“Resistance maps for a submicron Hall electrosensor in the diffusive regime”. Papp G, Peeters FM, Journal of applied physics 101, 113717 (2007). http://doi.org/10.1063/1.2745345
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 7
DOI: 10.1063/1.2745345
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“Effect of PbZr0.52Ti0.48O3 thin layer on structure, electronic and magnetic properties of La0.65Sr0.35MnO3 and La0.65Ca0.30MnO3 thin-films”. Hezareh T, Razavi FS, Kremer RK, Habermeier H-U, Lebedev OI, Kirilenko D, Van Tendeloo G, Journal of applied physics 109, 113707 (2011). http://doi.org/10.1063/1.3592660
Abstract: Epitaxial thin film heterostructures of high dielectric PbZr<sub>1-x</sub>Ti<sub>x</sub>O<sub>3</sub> (PZT) and La<sub>1-x</sub>A<sub>x</sub>MnO<sub>3</sub> (A-divalent alkaline earth metals such as Sr (LSMO) and Ca (LCMO)) were grown on SrTiO<sub>3</sub> substrates and their structure, temperature dependence of electrical resistivity, and magnetization were investigated as a function of the thickness of the LSMO(LCMO) layer. The microstructures of the samples were analyzed by TEM. By applying an electric field across the PZT layer, we applied a ferrodistortive pressure on the manganite layer and studied the correlations between lattice distortion and electric transport and magnetic properties of the CMR materials.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.068
Times cited: 4
DOI: 10.1063/1.3592660
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“Bilayer graphene Hall bar with a pn-junction”. Milovanovic SP, Masir MR, Peeters FM, Journal of applied physics 114, 113706 (2013). http://doi.org/10.1063/1.4821264
Abstract: We investigate the magnetic field dependence of the Hall and the bend resistances for a ballistic Hall bar structure containing a pn-junction sculptured from a bilayer of graphene. The electric response is obtained using the billiard model, and we investigate the cases of bilayer graphene with and without a band gap. Two different conduction regimes are possible: (i) both sides of the junction have the same carrier type and (ii) one side of the junction is n-type while the other one is p-type. The first case shows Hall plateau-like features in the Hall resistance that fade away as the band gap opens. The second case exhibits a bend resistance that is asymmetric in magnetic field as a consequence of snake states along the pn-interface, where the maximum is shifted away from zero magnetic field.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 3
DOI: 10.1063/1.4821264
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“A decade of atom-counting in STEM: From the first results toward reliable 3D atomic models from a single projection”. De Backer A, Bals S, Van Aert S, Ultramicroscopy , 113702 (2023). http://doi.org/10.1016/j.ultramic.2023.113702
Abstract: Quantitative structure determination is needed in order to study and understand nanomaterials at the atomic scale. Materials characterisation resulting in precise structural information is a crucial point to understand the structure–property relation of materials. Counting the number of atoms and retrieving the 3D atomic structure of nanoparticles plays an important role here. In this paper, an overview will be given of the atom-counting methodology and its applications over the past decade. The procedure to count the number of atoms will be discussed in detail and it will be shown how the performance of the method can be further improved. Furthermore, advances toward mixed element nanostructures, 3D atomic modelling based on the atom-counting results, and quantifying the nanoparticle dynamics will be highlighted.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.2
Times cited: 3
DOI: 10.1016/j.ultramic.2023.113702
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“Fast generation of calculated ADF-EDX scattering cross-sections under channelling conditions”. Zhang Z, Lobato I, De Backer A, Van Aert S, Nellist P, Ultramicroscopy 246, 113671 (2023). http://doi.org/10.1016/j.ultramic.2022.113671
Abstract: Advanced materials often consist of multiple elements which are arranged in a complicated structure. Quantitative scanning transmission electron microscopy is useful to determine the composition and thickness of nanostructures at the atomic scale. However, significant difficulties remain to quantify mixed columns by comparing the resulting atomic resolution images and spectroscopy data with multislice simulations where dynamic scattering needs to be taken into account. The combination of the computationally intensive nature of these simulations and the enormous amount of possible mixed column configurations for a given composition indeed severely hamper the quantification process. To overcome these challenges, we here report the development of an incoherent non-linear method for the fast prediction of ADF-EDX scattering cross-sections of mixed columns under channelling conditions. We first explain the origin of the ADF and EDX incoherence from scattering physics suggesting a linear dependence between those two signals in the case of a high-angle ADF detector. Taking EDX as a perfect incoherent reference mode, we quantitatively examine the ADF longitudinal incoherence under different microscope conditions using multislice simulations. Based on incoherent imaging, the atomic lensing model previously developed for ADF is now expanded to EDX, which yields ADF-EDX scattering cross-section predictions in good agreement with multislice simulations for mixed columns in a core–shell nanoparticle and a high entropy alloy. The fast and accurate prediction of ADF-EDX scattering cross-sections opens up new opportunities to explore the wide range of ordering possibilities of heterogeneous materials with multiple elements.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.2
