“Correlation of serum aluminium values with tissue aluminium concentration”. de Broe ME, van de Vijver FL, Bekaert AB, d'Haese P, Paulus GJ, Visser WJ, Van Grieken R, de Wolff FA, Verbueken AH, Contributions to nephrology 38, 37 (1984)
Keywords: A1 Journal article; Pharmacology. Therapy; Pathophysiology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Localization of aluminum in tissues”. Verbueken AH, van de Vijver FL, Nouwen EJ, Van Grieken RE, de Broe ME, Contributions to nephrology 64, 124 (1988)
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Patterns of iron storage in patients with severe renal failure”. van de Vijver FL, Vanheule AO, Verbueken AH, Van Grieken R, d'Haese P, Visser WJ, Bekaert AB, Buyssens N, de Broe ME, Contributions to nephrology 38, 153 (1984)
Keywords: A1 Journal article; Pharmacology. Therapy; Pathophysiology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Numerical models of the planar magnetron glow discharges”. Kolev I, Bogaerts A, Contributions to plasma physics 44, 582 (2004). http://doi.org/10.1002/ctpp.200410085
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 1.44
Times cited: 22
DOI: 10.1002/ctpp.200410085
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“Plasmonic effects in the neutralization of slow ions at a metallic surface”. Bercx M, Mayda S, Depla D, Partoens B, Lamoen D, Contributions to Plasma Physics (2023). http://doi.org/10.1002/ctpp.202300054
Abstract: Secondary electron emission is an important process that plays a significant role in several plasma‐related applications. As measuring the secondary electron yield experimentally is very challenging, quantitative modelling of this process to obtain reliable yield data is critical as input for higher‐scale simulations. Here, we build upon our previous work combining density functional theory calculations with a model originally developed by Hagstrum to extend its application to metallic surfaces. As plasmonic effects play a much more important role in the secondary electron emission mechanism for metals, we introduce an approach based on Poisson point processes to include both surface and bulk plasmon excitations to the process. The resulting model is able to reproduce the yield spectra of several available experimental results quite well but requires the introduction of global fitting parameters, which describe the strength of the plasmon interactions. Finally, we use an in‐house developed workflow to calculate the electron yield for a list of elemental surfaces spanning the periodic table to produce an extensive data set for the community and compare our results with more simplified approaches from the literature.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Impact Factor: 1.6
DOI: 10.1002/ctpp.202300054
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“Applications of reticular diversity in metal-organic frameworks : an ever-evolving state of the art”. Ejsmont A, Andreo J, Lanza A, Galarda A, Macreadie L, Wuttke S, Canossa S, Ploetz E, Goscianska J, Coordination Chemistry Reviews 430, 213655 (2021). http://doi.org/10.1016/J.CCR.2020.213655
Abstract: Metal-organic frameworks (MOFs) are exciting materials due to their extensive applicability in a multitude of modern technological fields. Their most prominent characteristic and primary origin of their widespread success is the exceptional variety of their structures, which we termed 'reticular diversity'. Naturally, the ever-emerging applications of MOFs made it increasingly common that researchers from various areas delve into reticular chemistry to overcome their scientific challenges. This confers a crucial role to comprehensive overviews capable of providing newcomers with the knowledge of the state of the art, as well as with the key physics and chemistry considerations needed to design MOFs for a specific application. In this review, we commit to this purpose by outlining the fundamental understanding needed to carefully navigate MOFs' reticular diversity in their main fields of application, namely hostguest chemistry, chemical sensing, electronics, photophysics, and catalysis. Such knowledge and a meticulous, open-minded approach to the design of MOFs paves the way for their most innovative and successful applications, and for the global advancement of the research areas they are employed in. (C) 2020 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 13.324
DOI: 10.1016/J.CCR.2020.213655
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“Crack initiation in tapered high Si stainless steel specimens : stress threshold analyses”. Penders A, Konstantinovic MJ, Bosch RW, Schryvers D, Corrosion Engineering Science And Technology , 1 (2020). http://doi.org/10.1080/1478422X.2020.1785651
