEM system, in order to better stress-free Ni50.8Ti49.2 alloy with all four variants of precipitates and a compressed Ni51Ti49 alloy with aligned precipitates in one family were studied. The Ni4Ti3 precipitates reach a volume fraction of 9.6% in the reconstructed region of the stress-free alloy and 4.3% in the compressed one. In both cases, the mean volume, specific surface area, sphericity and aspect ratio of the precipitates are calculated and the Pair Distribution Functions of the precipitates are obtained. It is shown that most precipitates in the stress-free sample grow larger and have a more lenticular shape, while those in the compressed sample are more cylindrical. Deviations from these ideal shapes reveal internal steps in the stress-free sample and lamellae formation in the compressed one.
Address
Corporate Author Thesis
Publisher Edp Place of Publication Coutaboeuf Editor
Language Wos 000274582300008 Publication Date 2009-08-31
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) 1 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:81950 c:irua:81950 Serial 14
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Author Tyablikov, O.A.; Batuk, D.; Tsirlin, A.A.; Batuk, M.; Verchenko, V.Y.; Filimonov, D.S.; Pokholok, K.V.; Sheptyakov, D.V.; Rozova, M.G.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.;
Title {110}-Layered B-cation ordering in the anion-deficient perovskite Pb2.4Ba2.6Fe2Sc2TiO13 with the crystallographic shear structure Type A1 Journal article
Year 2015 Publication Journal of the Chemical Society : Dalton transactions Abbreviated Journal Dalton T
Volume 44 Issue 44 Pages 10753-10762
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A novel anion-deficient perovskite-based compound, Pb2.4Ba2.6Fe2Sc2TiO13, was synthesized via the citrate-based route. This compound is an n = 5 member of the A(n)B(n)O(3n-2) homologous series with unit-cell parameters related to the perovskite subcell a(p) approximate to 4.0 angstrom as a(p)root 2 x a(p) x 5a(p)root 2. The crystal structure of Pb2.4Ba2.6Fe2Sc2TiO13 consists of quasi-2D perovskite blocks with a thickness of three octahedral layers separated by the 1/2[110]((1) over bar 01)(p) crystallographic shear (CS) planes, which are parallel to the {110} plane of the perovskite subcell. The CS planes transform the corner-sharing octahedra into chains of edge-sharing distorted tetragonal pyramids. Using a combination of neutron powder diffraction, Fe-57 Mossbauer spectroscopy and atomic resolution electron energy-loss spectroscopy we demonstrate that the B-cations in Pb2.4Ba2.6Fe2Sc2TiO13 are ordered along the {110} perovskite layers with Fe3+ in distorted tetragonal pyramids along the CS planes, Ti4+ preferentially in the central octahedra of the perovskite blocks and Sc3+ in the outer octahedra of the perovskite blocks. Magnetic susceptibility and Mossbauer spectroscopy indicate a broadened magnetic transition around T-N similar to 45 K and the onset of local magnetic fields at low temperatures. The magnetic order is probably reminiscent of that in other A(n)B(n)O(3n-2) homologues, where G-type AFM order within the perovskite blocks has been observed.
Address
Corporate Author Thesis
Publisher Place of Publication London Editor
Language Wos 000355701000026 Publication Date 2015-01-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1477-9226;1477-9234; ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.029 Times cited (down) 1 Open Access
Notes Approved Most recent IF: 4.029; 2015 IF: 4.197
Call Number c:irua:127001 Serial 22
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Author van Cleempoel, A.; Gijbels, R.; van den Heuvel, H.; Claeys, M.
Title Analysis of C60 and C70 oxides by HPLC and low- and high-energy collision-induced dissocation tandem mass spectrometry Type P1 Proceeding
Year 1997 Publication Proceedings Symposium on Recent Advances in the Chemistry and Physics of Fullerenes and Related Materials, 191th Meeting of the Electrochemical Society, Montreal, Canada, 4-9 May 1997 Abbreviated Journal
Volume 4 Issue Pages 783-800
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1997BJ44R00081 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) 1 Open Access
Notes Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:19150 Serial 99
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