DOI: 10.1016/j.ultramic.2022.113671
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“Singlet oxygen-based photoelectrochemical detection of DNA”. Thiruvottriyur Shanmugam S, Trashin S, De Wael K, Biosensors and bioelectronics 195, 113652 (2022). http://doi.org/10.1016/J.BIOS.2021.113652
Abstract: The current work, designed for the photoelectrochemical detection of DNA, evaluates light-responsive DNA probes carrying molecular photosensitizers generating singlet oxygen (1O2). We take advantage of their chromophore’s ability to produce 1O2 upon photoexcitation and subsequent photocurrent response. Type I, fluorescent and type II photosensitizers were studied using diode lasers at 406 nm blue, 532 nm green and 659 nm red lasers in the presensce and absence of a redox reporter, hydroquinone (HQ). Only type II photosensitizers (producing 1O2) resulted in a noticeable photocurrent in 1–4 nA range upon illumination, in particular, dissolved DNA probes labeled with chlorin e6 and erythrosine were found to give a well-detectable photocurrent response in the presence of HQ. Whereas, Type I photosensitizers and fluorescent chromophores generate negligible photocurrents (<0.15 nA). The analytical performance of the sensing system was evaluated using a magnetic beads-based DNA assay on disposable electrode platforms, with a focus to enhance the sensitivity and robustness of the technique in detecting complementary DNA targets. Amplified photocurrent responses in the range of 70–100 nA were obtained and detection limits of 17 pM and 10 pM were achieved using magnetic beads-captured chlorin e6 and erythrosine labeled DNA probes respectively. The presented novel photoelectrochemical detection can further be optimized and employed in applications for which enzymatic amplification such as polymerase chain reaction (PCR) is not applicable owing to their limitations and as an effective alternative to colorimetric detection when rapid detection of specific nucleic acid targets is required.
Keywords: A1 Journal article; Engineering sciences. Technology; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
DOI: 10.1016/J.BIOS.2021.113652
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“Optimal experiment design for element specific atom counting using multiple annular dark field scanning transmission electron microscopy detectors”. Sentürk DG, De Backer A, Friedrich T, Van Aert S, Ultramicroscopy 242, 113626 (2022). http://doi.org/10.1016/j.ultramic.2022.113626
Abstract: This paper investigates the possible benefits for counting atoms of different chemical nature when analysing multiple 2D scanning transmission electron microscopy (STEM) images resulting from independent annular dark field (ADF) detector regimes. To reach this goal, the principles of statistical detection theory are used to quantify the probability of error when determining the number of atoms in atomic columns consisting of multiple types of elements. In order to apply this theory, atom-counting is formulated as a statistical hypothesis test, where each hypothesis corresponds to a specific number of atoms of each atom type in an atomic column. The probability of error, which is limited by the unavoidable presence of electron counting noise, can then be computed from scattering-cross sections extracted from multiple ADF STEM images. Minimisation of the probability of error as a function of the inner and outer angles of a specified number of independent ADF collection regimes results in optimal experimental designs. Based on simulations of spherical Au@Ag and Au@Pt core–shell nanoparticles, we investigate how the combination of two non-overlapping detector regimes helps to improve the probability of error when unscrambling two types of atoms. In particular, the combination of a narrow low angle ADF detector with a detector formed by the remaining annular collection regime is found to be optimal. The benefit is more significant if the atomic number Z difference becomes larger. In
addition, we show the benefit of subdividing the detector regime into three collection areas for heterogeneous nanostructures based on a structure consisting of three types of elements, e.g., a mixture of Au, Ag and Al atoms. Finally, these results are compared with the probability of error resulting when one would ultimately use a pixelated 4D STEM detector and how this could help to further reduce the incident electron dose.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.2
DOI: 10.1016/j.ultramic.2022.113626
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“Wave packet propagation through branched quantum rings under applied magnetic fields”. de Sousa AA, Chaves A, Pereira TAS, de Farias GA, Peeters FM, Physica. E: Low-dimensional systems and nanostructures 114, 113598 (2019). http://doi.org/10.1016/J.PHYSE.2019.113598