Abstract: Tapered specimens were used for an accelerated test technique to study the crack initiation of high Si stainless steel by means of constant elongation rate tensile testing in a simulated pressurised water reactor environment. Detailed crack density distributions were obtained by applying an advanced crack detection algorithm on iteratively displaced scanning electron microscopy pictures featuring stress corrosion cracks along the specimen's gauge length. By means of finite-element analysis, prominent peaks in the crack density graphs are demonstrated to be related to stress relief and stress build-up during the crack initiation phase. Intrinsic scatter related to the crack detection suggests that stress corrosion cracking is independent of the strain-rate for strain-rates lower than 10(-6 )s(-1). Based on the extrapolation to constant load conditions, the critical threshold value for the duplex high Si stainless steel is estimated to be around 580 MPa.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 1.8
Times cited: 1
DOI: 10.1080/1478422X.2020.1785651
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“TEM investigation of SCC crack tips in high Si stainless steel tapered specimens”. Penders A, Konstantinovic MJ, Van Renterghem W, Bosch RW, Schryvers D, Corrosion Engineering Science And Technology (2021). http://doi.org/10.1080/1478422X.2021.1961665
Abstract: The stress corrosion cracking (SCC) mechanism is investigated in high Si duplex stainless steel in a simulated PWR environment based on TEM analysis of FIB-extracted SCC crack tips. The microstructural investigation in the near vicinity of SCC crack tips illustrates a strain-rate dependence in SCC mechanisms. Detailed analysis of the crack tip morphology, that includes crack tip oxidation and surrounding deformation field, indicates the existence of an interplay between corrosion- and deformation-driven failure as a function of the strain rate. Slow strain-rate crack tips exhibit a narrow cleavage failure which can be linked to the film-induced failure mechanism, while rounded shaped crack tips for faster strain rates could be related to the strain-induced failure. As a result, two nominal strain-rate-dependent failure regimes dominated either by corrosion or deformation-driven cracking mechanisms can be distinguished.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 0.879
DOI: 10.1080/1478422X.2021.1961665
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“Degradation of galvanised iron roofing material in Tanzania by atmospheric corrosion”. Potgieter-Vermaak SS, Mmari A, Van Grieken R, McCrindle RI, Potgieter JH, Corrosion engineering science and technology 46, 642 (2011). http://doi.org/10.1179/147842210X12695149033972
Abstract: Galvanised iron is popular in many applications, particular as a roofing material. However, just like other materials, especially metallic ones, it is prone to degradation by corrosion. In this particular study, the degradation of galvanised roof sheets was investigated at a coastal, urban and rural site in Tanzania, Africa. Samples were exposed to various outdoor environments over a period of 3 years. In addition, some accelerated laboratory investigations were conducted in different simulated air pollution environments in an artificial corrosion chamber constructed for this purpose to supplement the outdoor exposure tests. It was found that the combination of the tropical climate and increasing air pollution due to industrial development in the capital Dar-es-Salaam resulted in substantial atmospheric corrosion of the roof sheets, which eventually leads to failure and the necessity for replacement. The rural site had the lowest degree of atmospheric corrosion as expected. A combination of different corrosion products was identified as a result of the atmospheric corrosion by Raman and EDX analyses. The information gained from this investigation could be utilised to construct more durable structures requiring less frequent replacement and maintenance in future.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1179/147842210X12695149033972
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“Stress-assisted crystallisation in anodic titania”. Vanhumbeeck J-F, Tian H, Schryvers D, Proost J, Corrosion science 53, 1269 (2011). http://doi.org/10.1016/j.corsci.2010.12.020
Abstract: The relationship between the microstructural and internal stress evolution during Ti anodising is discussed. Samples anodised galvanostatically to 12 V and 40 V, corresponding to different stages of the internal stress evolution, were examined by in-plane and cross-section transmission electron microscopy. Electron diffraction patterns have been complemented with stoichiometry data obtained from energy loss near edge structure spectra. The sample anodised to 40 V was observed to consist of two regions, with a crystallised inner region adjacent to the metal/oxide interface. Crystallisation of this region is associated with the presence of large compressive internal stresses which build up during anodising up to 12 V.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 5.245
