“High resolution transmission electron microscopy study of nanoscale Ni-rich Ni-Al films evaporated onto NaCl and KCl”. Yandouzi M, Toth L, Schryvers D, Nanostructured materials 10, 99 (1998). http://doi.org/10.1016/S0965-9773(98)00025-7
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 2
DOI: 10.1016/S0965-9773(98)00025-7
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“High strength-ductility of thin nanocrystalline palladium films with nanoscale twins : on-chip testing and grain aggregate model”. Colla M-S, Wang B, Idrissi H, Schryvers D, Raskin J-P, Pardoen T, Acta materialia 60, 1795 (2012). http://doi.org/10.1016/j.actamat.2011.11.054
Abstract: The mechanical behaviour of thin nanocrystalline palladium films with an ∼30 nm in plane grain size has been characterized on chip under uniaxial tension. The films exhibit a large strain hardening capacity and a significant increase in the strength with decreasing thickness. Transmission electron microscopy has revealed the presence of a moderate density of growth nanotwins interacting with dislocations. A semi-analytical grain aggregate model is proposed to investigate the impact of different contributions to the flow behaviour, involving the effect of twins, of grain size and of the presence of a thin surface layer. This model provides guidelines to optimizing the strength/ductility ratio of the films.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 5.301
Times cited: 38
DOI: 10.1016/j.actamat.2011.11.054
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“High temperature rise dominated cracking mechanisms in ultra-ductile and tough titanium alloy”. Choisez L, Ding L, Marteleur M, Idrissi H, Pardoen T, Jacques PJ, Nature Communications 11, 2110 (2020). http://doi.org/10.1038/S41467-020-15772-1
Abstract: Extensive use of titanium alloys is partly hindered by a lack of ductility, strain hardening, and fracture toughness. Recently, several beta -metastable titanium alloys were designed to simultaneously activate both transformation-induced plasticity and twinning-induced plasticity effects, resulting in significant improvements to their strain hardening capacity and resistance to plastic localization. Here, we report an ultra-large fracture resistance in a Ti-12Mo alloy (wt.%), that results from a high resistance to damage nucleation, with an unexpected fracture phenomenology under quasi-static loading. Necking develops at a large uniform true strain of 0.3 while fracture initiates at a true fracture strain of 1.0 by intense through-thickness shear within a thin localized shear band. Transmission electron microscopy reveals that dynamic recrystallization occurs in this band, while local partial melting is observed on the fracture surface. Shear band temperatures of 1250-2450 degrees C are estimated by the fusible coating method. The reported high ductility combined to the unconventional fracture process opens alternative avenues toward Ti alloys toughening. Specific titanium alloys combine transformation-induced plasticity and twinning-induced plasticity for improved work hardening. Here, the authors show that these alloys also have an ultra-large fracture resistance and an unexpected fracture mechanism via dynamic recrystallization and local melting in a deformation band.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.6
Times cited: 1
DOI: 10.1038/S41467-020-15772-1
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“High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity”. Pandey T, Peeters FM, Milošević, MV, Journal of materials chemistry C : materials for optical and electronic devices 11, 11185 (2023). http://doi.org/10.1039/D3TC02169F
Abstract: Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.4
Times cited: 1
DOI: 10.1039/D3TC02169F
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“High variability in nutritional value and safety of commercially available Chlorella and Spirulina biomass indicates the need for smart production strategies”. Muys M, Sui Y, Schwaiger B, Lesueur C, Vandenheuvel D, Vermeir P, Vlaeminck SE, Bioresource technology 275, 247 (2019). http://doi.org/10.1016/J.BIORTECH.2018.12.059
Abstract: Microalgal biomass production is a resource-efficient answer to the exponentially increasing demand for protein, yet variability in biomass quality is largely unexplored. Nutritional value and safety were determined for Chlorella and Spirulina biomass from different producers, production batches and the same production batch. Chlorella presented a similar protein content (47 ± 8%) compared to Spirulina (48 ± 4%). However, protein quality, expressed as essential amino acid index, and digestibility were lower for Chlorella (1.1 ± 0.1 and 51 ± 9%, respectively) compared to Spirulina (1.3 ± 0.1 and 61 ± 4%, respectively). Generally, variability was lower between batches and within a batch. Heavy metals, pesticides, mycotoxins, antibiotics and nitrate did not violate regulatory limits, while polycyclic aromatic hydrocarbon levels exceeded the norm for some samples, indicating the need for continuous monitoring. This first systematic screening of commercial microalgal biomass revealed a high nutritional variability, necessitating further optimization of cultivation and post-processing conditions. Based on price and quality, Spirulina was preferred above Chlorella.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.BIORTECH.2018.12.059