Abstract: We investigate the effect of opening and closing pathways on the dynamics of electron wave packets in semiconductor quantum rings with different geometries. Our analysis is based on the time evolution of an electron wave packet, within the effective-mass approximation. We demonstrate that opening an extra channel in the quantum ring does not necessarily improve the electron transmission and, depending on the extra channel width, may even reduce it, either due to enhancement of quantum scattering or due to interference. In the latter case, transmission reduction can be controlled through the Aharonov-Bohm phase of the wave function, via an applied magnetic field. It is also shown that, closing one of the channels of the quantum ring, system improves the transmission probability under specific conditions, an effect which is a quantum analog of the Braess paradox.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 2.221
DOI: 10.1016/J.PHYSE.2019.113598
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“Reducing electron beam damage through alternative STEM scanning strategies, Part II: Attempt towards an empirical model describing the damage process”. Jannis D, Velazco A, Béché, A, Verbeeck J, Ultramicroscopy , 113568 (2022). http://doi.org/10.1016/j.ultramic.2022.113568
Abstract: In this second part of a series we attempt to construct an empirical model that can mimick all experimental observations made regarding the role of an alternative interleaved scan pattern in STEM imaging on the beam damage in a specific zeolite sample. We make use of a 2D diffusion model that describes the dissipation of the deposited beam energy in the sequence of probe positions that are visited during the scan pattern. The diffusion process allows for the concept of trying to ‘outrun’ the beam damage by carefully tuning the dwell time and distance between consecutively visited probe positions. We add a non linear function to include a threshold effect and evaluate the accumulated damage in each part of the image as a function of scan pattern details. Together, these ingredients are able to describe qualitatively all aspects of the experimental data and provide us with a model that could guide a further optimisation towards even lower beam damage without lowering the applied electron dose. We deliberately remain vague on what is diffusing here which avoids introducing too many sample specific details. This provides hope that the model can be applied also in sample classes that were not yet studied in such great detail by adjusting higher level parameters: a sample dependent diffusion constant and damage threshold.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 2.2
Times cited: 4
DOI: 10.1016/j.ultramic.2022.113568
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“Insights into Ni-filament formation in unipolar-switching Ni/HfO2/TiN resistive random access memory device”. Chen YY, Pourtois G, Adelmann C, Goux L, Govoreanu B, Degreave R, Jurczak M, Kittl JA, Groeseneken G, Wouters DJ, Applied physics letters 100, 113513 (2012). http://doi.org/10.1063/1.3695078
Abstract: In this letter, CMOS-compatible Ni/HfO2/TiN resistive random access memory stacks demonstrated attractive unipolar switching properties, showing >10(3) endurance and long retention at 150 degrees C. The Ni bottom electrode (BE) improved the switching yield over the NiSiPt BE. To better understand the unipolar forming mechanism, ab initio simulation and time of flight-secondary ion mass spectroscopy were utilized. Compared to the NiSiPt BE, Ni BE gives larger Ni diffusion in the HfO2 and lower formation enthalpy of Ni2+ species during electrical forming. Both the electrical and physical results supported a Ni-injection mechanism for the filament formation. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3695078]
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 29
DOI: 10.1063/1.3695078
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“Comparison of electrostatic and electromagnetic simulations for very high frequency plasmas”. Zhang Y-R, Xu X, Zhao S-X, Bogaerts A, Wang Y-N, Physics of plasmas 17, 113512 (2010). http://doi.org/10.1063/1.3519515
Abstract: A two-dimensional self-consistent fluid model combined with the full set of Maxwell equations is developed to investigate an argon capacitively coupled plasma, focusing on the electromagnetic effects on the discharge characteristics at various discharge conditions. The results indicate that there exist distinct differences in plasma characteristics calculated with the so-called electrostatic model (i.e., without taking into account the electromagnetic effects) and the electromagnetic model (which includes the electromagnetic effects), especially at very high frequencies. Indeed, when the excitation source is in the high frequency regime and the electromagnetic effects are taken into account, the plasma density increases significantly and meanwhile the ionization rate evolves to a very different distribution when the electromagnetic effects are dominant. Furthermore, the dependence of the plasma characteristics on the voltage and pressure is also investigated, at constant frequency. It is observed that when the voltage is low, the difference between these two models becomes more obvious than at higher voltages. As the pressure increases, the plasma density profiles obtained from the electromagnetic model smoothly shift from edge-peaked over uniform to a broad maximum in the center. In addition, the edge effect becomes less pronounced with increasing frequency and pressure, and the skin effect rather than the standing-wave effect becomes dominant when the voltage is high.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.115
Times cited: 30