Times cited: 11
DOI: 10.1016/j.corsci.2010.12.020
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“Multiscale investigation of quasi-brittle fracture characteristics in a 9Cr–1Mo ferritic–martensitic steel embrittled by liquid lead–bismuth under low cycle fatigue”. Gong X, Marmy P, Volodin A, Amin-Ahmadi B, Qin L, Schryvers D, Gavrilov S, Stergar E, Verlinden B, Wevers M, Seefeldt M, Corrosion science 102, 137 (2016). http://doi.org/10.1016/j.corsci.2015.10.003
Abstract: Liquid metal embrittlement (LME) induced quasi-brittle fracture characteristics of a 9Cr–1Mo ferritic–martensitic steel (T91) after fatigue cracking in lead–bismuth eutectic (LBE) have been investigated at various length scales. The results show that the LME fracture morphology is primarily characterized by quasi-brittle translath flat regions partially covered by nanodimples, shallow secondary cracks propagating along the martensitic lath boundaries as well as tear ridges covered by micro dimples. These diverse LME fracture features likely indicate a LME mechanism involving multiple physical processes, such as weakening induced interatomic decohesion at the crack tip and plastic shearing induced nano/micro voiding in the plastic zone.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Times cited: 16
DOI: 10.1016/j.corsci.2015.10.003
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“Transmission electron microscopy study of complex oxide scales on DIN 1.4970 steel exposed to liquid Pb-Bi eutectic”. Charalampopoulou E, Delville R, Verwerft M, Lambrinou K, Schryvers D, Corrosion science 147, 22 (2019). http://doi.org/10.1016/j.corsci.2018.10.018
Abstract: The deployment of Gen-IV lead-cooled fast reactors requires a good compatibility between the selected structural/cladding steels and the inherently corrosive heavy liquid metal coolant. An effective liquid metal corrosion mitigation strategy involves the in-situ steel passivation in contact with the oxygen-containing Pb-alloy coolant. Transmission electron microscopy was used in this work to study the multi-layered oxide scales forming on an austenitic stainless steel fuel cladding exposed to oxygen-containing (CO ≈ 10−6 mass%) static liquid leadbismuth eutectic (LBE) for 1000 h between 400 and 500 °C. The oxide scale constituents were analyzed, including the intertwined phases comprising the innermost biphasic layer.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Times cited: 5
DOI: 10.1016/j.corsci.2018.10.018
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“Compatibility of Zr₂AlC MAX phase-based ceramics with oxygen-poor, static liquid lead-bismuth eutectic”. Tunca B, Lapauw T, Callaert C, Hadermann J, Delville R, Caspi E'ad N, Dahlqvist M, Rosen J, Marshal A, Pradeep KG, Schneider JM, Vleugels J, Lambrinou K, Corrosion Science 171, 108704 (2020). http://doi.org/10.1016/J.CORSCI.2020.108704
Abstract: This work investigates the compatibility of Zr2AlC MAX phase-based ceramics with liquid LBE, and proposes a mechanism to explain the observed local Zr2AlC/LBE interaction. The ceramics were exposed to oxygen-poor (C-O <= 2.2 x 10(-10) mass%), static liquid LBE at 500 degrees C for 1000 h. A new Zr-2(Al,Bi,Pb)C MAX phase solid solution formed in-situ in the LBE-affected Zr2AlC grains. Out-of-plane ordering was favorable in the new solid solution, whereby A-layers with high and low-Bi/Pb contents alternated in the crystal structure, in agreement with first-principles calculations. Bulk Zr-2(Al,Bi,Pb)C was synthesized by reactive hot pressing to study the crystal structure of the solid solution by neutron diffraction.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 8.3
Times cited: 3
DOI: 10.1016/J.CORSCI.2020.108704
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“Many electron- and hole terms of molecular ions C60n\pm”. Nikolaev AV, Michel KH, Coupling In Chemistry And Physics 44, 305 (2003). http://doi.org/10.1016/S0065-3276(03)44019-7
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.196
Times cited: 1
DOI: 10.1016/S0065-3276(03)44019-7
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“(Electro)sensing of phenicol antibiotics : a review”. Pilehvar S, Gielkens K, Trashin SA, Dardenne F, Blust R, De Wael K, Critical reviews in food science and nutrition 56, 2416 (2016). http://doi.org/10.1080/10408398.2013.845140
Abstract: The presence of residues from frequent antibiotic use in animal feed can cause serious health risks by contaminating products for human consumption such as meat and milk. The present article gives an overview of the electrochemical methods developed for the detection of phenicol antibiotic residues (chloramphenicol, thiamphenicol, and florfenicol) in different kinds of foodstuffs. Electrochemical sensors based on different biomolecules and nanomaterials are described. The detection limit of various developed methods with their advantages and disadvantage will be highlighted.