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“High viscosity to highly dispersed PtPd bimetallic nanocrystals for enhanced catalytic activity and stability”. Ying J, Hu Z-Y, Yang X-Y, Wei H, Xiao Y-X, Janiak C, Mu S-C, Tian G, Pan M, Van Tendeloo G, Su B-L, Chemical communications 52, 8219 (2016). http://doi.org/10.1039/c6cc00912c
Abstract: A facile high-viscosity-solvent method is presented to synthesize PtPd bimetallic nanocrystals highly dispersed in different mesostructures (2D and 3D structures), porosities (large and small pore sizes), and compositions (silica and carbon). Further, highly catalytic activity, stability and durability of the nanometals have been proven in different catalytic reactions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 6.319
Times cited: 19
DOI: 10.1039/c6cc00912c
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“High-capacity hydrogen storage in Al-adsorbed graphene”. Ao ZM, Peeters FM, Physical review : B : condensed matter and materials physics 81, 205406 (2010). http://doi.org/10.1103/PhysRevB.81.205406
Abstract: A high-capacity hydrogen storage mediumAl-adsorbed grapheneis proposed based on density-functional theory calculations. We find that a graphene layer with Al adsorbed on both sides can store hydrogen up to 13.79 wt % with average adsorption energy −0.193 eV/H2. Its hydrogen storage capacity is in excess of 6 wt %, surpassing U. S. Department of Energy (DOEs) target. Based on the binding-energy criterion and molecular-dynamics calculations, we find that hydrogen storage can be recycled at near ambient conditions. This high-capacity hydrogen storage is due to the adsorbed Al atoms that act as bridges to link the electron clouds of the H2 molecules and the graphene layer. As a consequence, a two-layer arrangement of H2 molecules is formed on each side of the Al-adsorbed graphene layer. The H2 concentration in the hydrogen storage medium can be measured by the change in the conductivity of the graphene layer.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 219
DOI: 10.1103/PhysRevB.81.205406
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“High-energy polarized-beam EDXRF for trace metal analysis of vegetation samples in environmental studies”. Marguí, E, Padilla R, Hidalgo M, Queralt I, Van Grieken R, X-ray spectrometry 35, 169 (2006). http://doi.org/10.1002/XRS.890
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.890
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“High-energy polarized-beam energy-dispersive X-ray fluorescence analysis combined with activated thin layers for cadmium determination at trace levels in complex environmental liquid samples”. Marguí, E, Fontàs C, van Meel K, Van Grieken R, Queralt I, Hidalgo M, Analytical chemistry 80, 2357 (2008). http://doi.org/10.1021/AC7018427
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1021/AC7018427
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“High-field cyclotron resonance and electron-phonon interaction in modulation-doped multiple quantum well structures”. Wang YJ, Jiang ZX, McCombe BD, Peeters FM, Wu XG, Hai GQ, Eusfis TJ, Schaff W, Physica: B : condensed matter 256/258, 215 (1998). http://doi.org/10.1016/S0921-4526(98)00572-9
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.386
Times cited: 5
DOI: 10.1016/S0921-4526(98)00572-9
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“High-field magneto-resistance in GaAs-GaAlAs heterojunctions”. Leadley DR, Nicholas RJ, Xu W, Peeters FM, Devreese JT, Foxon CT, Harris JJ, Physica: B : condensed matter 184, 197 (1993). http://doi.org/10.1016/0921-4526(93)90348-A
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 1.319
Times cited: 4
DOI: 10.1016/0921-4526(93)90348-A
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“High-field magnetoexcitons in unstrained GaAs/AlxGa1-xAs quantum dots”. Sidor Y, Partoens B, Peeters FM, Schildermans N, Hayne M, Moshchalkov VV, Rastelli A, Schmidt OG, Physical review : B : condensed matter and materials physics 73, 155334 (2006). http://doi.org/10.1103/PhysRevB.73.155334
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 50
DOI: 10.1103/PhysRevB.73.155334
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“High-field magnetoresistance in GaAs/Ga0.7Al0.3As heterojunctions arising from elastic and inelastic scattering”. Leadley DR, Nicholas RJ, Xu W, Peeters FM, Devreese JT, Singleton J, Perenboom JA, van Bockstal L, Herlach F, Foxon CT, Harris JJ, Physical review : B : condensed matter and materials physics 48, 5457 (1993). http://doi.org/10.1103/PhysRevB.48.5457
Keywords: A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
Impact Factor: 3.736
Times cited: 22
DOI: 10.1103/PhysRevB.48.5457
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“High-field transport properties of graphene”. Dong HM, Xu W, Peeters FM, Journal of applied physics 110, 063704 (2011). http://doi.org/10.1063/1.3633771