DOI: 10.1063/1.3519515
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“Fluid simulation of the superimposed dual-frequency source effect in inductively coupled discharges”. Xiaoyan S, Zhang Y-R, Wang Y-N, He J-X, Physics Of Plasmas 28, 113504 (2021). http://doi.org/10.1063/5.0065438
Abstract: Superimposition of dual frequencies (DFs) is one of the methods used for controlling plasma distribution in an inductively coupled plasma (ICP) source. The effects of a superimposed DF on the argon plasma characteristics have been investigated using a two-dimensional self-consistent fluid model. When both currents are fixed at 6A, the plasma density drops with decrease in one of the source frequencies due to less efficient heating and the plasma uniformity improves significantly. Moreover, for ICP operated with superimposed DFs (i.e., 4.52MHz/13.56MHz and 2.26MHz/13.56MHz), the current source exhibits the same period as the low frequency (LF) component, and the plasma density is higher than that obtained at a single frequency (i.e., 4.52 and 2.26MHz) with the same total current of 12A. However, at superimposed current frequencies of 6.78MHz/13.56MHz, the plasma density is lower than that obtained at a single frequency of 6.78MHz due to the weaker negative azimuthal electric field between two positive maxima during one period of 6.78MHz. When the superimposed DF ICP operates at 2.26 and 13.56MHz, the rapid oscillations of the induced electric field become weaker during one period of 2.26MHz as the current ratio of 2.26MHz/13.56MHz rises from 24A/7 A to 30A/1 A, and the plasma density drops with the current ratio due to weakened electron heating. The uniformity of plasma increases due to sufficient diffusion under the low-density condition.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.115
DOI: 10.1063/5.0065438
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“Perturbation of collisional plasma flow around a charged dust particle: kinetic analysis”. Schweigert IV, Schweigert VA, Peeters FM, Physics of plasmas 12, 113501 (2005). http://doi.org/10.1063/1.2076527
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.115
Times cited: 15
DOI: 10.1063/1.2076527
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“Towards harmonization of water quality management : a comparison of chemical drinking water and surface water quality standards around the globe”. Van Winckel T, Cools J, Vlaeminck SE, Joos P, Van Meenen E, Borregán-Ochando E, Van Den Steen K, Geerts R, Vandermoere F, Blust R, Journal Of Environmental Management 298, 113447 (2021). http://doi.org/10.1016/J.JENVMAN.2021.113447
Abstract: Water quality standards (WQS) set the legal definition for safe and desirable water. WQS impose regulatory concentration limits to act as a jurisdiction-specific legislative risk-management tool. Despite its importance in shaping a universal definition of safe, clean water, little information exists with respect to (dis)similarity of chemical WQS worldwide. Therefore, this paper compares chemical WQS for drinking and surface water matrices in eight jurisdictions representing a global geographic distribution: Australia, Brazil, Canada, China, the European Union, the region of Flanders in Belgium, the United States of America, and South Africa. The World Health Organization's list is used as a reference for drinking water standards. Sørensen–Dice indices (SDI) showed little qualitative similarity in the compounds that are regulated in drinking water (median SDI = 40%) and surface water (median SDI = 33%), indicating that the heterogeneity within a matrix is substantial at the level of the standard. Quantitative similarity for matching standards was higher than the qualitative per Kendall correlation (median = 0.73 and 0.58 for drinking water and surface water respectively), yet variance observed within standards remained inexplicably high for organic compounds. Variations in WQS were more pronounced for organic compounds. Most differences cannot be easily explained from a toxicological or risk-based point-of-view. Historical development, ease of measurement, and (toxicological) knowledge gaps on the risk of a vast number of organic compounds are theorized to be the drivers. Therefore, this study argues for a more tailored, risk-based approach in which standards incorporated into water safety plans are dynamically set for compounds that are persistent and could pose a risk for human health and/or aquatic ecosystems. Global variations in WQS should therefore not necessarily be avoided but rather globally harmonized with enough flexibility to ensure a global, up-to-date definition of safe and desirable water everywhere.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change
Impact Factor: 4.01
DOI: 10.1016/J.JENVMAN.2021.113447
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“Dynamical diffraction of high-energy electrons investigated by focal series momentum-resolved scanning transmission electron microscopy at atomic resolution”. Robert Hl, Lobato I, Lyu Fj, Chen Q, Van Aert S, Van Dyck D, Müller-Caspary K, Ultramicroscopy 233, 113425 (2022). http://doi.org/10.1016/j.ultramic.2021.113425
Abstract: We report a study of scattering dynamics in crystals employing momentum-resolved scanning transmission
electron microscopy under varying illumination conditions. As we perform successive changes of the probe
focus, multiple real-space signals are obtained in dependence of the shape of the incident electron wave.