Keywords: A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 6.077
Times cited: 13
DOI: 10.1080/10408398.2013.845140
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“CVD of copper oxides from a \beta-diketonate diamine precursor: tailoring the nano-organization”. Barreca D, Gasparotto A, Maccato C, Tondello E, Lebedev OI, Van Tendeloo G, Crystal growth &, design 9, 2470 (2009). http://doi.org/10.1021/cg801378x
Abstract: A copper(II) hexafluoroacetylacetonate (1,1,1,5,5,5-hexafluoro-2,4-pentanedionate, hfa) adduct with N,N,N¡ä,N¡ä-tetramethylethylenediamine (TMEDA) [Cu(hfa)2¡¤TMEDA] is used for the first time as precursor for the chemical vapor deposition (CVD) of copper oxide nanosystems. The syntheses are carried out under both O2 and O2+H2O reaction atmospheres on Si(100) substrates, at temperatures ranging between 250 and 550 ¡ãC. Subsequently, the interrelations between the preparative conditions and the system composition, nanostructure, and morphology are elucidated by means of complementary analytical techniques [Fourier transform infrared spectroscopy (FT-IR), X-ray photoelectron and X-ray excited auger electron spectroscopies (XPS and XE-AES), glancing incidence X-ray diffraction (GIXRD), field emission scanning electron microscopy (FESEM), transmission electron microscopy (TEM)]. The obtained data revealed a gradual transformation from Cu2O, to Cu2O + CuO, to CuO nanosystems upon increasing the deposition temperature from 250 to 550 ¡ãC under both growth atmospheres. Such a phenomenon was accompanied by a progressive morphological evolution from continuous films to 1D hyperbranched nanostructures. Water vapor introduction in the deposition environment enabled to lower the deposition temperature and resulted in a higher aggregate interconnection, attributed to a higher density of nucleation centers.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 60
DOI: 10.1021/cg801378x
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“Differences between ultrananocrystalline and nanocrystalline diamond growth: theoretical investigation of CxHy species at diamond step edges”. Eckert M, Neyts E, Bogaerts A, Crystal growth &, design 10, 4123 (2010). http://doi.org/10.1021/cg100804v
Abstract: The behavior of hydrocarbon species at step edges of diamond terraces is investigated by means of combined molecular dynamics−Metropolis Monte Carlo simulations. The results show that the formation of ballas-like diamond films (like UNCD) and well-faceted diamond films (like NCD) can be related to the gas phase concentrations of CxHy in a new manner: Species that have high concentrations above the growing UNCD films suppress the extension of step edges through defect formation. The species that are present above the growing NCD film, however, enhance the extension of diamond terraces, which is believed to result in well-faceted diamond films. Furthermore, it is shown that, during UNCD growth, CxHy species with x ≥ 2 play an important role, in contrast to the currently adopted CVD diamond growth mechanism. Finally, the probabilities for the extension of the diamond (100) terrace are much higher than those for the diamond (111) terrace, which is in full agreement with the experimental observation that diamond (100) facets are more favored than diamond (111) facets during CVD diamond growth.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.055
Times cited: 11
DOI: 10.1021/cg100804v
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“An effective morphology control of hydroxyapatite crystals via hydrothermal synthesis”. Neira IS, Kolen'ko YV, Lebedev OI, Van Tendeloo G, Gupta HS, Guitián F, Yoshimura M, Crystal growth &, design 9, 466 (2009). http://doi.org/10.1021/cg800738a
Abstract: A facile urea-assisted hydrothermal synthesis and systematic characterization of hydroxyapatite (HA) with calcium nitrate tetrahydrate and diammonium hydrogen phosphate as precursors are reported. The advantage of the proposed technique over previously reported synthetic approaches is the simple but precise control of the HA crystals morphology, which is achieved by employing an intensive, stepwise, and slow thermal decomposition of urea as well as varying initial concentrations of starting reagents. Whereas the plate-, hexagonal prism- and needle-like HA particles preferentially growth along the c-axis, the smaller and fine-plate-like HA crystals demonstrate crystal growth along the (102) and (211) directions, uncommon for HA. Furthermore, it was established that the hydrothermally derived powdered products are phase-pure HA containing CO32− anions in the crystal lattice, that is, AB-type carbonated hydroxyapatite. Transmission electron microscopy (TEM) and electron diffraction (ED) of selected samples reveal that the as-prepared HA crystals are single-crystalline and exhibit a nearly defect-free microstructure. The hardness and elastic modulus of the hexagonal prism-like HA crystals have been investigated on a nanoscale using the nanoindentation technique; the observed trends are discussed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 183