With support from extensive simulations, each signal is shown to be characterised by an optimum focus for
which the contrast is maximum and which differs among different signals. For instance, a systematic focus
mismatch is found between images formed by high-angle scattering, being sensitive to thickness and chemical
composition, and the first moment in diffraction space, being sensitive to electric fields. It follows that a single
recording at one specific probe focus is usually insufficient to characterise materials comprehensively. Most
importantly, we demonstrate in experiment and simulation that the second moment (
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
Impact Factor: 2.2
DOI: 10.1016/j.ultramic.2021.113425
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“Event driven 4D STEM acquisition with a Timepix3 detector: Microsecond dwell time and faster scans for high precision and low dose applications”. Jannis D, Hofer C, Gao C, Xie X, Béché, A, Pennycook Tj, Verbeeck J, Ultramicroscopy 233, 113423 (2022). http://doi.org/10.1016/j.ultramic.2021.113423
Abstract: Four dimensional scanning transmission electron microscopy (4D STEM) records the scattering of electrons in a material in great detail. The benefits offered by 4D STEM are substantial, with the wealth of data it provides facilitating for instance high precision, high electron dose efficiency phase imaging via centre of mass or ptychography based analysis. However the requirement for a 2D image of the scattering to be recorded at each probe position has long placed a severe bottleneck on the speed at which 4D STEM can be performed. Recent advances in camera technology have greatly reduced this bottleneck, with the detection efficiency of direct electron detectors being especially well suited to the technique. However even the fastest frame driven pixelated detectors still significantly limit the scan speed which can be used in 4D STEM, making the resulting data susceptible to drift and hampering its use for low dose beam sensitive applications. Here we report the development of the use of an event driven Timepix3 direct electron camera that allows us to overcome this bottleneck and achieve 4D STEM dwell times down to 100 ns; orders of magnitude faster than what has been possible with frame based readout. We characterize the detector for different acceleration voltages and show that the method is especially well suited for low dose imaging and promises rich datasets without compromising dwell time when compared to conventional STEM imaging.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 2.2
Times cited: 31
DOI: 10.1016/j.ultramic.2021.113423
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“Electronic and dynamical properties of Si/Ge core-shell nanowires”. Peelaers H, Partoens B, Peeters FM, Physical review : B : condensed matter and materials physics 82, 113411 (2010). http://doi.org/10.1103/PhysRevB.82.113411
Abstract: Full ab initio techniques are applied to study the electronic and dynamical properties of free standing, hydrogen-passivated Si/Ge core-shell nanowires oriented along the [110] direction. All studied wires exhibit a direct band gap and are found to be structurally stable. The different contributions of the core and shell atoms to the phonon spectra are identified. The acoustic phonon velocities and the frequencies of some typical optical modes are compared with those of pure Si and Ge nanowires. These depend either on the concentration or on the type of core material. Optical modes are hardened and longitudinal acoustic velocities are softened with decreasing wire diameter.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 13
DOI: 10.1103/PhysRevB.82.113411
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“Reducing electron beam damage through alternative STEM scanning strategies, Part I: Experimental findings”. Velazco A, Béché, A, Jannis D, Verbeeck J, Ultramicroscopy 232, 113398 (2022). http://doi.org/10.1016/j.ultramic.2021.113398
Abstract: The highly energetic electrons in a transmission electron microscope (TEM) can alter or even completely destroy the structure of samples before sufficient information can be obtained. This is especially problematic in the case of zeolites, organic and biological materials. As this effect depends on both the electron beam and the sample and can involve multiple damage pathways, its study remained difficult and is plagued with irreproducibility issues, circumstantial evidence, rumors, and a general lack of solid data. Here we take on the experimental challenge to investigate the role of the STEM scan pattern on the damage behavior of a commercially available zeolite sample with the clear aim to make our observations as reproducible as possible. We make use of a freely programmable scan engine that gives full control over the tempospatial distribution of the electron probe on the sample and we use its flexibility to obtain multiple repeated experiments under identical conditions comparing the difference in beam damage between a conventional raster scan pattern and a newly proposed interleaved scan pattern that provides exactly the same dose and dose rate and visits exactly the same scan points. We observe a significant difference in beam damage for both patterns with up to 11 % reduction in damage (measured from mass loss). These observations demonstrate without doubt that electron dose, dose rate and acceleration voltage are not the only parameters affecting beam damage in (S)TEM experiments and invite the community to rethink beam damage as an unavoidable consequence of applied electron dose.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.2
Times cited: 18
DOI: 10.1016/j.ultramic.2021.113398
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“Modelling ADF STEM images using elliptical Gaussian peaks and its effects on the quantification of structure parameters in the presence of sample tilt”. De wael A, De Backer A, Lobato I, Van Aert S, Ultramicroscopy , 113391 (2021). http://doi.org/10.1016/j.ultramic.2021.113391
Abstract: A small sample tilt away from a main zone axis orientation results in an elongation of the atomic columns in ADF STEM images. An often posed research question is therefore whether the ADF STEM image intensities of tilted nanomaterials should be quantified using a parametric imaging model consisting of elliptical rather than the currently used symmetrical peaks. To this purpose, simulated ADF STEM images corresponding to different amounts of sample tilt are studied using a parametric imaging model that consists of superimposed 2D elliptical Gaussian peaks on the one hand and symmetrical Gaussian peaks on the other hand. We investigate the quantification of structural parameters such as atomic column positions and scattering cross sections using both parametric imaging models. In this manner, we quantitatively study what can be gained from this elliptical model for quantitative ADF STEM, despite the increased parameter space and computational effort. Although a qualitative improvement can be achieved, no significant quantitative improvement in the estimated structure parameters is achieved by the elliptical model as compared to the symmetrical model. The decrease in scattering cross sections with increasing sample tilt is even identical for both types of parametric imaging models. This impedes direct comparison with zone axis image simulations. Nonetheless, we demonstrate how reliable atom-counting can still be achieved in the presence of small sample tilt.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
DOI: 10.1016/j.ultramic.2021.113391
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“Rotating cylindrical magnetron sputtering: simulation of the reactive process”. Depla D, Li XY, Mahieu S, van Aeken K, Leroy WP, Haemers J, de Gryse R, Bogaerts A, Journal of applied physics 107, 113307 (2010). http://doi.org/10.1063/1.3415550
Abstract: A rotating cylindrical magnetron consists of a cylindrical tube, functioning as the cathode, which rotates around a stationary magnet assembly. In stationary mode, the cylindrical magnetron behaves similar to a planar magnetron with respect to the influence of reactive gas addition to the plasma. However, the transition from metallic mode to poisoned mode and vice versa depends on the rotation speed. An existing model has been modified to simulate the influence of target rotation on the well known hysteresis behavior during reactive magnetron sputtering. The model shows that the existing poisoning mechanisms, i.e., chemisorption, direct reactive ion implantation and knock on implantation, are insufficient to describe the poisoning behavior of the rotating target. A better description of the process is only possible by including the deposition of sputtered material on the target.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 15
DOI: 10.1063/1.3415550
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“Molecular dynamics simulations of Cl+ etching on a Si(100) surface”. Gou F, Neyts E, Eckert M, Tinck S, Bogaerts A, Journal of applied physics 107, 113305 (2010). http://doi.org/10.1063/1.3361038
Abstract: Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 15
DOI: 10.1063/1.3361038
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“Shape from projections via differentiable forward projector for computed tomography”. Koo J, Dahl AB, Bærentzen JA, Chen Q, Bals S, Dahl VA, Ultramicroscopy 224, 113239 (2021). http://doi.org/10.1016/j.ultramic.2021.113239
Abstract: In computed tomography, the reconstruction is typically obtained on a voxel grid. In this work, however, we propose a mesh-based reconstruction method. For tomographic problems, 3D meshes have mostly been studied to simulate data acquisition, but not for reconstruction, for which a 3D mesh means the inverse process of estimating shapes from projections. In this paper, we propose a differentiable forward model for 3D meshes that bridge the gap between the forward model for 3D surfaces and optimization. We view the forward projection as a rendering process, and make it differentiable by extending recent work in differentiable rendering. We use the proposed forward model to reconstruct 3D shapes directly from projections. Experimental results for single-object problems show that the proposed method outperforms traditional voxel-based methods on noisy simulated data. We also apply the proposed method on electron tomography images of nanoparticles to demonstrate the applicability of the method on real data.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 3
DOI: 10.1016/j.ultramic.2021.113239
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“A simple method to clean ligand contamination on TEM grids”. Li C, Tardajos AP, Wang D, Choukroun D, Van Daele K, Breugelmans T, Bals S, Ultramicroscopy 221, 113195 (2021). http://doi.org/10.1016/j.ultramic.2020.113195
Abstract: Colloidal nanoparticles (NPs) including nanowires and nanosheets made by chemical methods involve many organic ligands. When the structure of NPs is investigated via transmission electron microscopy (TEM), the organic ligands act as a source for e-beam induced deposition and this causes substantial build-up of carbon layers in the investigated areas, which is typically referred to as “contamination” in the eld of electron mi- croscopy. This contamination is often more severe for scanning TEM, a technique that is based on a focused electron beam and hence higher electron dose rate. In this paper, we report a simple and effective method to clean drop-cast TEM grids that contain NPs with ligands. Using a combination of activated carbon and ethanol, this method effectively reduces the amount of ligands on TEM grids, and therefore greatly improves the quality of electron microscopy images and subsequent analytical measurements. This ef cient and facile method can be helpful during electron microscopy investigation of different kinds of nanomaterials that suffer from ligand- induced contamination.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Impact Factor: 2.843