DOI: 10.1021/cg800738a
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“Highly oriented ZnO nanorod arrays by a novel plasma chemical vapor deposition process”. Bekermann D, Gasparotto A, Barreca D, Bovo L, Devi A, Fischer RA, Lebedev OI, Maccato C, Tondello E, Van Tendeloo G, Crystal growth &, design 10, 2011 (2010). http://doi.org/10.1021/cg1002012
Abstract: Strongly c-axis oriented ZnO nanorod arrays were grown on Si(100) by plasma enhanced-chemical vapor deposition (PE-CVD) starting from two volatile bis(ketoiminato) zinc(II) compounds Zn[(R′)NC(CH3)═C(H)C(CH3)═O]2, with R′ = -(CH2)xOCH3 (x = 2, 3). A systematic investigation of process parameters enabled us to obtain the selective formation of ZnO nanorods with tailored features, and provided an important insight into their growth mechanism. The morphology, structure, and composition of the synthesized ZnO nanosystems were thoroughly analyzed by field emission-scanning electron microscopy (FE-SEM), energy dispersive X-ray spectroscopy (EDXS), glancing incidence X-ray diffraction (GIXRD), X-ray photoelectron spectroscopy (XPS), and transmission electron microscopy (TEM). Photoluminescence (PL) measurements were carried out to gain information on the optical properties. Specifically, one-dimensional (1D) ZnO architectures could be grown on Si(100) substrates at temperatures as low as 200−300 °C and radio frequency (RF)-power values of 20 W, provided that a sufficiently high mass supply to the growth surface was maintained. To the best of our knowledge, the present work reports the mildest preparation conditions ever appeared in the literature for the PE-CVD of ZnO nanorods, a key result in view of potential large-scale technological applications.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 75
DOI: 10.1021/cg1002012
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“Insight into the growth of multiple branched MnOOH nanorods”. Li Y, Tan H, Lebedev O, Verbeeck J, Biermans E, Van Tendeloo G, Su B-L, Crystal growth &, design 10, 2969 (2010). http://doi.org/10.1021/cg100009k
Abstract: Multiple branched manganese oxide hydroxide (MnOOH) nanorods prepared by a hydrothermal process were extensively studied by transmission electron microscopy (TEM). A model of the branch formation is proposed together with a study of the interface structure. The sword-like tip plays a crucial role for the nanorods to form different shapes. Importantly, the branching occurs at an angle of around either 57 degrees or 123 degrees. Specifically, a (111) twin plane can only be formed at the interface with a 123 degrees angle. The interfaces formed with a 57 degrees angle usually contain edge dislocations. Electron energy loss spectroscopy (EELS) demonstrates that the whole crystal has a uniform chemical composition. Interestingly, an epitaxial growth of Mn3O4 at the radial surface was also observed under electron beam irradiation; this is because of the rough purification of the products. The proposed mechanism is expected to shed light on the branched/dendrite nanostructure growth and to provide opportunities for further novel nanomaterial structure growth and design.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 41
DOI: 10.1021/cg100009k
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“Insights into the growth of (ultra)nanocrystalline diamond by combined molecular dynamics and Monte Carlo simulations”. Eckert M, Neyts E, Bogaerts A, Crystal growth &, design 10, 3005 (2010). http://doi.org/10.1021/cg100063c
Abstract: In this paper, we present the results of combined molecular dynamics−Metropolis Monte Carlo (MD-MMC) simulations of hydrocarbon species at flat diamond (100)2 × 1 and (111)1 × 1 surfaces. The investigated species are considered to be the most important growth species for (ultra)nanocrystalline diamond ((U)NCD) growth. When applying the MMC algorithm to stuck species at monoradical sites, bonding changes are only seen for CH2. The sequence of the bond breaking and formation as put forward by the MMC simulations mimics the insertion of CH2 into a surface dimer as proposed in the standard growth model of diamond. For hydrocarbon species attached to two adjacent radical (biradical) sites, the MMC simulations give rise to significant changes in the bonding structure. For UNCD, the combinations of C3 and C3H2, and C3 and C4H2 (at diamond (100)2 × 1) and C and C2H2 (at diamond (111)1 × 1) are the most successful in nucleating new crystal layers. For NCD, the following combinations pursue the diamond structure the best: C2H2 and C3H2 (at diamond (100)2 × 1) and CH2 and C2H2 (at diamond (111)1 × 1). The different behaviors of the hydrocarbon species at the two diamond surfaces are related to the different sterical hindrances at the diamond surfaces.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.055