Times cited: 10
DOI: 10.1016/j.ultramic.2020.113195
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“Fast versus conventional HAADF-STEM tomography of nanoparticles: advantages and challenges”. Vanrompay H, Skorikov A, Bladt E, Béché, A, Freitag B, Verbeeck J, Bals S, Ultramicroscopy 221, 113191 (2021). http://doi.org/10.1016/j.ultramic.2020.113191
Abstract: HAADF-STEM tomography is a widely used experimental technique for analyzing nanometer-scale crystalline structures of a large variety of materials in three dimensions. Unfortunately, the acquisition of conventional HAADF-STEM tilt series can easily take up one hour or more, depending on the complexity of the experiment. It is therefore far from straightforward to investigate samples that do not withstand long acquisition or to acquire large amounts of tilt series during a single TEM experiment. The latter would lead to the ability to obtain statistically meaningful 3D data, or to perform in situ 3D characterizations with a much shorter time resolution. Various HAADF-STEM acquisition strategies have been proposed to accelerate the tomographic acquisition and reduce the required electron dose. These methods include tilting the holder continuously while acquiring a projection “movie” and a hybrid, incremental, methodology which combines the benefits of the conventional and continuous technique. However, until now an experimental evaluation has been lacking. In this paper, the different acquisition strategies will be experimentally compared in terms of speed, resolution and electron dose. This evaluation will be performed based on experimental tilt series acquired for various metallic nanoparticles with different shapes and sizes. We discuss the data processing involved with the fast HAADF-STEM tilt series and provide a general guideline when which acquisition strategy should be preferentially used.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.843
Times cited: 15
DOI: 10.1016/j.ultramic.2020.113191
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“Hidden Markov model for atom-counting from sequential ADF STEM images: Methodology, possibilities and limitations”. De wael A, De Backer A, Van Aert S, Ultramicroscopy 219, 113131 (2020). http://doi.org/10.1016/j.ultramic.2020.113131
Abstract: We present a quantitative method which allows us to reliably measure dynamic changes in the atomic structure of monatomic crystalline nanomaterials from a time series of atomic resolution annular dark field scanning transmission electron microscopy images. The approach is based on the so-called hidden Markov model and estimates the number of atoms in each atomic column of the nanomaterial in each frame of the time series. We discuss the origin of the improved performance for time series atom-counting as compared to the current state-of-the-art atom-counting procedures, and show that the so-called transition probabilities that describe the probability for an atomic column to lose or gain one or more atoms from frame to frame are particularly important. Using these transition probabilities, we show that the method can also be used to estimate the probability and cross section related to structural changes. Furthermore, we explore the possibilities for applying the method to time series recorded under variable environmental conditions. The method is shown to be promising for a reliable quantitative analysis of dynamic processes such as surface diffusion, adatom dynamics, beam effects, or in situ experiments.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.2
DOI: 10.1016/j.ultramic.2020.113131
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“An integrated assessment of environmental, economic, social and technological parameters of source separated and conventional sanitation concepts : a contribution to sustainability analysis”. Firmansyah I, Carsjens GJ, de Ruijter FJ, Zeeman G, Spiller M, Journal Of Environmental Management 295, 113131 (2021). http://doi.org/10.1016/J.JENVMAN.2021.113131
Abstract: Resource recovery and reuse from domestic wastewater has become an important subject for the current development of sanitation technologies and infrastructures. Different technologies are available and combined into sanitation concepts, with different performances. This study provides a methodological approach to evaluate the sustainability of these sanitation concepts with focus on resource recovery and reuse. St. Eustatius, a small tropical island in the Caribbean, was used as a case study for the evaluation. Three source separation-communityon-site and two combined sewerage island-scale concepts were selected and compared in terms of environmental (net energy use, nutrient recovery/reuse, BOD/COD, pathogens, and GHG emission, land use), economic (CAPEX and OPEX), social cultural (acceptance, required competences and education), and technological (flexibility/ adaptability, reliability/continuity of service) indicators. The best performing concept, is the application of Upflow Anaerobic Sludge Bed (UASB) and Trickling Filter (TF) at island level for combined domestic wastewater treatment with subsequent reuse in agriculture. Its overall average normalised score across the four categories (i. e., average of average per category) is about 15% (0.85) higher than the values of the remaining systems and with a score of 0.73 (conventional activated sludge – centralised level), 0.77 (UASB-septic tank (ST)), 0.76 (UASB-TF – community level), and 0.75 (ST – household level). The higher score of the UASB-TF at community level is mainly due to much better performance in the environmental and economic categories. In conclusion, the case study provides a methodological approach that can support urban planning and decision-making in selecting more sustainable sanitation concepts, allowing resource recovery and reuse in small island context or in other contexts.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 4.01
DOI: 10.1016/J.JENVMAN.2021.113131
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“Space charge corrected electron emission from an aluminum surface under non-equilibrium conditions”. Wendelen W, Mueller BY, Autrique D, Rethfeld B, Bogaerts A, Journal of applied physics 111, 113110 (2012). http://doi.org/10.1063/1.4729071
Abstract: A theoretical study has been conducted of ultrashort pulsed laser induced electron emission from an aluminum surface. Electron emission fluxes retrieved from the commonly employed Fowler-DuBridge theory were compared to fluxes based on a laser-induced non-equilibrium electron distribution. As a result, the two-and three-photon photoelectron emission parameters for the Fowler-DuBridge theory have been approximated. We observe that at regimes where photoemission is important, laser-induced electron emission evolves in a more smooth manner than predicted by the Fowler-DuBridge theory. The importance of the actual electron distribution decreases at higher laser fluences, whereas the contribution of thermionic emission increases. Furthermore, the influence of a space charge effect on electron emission was evaluated by a one dimensional particle-in-cell model. Depending on the fluences, the space charge reduces the electron emission by several orders of magnitude. The influence of the electron emission flux profiles on the effective electron emission was found to be negligible. However, a non-equilibrium electron velocity distribution increases the effective electron emission significantly. Our results show that it is essential to consider the non-equilibrium electron distribution as well as the space charge effect for the description of laser-induced photoemission. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4729071]
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 2.068
Times cited: 30
DOI: 10.1063/1.4729071
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“Self consistent nonlocal linear-response theory of a relativistic electron gas”. Leys FE, March NH, Angilella GGN, Lamoen D, Physical Review B 67, 113105 (2003). http://doi.org/10.1103/PhysRevB.67.113105
Keywords: A1 Journal article; Electron Microscopy for Materials Science (EMAT);
Impact Factor: 3.836
DOI: 10.1103/PhysRevB.67.113105
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“Interface controlled electronic variations in correlated heterostructures”. Gehrke K, Moshnyaga V, Samwer K, Lebedev OI, Verbeeck J, Kirilenko D, Van Tendeloo G, Physical review : B : condensed matter and materials physics 82, 113101 (2010). http://doi.org/10.1103/PhysRevB.82.113101
Abstract: An interface modification of (LaCa)MnO3-BaTiO3 superlattices was found to massively influence magnetic and magnetotransport properties. Moreover it determines the crystal structure of the manganite layers, changing it from orthorhombic (Pnma) for the conventional superlattice (cSL), to rhombohedral (R3̅ c) for the modified one (mSL). While the cSL shows extremely nonlinear ac transport, the mSL is an electrically homogeneous material. The observations go beyond an oversimplified picture of dead interface layers and evidence the importance of electronic correlations at perovskite interfaces.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.836
Times cited: 9
DOI: 10.1103/PhysRevB.82.113101
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“HAADF-STEM block-scanning strategy for local measurement of strain at the nanoscale”. Prabhakara V, Jannis D, Guzzinati G, Béché, A, Bender H, Verbeeck J, Ultramicroscopy 219, 113099 (2020). http://doi.org/10.1016/j.ultramic.2020.113099
Abstract: Lattice strain measurement of nanoscale semiconductor devices is crucial for the semiconductor industry as strain substantially improves the electrical performance of transistors. High resolution scanning transmission electron microscopy (HR-STEM) imaging is an excellent tool that provides spatial resolution at the atomic scale and strain information by applying Geometric Phase Analysis or image fitting procedures. However, HR-STEM images regularly suffer from scanning distortions and sample drift during image acquisition. In this paper, we propose a new scanning strategy that drastically reduces artefacts due to drift and scanning distortion, along with extending the field of view. It consists of the acquisition of a series of independent small subimages containing an atomic resolution image of the local lattice. All subimages are then analysed individually for strain by fitting a nonlinear model to the lattice images. The method allows flexible tuning of spatial resolution and the field of view within the limits of the dynamic range of the scan engine while maintaining atomic resolution sampling within the subimages. The obtained experimental strain maps are quantitatively benchmarked against the Bessel diffraction technique. We demonstrate that the proposed scanning strategy approaches the performance of the diffraction technique while having the advantage that it does not require specialized diffraction cameras.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.2
Times cited: 4
DOI: 10.1016/j.ultramic.2020.113099
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