Times cited: 13
DOI: 10.1021/cg100063c
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“Understanding the surface diffusion processes during magnetron sputter-deposition of complex oxide Mg-Al-O thin films”. Georgieva V, Voter AF, Bogaerts A, Crystal growth &, design 11, 2553 (2011). http://doi.org/10.1021/cg200318h
Abstract: It is known that film structure may change dramatically with the extent of surface diffusion during the film growth process. In the present work, surface diffusion, induced thermally or activated by energetic impacts, is investigated theoretically under conditions appropriate for magnetron sputter-deposition of MgAlO thin films with varying stoichiometry. The distribution of surface diffusion energy barriers available to the system was determined for each stoichiometry, which allowed assessing in a qualitative way how much surface diffusion will take place on the time scale available between deposition events. The activation energy barriers increase with the Al concentration in the film, and therefore, the surface diffusion rates in the time frame of typical deposition rates drop, which can explain the decrease in crystallinity in the film structure and the transition to amorphous structure. The deposition process and the immediate surface diffusion enhanced by the energetic adatoms are simulated by means of a molecular dynamics model. The longer-time thermal surface diffusion and the energy landscape are studied by the temperature accelerated dynamics method, applied in an approximate way. The surface diffusion enhanced by the energetic impacts appears to be very important for the film structure in the low-temperature deposition regime.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.055
Times cited: 14
DOI: 10.1021/cg200318h
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“Elucidation of the Growth Mechanism of Sputtered 2D Hexagonal Boron Nitride Nanowalls”. Hoang D-Q, Pobedinskas P, Nicley SS, Turner S, Janssens SD, Van Bael MK, D'Haen J, Haenen K, Crystal growth &, design 16, 3699 (2016). http://doi.org/10.1021/ACS.CGD.6B00191
Abstract: Hexagonal boron nitride nanowall thin films were deposited on Si(100) substrates using a Ar(51%)/N-2(44%)/H-2(5%) gas mixture by unbalanced radio frequency sputtering. The effects of various target-to-substrate distances, substrate temperatures, and substrate tilting angles were investigated. When the substrate is close to the target, hydrogen etching plays a significant role in the film growth, while the effect is negligible for films deposited at a farther distance. The relative quantity of defects was measured by a non-destructive infrared spectroscopy technique that characterized the hydrogen incorporation at dangling nitrogen bonds at defect sites in the deposited films. Despite the films deposited at different substrate tilting angles, the nanowalls of those films were found to consistently grow vertical to the substrate surface, independent of the tilting angle. This implies that chemical processes, rather than physical ones, govern the growth of the nanowalls. The results also reveal that the degree of nanowall crystallization is tunable by varying the growth parameters. Finally, evidence of hydrogen desorption during vacuum annealing is given based on measurements of infrared stretching (E-1u) and bending (A(2u)) modes of the optical phonons, and the H-N vibration mode.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 8
DOI: 10.1021/ACS.CGD.6B00191
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“On the Origin of Diamond Plates Deposited at Low Temperature”. Drijkoningen S, Pobedinskas P, Korneychuk S, Momot A, Balasubramaniam Y, Van Bael MK, Turner S, Verbeeck J, Nesladekt M, Haenen K, Crystal growth &, design 17, 4306 (2017). http://doi.org/10.1021/ACS.CGD.7B00623
Abstract: The crucial requirement for diamond growth at low temperatures, enabling a wide range of new applications, is a high plasma density at a low gas pressure, which leads to a low thermal load onto sensitive substrate materials. While these conditions are not within reach for resonance cavity plasma systems, linear antenna microwave delivery systems allow the deposition of high quality diamond films at temperatures around 400 degrees C and at pressures below 1 mbar. In this work the codeposition of high quality plates and octahedral diamond grains in nanocrystalline films is reported. In contrast to previous reports claiming the need for high temperatures (T >= 850 degrees C), low temperatures (320 degrees C <= T <= 410 degrees C) were sufficient to deposit diamond plate structures. Cross-sectional high resolution transmission electron microscopy studies show that these plates are faulty cubic diamond terminated by large {111} surface facets with very little sp(2) bonded carbon in the grain boundaries. Raman and electron energy loss spectroscopy studies confirm a high diamond quality, above 93% sp(3) carbon content. Three potential mechanisms, that can account for the initial development of the observed plates rich with stacking faults, and are based on the presence of impurities, are proposed.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 23
DOI: 10.1021/ACS.CGD.7B00623
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“Controlled Growth of Supported ZnO Inverted Nanopyramids with Downward Pointing Tips”. Barreca D, Carraro G, Maccato C, Altantzis T, Kaunisto K, Gasparotto A, Crystal growth &, design , acs.cgd.8b00198 (2018). http://doi.org/10.1021/acs.cgd.8b00198
Abstract: High purity porous ZnO nanopyramids with controllable properties are grown on their tips on
Si(100) substrates by means of a catalyst-free vapor phase deposition route in a wet oxygen
reaction environment. The system degree of preferential [001] orientation, as well as
nanopyramid size, geometrical shape and density distribution, can be finely tuned by varying the
growth temperature between 300 and 400°C, whereas higher temperatures lead to more compact
systems with a three-dimensional (3D) morphology. A growth mechanism of the obtained ZnO
nanostructures based on a self-catalytic vapor-solid (VS) mode is proposed, in order to explain
the evolution of nanostructure morphologies as a function of the adopted process conditions. The
results obtained by a thorough chemico-physical characterization enable to get an improved
control over the properties of ZnO nanopyramids grown by this technique. Taken together, they
are of noticeable importance not only for fundamental research on ZnO nanomaterials with
controlled nano-organization, but also to tailor ZnO functionalities in view of various potential
applications.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.055
Times cited: 6
DOI: 10.1021/acs.cgd.8b00198
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“Electron microscopy and X-ray study of the growth of FeCr2S4 spinel single crystals by chemical vapour transport”. Volkov VV, van Heurck C, van Landuyt J, Amelinckx S, Zhukov EG, Polulyak ES, Novotortsev VM, Crystal research and technology 28, 1051 (1993). http://doi.org/10.1002/crat.2170280804
Abstract: The growth features of FeCr2S4 spinel single crystals prepared by chemical vapour transport were studied by means of scanning electron microscopy, transmission electron microscopy, high resolution electron microscopy, electron diffraction and X-ray analysis. Our results indicate that the epitaxial growth of the new phases FeCr7S12 and FeCr8S12, both based on the NiAs structure, can essentially inhibit the growth of large FeCr2S4 spinel single crystals in the octahedral habit. The new phases are fully characterised and the effects of defect ordering in these new phases are also reported.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 0.935
Times cited: 1
DOI: 10.1002/crat.2170280804
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“High resolution neutron and X-ray diffraction studies as a function of temperature and electric field of the ferroelectric phase transition of RDP”. Mattauch S, Heger G, Michel KH, Crystal research and technology 39, 1027 (2004). http://doi.org/10.1002/crat.200410289
Abstract: Neutron and high resolution X-ray diffraction investigations on perfect single crystals of RbH2PO4 (RDP), a hydrogen bonded ferroelectric of KDP type are reported. The results of crystal structure analysis from diffraction data, below and above the paraelectric – ferroelectric phase transition, support a disorder – order character Of [PO4H2](-)-groups. The tetragonal symmetry of the paraelectric phase with the double well potential of the hydrogen atoms obtained by diffraction, results simply from a time-space average of orthorhombic symmetry. According to the group – subgroup relation between the tetragonal space group 142d and the orthorhombic Fdd2 a short range order of ferroelectric clusters in the tetragonal phase is observed. With decreasing temperature the ferroelectric clusters increase and the long range interaction between their local polarisation vectors leads to the formation of lamellar ferroelectric domains with alternating polarisation directions at T-C = 147 K. From the high resolution X-ray data it is concluded that below T-C the ferroelastic strain in the (a,b)-plane leads to micro-angle grain boundaries at the domain walls. The tilt angle is enhanced by an applied electric field parallel to the ferroelectric axis. The resulting dislocations at the domain walls persist in the paraelectric phase leading to a memory effect for the arrangement of twin lamellae. With increased electric field the phase transition temperature T-C is decreased.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1
Times cited: 12
DOI: 10.1002/crat.200410289
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“Water structures and packing efficiency in methylene blue cyanometallate salts”. Canossa S, Graiff C, Crocco D, Predieri G, Crystals 10, 558 (2020). http://doi.org/10.3390/CRYST10070558
Abstract: Crystal structure prediction is the holy grail of crystal engineering and is key to its ambition of driving the formation of solids based on the selection of their molecular constituents. However, this noble quest is hampered by the limited predictability of the incorporation of solvent molecules, first and foremost the ubiquitous water. In this context, we herein report the structure of four methylene blue cyanometallate phases, where anions with various shapes and charges influence the packing motif and lead to the formation of differently hydrated structures. Importantly, water molecules are observed to play various roles as isolated fillings, dimers, or an infinite network with up to 13 water molecules per repeating unit. Each crystal structure has been determined by single-crystal X-ray diffraction and evaluated with the aid of Hirshfeld surface analysis, focussing on the role of water molecules and the hierarchy of different classes of interactions in the overall supramolecular landscape of the crystals. Finally, the collected pieces of evidence are matched together to highlight the leading role of MB stacking and to derive an explanation for the observed hydration diversity based on the structural role of water molecules in the crystal architecture.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.566
DOI: 10.3390/CRYST10070558
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“Controlled vapor-phase synthesis of cobalt oxide nanomaterials with tuned composition and spatial organization”. Barreca D, Gasparotto A, Lebedev OI, Maccato C, Pozza A, Tondello E, Turner S, Van Tendeloo G, CrystEngComm 12, 2185 (2010). http://doi.org/10.1039/b926368n
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.474
Times cited: 85
DOI: 10.1039/b926368n
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“Modeling adatom surface processes during crystal growth: a new implementation of the Metropolis Monte Carlo algorithm”. Eckert M, Neyts E, Bogaerts A, CrystEngComm 11, 1597 (2009). http://doi.org/10.1039/b822973m
Abstract: In this paper, a new implementation of the Metropolis Monte Carlo (MMC) algorithm is presented. When combining the MMC model with a molecular dynamics (MD) code, crystal growth by plasma-enhanced chemical vapor deposition can be simulated. As the MD part simulates impacts of growth species onto the surface on a time scale of picoseconds, the MMC algorithm simulates the slower adatom surface processes. The implementation includes a criterion for the selection of atoms that are allowed to be displaced during the simulation, and a criterion of after how many MMC cycles the simulation is stopped. We performed combined MD-MMC simulations for hydrocarbon species that are important for the growth of ultrananocrystalline diamond (UNCD) films at partially hydrogenated diamond surfaces, since this implementation is part of a study of the growth mechanisms of (ultra)nanocrystalline diamond films. Exemplary for adatom arrangements during the growth of UNCD, the adatom surface behavior of C and C2H2 at diamond (111)1 × 1, C and C4H2 at diamond (111)1 × 1 and C3 at diamond (100)2 × 1 has been investigated. For all cases, the diamond crystal structure is pursued under the influence of MMC simulation. Additional longer time-scale MD simulations put forward very similar structures, verifying the MMC algorithm. Nevertheless, the MMC simulation time is typically one order of magnitude shorter than the MD simulation time.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.474
Times cited: 15
DOI: 10.1039/b822973m
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