Abstract: We present a theoretical investigation on the transport properties of graphene in the presence of high dc driving fields. Considering electron interactions with impurities and acoustic and optical phonons in graphene, we employ the momentum- and energy-balance equations derived from the Boltzmann equation to self-consistently evaluate the drift velocity and temperature of electrons in graphene in the linear and nonlinear response regimes. We find that the current-voltage relation exhibits distinctly nonlinear behavior, especially in the high electric field regime. Under the action of high-fields the large source-drain (sd) current density can be achieved and the current saturation in graphene is incomplete with increasing the sd voltage Vsd up to 3 V. Moreover, for high fields, Vsd>0.1 V, the heating of electrons in graphene occurs. It is shown that the sd current and electron temperature are sensitive to electron density and lattice temperature in the graphene device. This study is relevant to the application of graphene as high-field nano-electronic devices such as graphene field-effect transistors.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 17
DOI: 10.1063/1.3633771
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“High-mobility Bi2Se3 nanoplates manifesting quantum oscillations of surface states in the sidewalls”. Yan Y, Wang L-X, Ke X, Van Tendeloo G, Wu X-S, Yu D-P, Liao Z-M, Scientific reports 4, 3817 (2014). http://doi.org/10.1038/srep03817
Abstract: Magnetotransport measurements of topological insulators are very important to reveal the exotic topological surface states for spintronic applications. However, the novel properties related to the surface Dirac fermions are usually accompanied by a large linear magnetoresistance under perpendicular magnetic field, which makes the identification of the surface states obscure. Here, we report prominent Shubnikov-de Haas (SdH) oscillations under an in-plane magnetic field, which are identified to originate from the surface states in the sidewalls of topological insulator Bi2Se3 nanoplates. Importantly, the SdH oscillations appear with a dramatically weakened magnetoresistance background, offering an easy path to probe the surface states directly when the coexistence of surface states and bulk conduction is inevitable. Moreover, under a perpendicular magnetic field, the oscillations in Hall conductivity have peak-to-valley amplitudes of 2 e(2)/h, giving confidence to achieve a quantum Hall effect in this system. A cross-section view of the nanoplate shows that the sidewall is (015) facet dominant and therefore forms a 586 angle with regard to the top/ bottom surface instead of being perpendicular; this gives credit to the surface states' behavior as two-dimensional transport.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 4.259
Times cited: 31
DOI: 10.1038/srep03817
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“High-rate activated sludge systems combined with dissolved air flotation enable effective organics removal and recovery”. Cagnetta C, Saerens B, Meerburg FA, Decru SO, Broeders E, Menkveld W, Vandekerckhove TGL, De Vrieze J, Vlaeminck SE, Verliefde ARD, De Gusseme B, Weemaes M, Rabaey K, Bioresource technology 291, 121833 (2019). http://doi.org/10.1016/J.BIORTECH.2019.121833
Abstract: High-rate activated sludge (HRAS) systems typically generate diluted sludge which requires further thickening prior to anaerobic digestion (AD), besides the need to add considerable coagulant and flocculant for the solids separation. As an alternative to conventional gravitational settling, a dissolved air flotation (DAF) unit was coupled to a HRAS system or a high-rate contact stabilization (HiCS) system. The HRAS-DAF system allowed up to 78% removal of the influent solids, and the HiCS-DAF 67%. Both were within the range of values typically obtained for HRAS-settler systems, albeit at a lower chemical requirement. The separated sludge had a high concentration of up to 47 g COD L−1, suppressing the need of further thickening before AD. Methanation tests showed a biogas yield of up to 68% on a COD basis. The use of a DAF separation system can thus enable direct organics removal at high sludge concentration and with low chemical needs.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.BIORTECH.2019.121833
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“High-resolution electron microscopy and electron energy-loss spectroscopy of giant palladium clusters”. Oleshko V, Volkov V, Gijbels R, Jacob W, Vargaftik M, Moiseev I, Van Tendeloo G, Zeitschrift für Physik : D : atoms, molecules and clusters 34, 283 (1995). http://doi.org/10.1007/BF01437574
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT)
Times cited: 22
DOI: 10.1007/BF01437574
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“High-resolution electron microscopy observations of large Pd clusters”. Volkov VV, Van Tendeloo G, Vargaftik MN, Moiseev II, Journal of crystal growth 132, 359 (1993). http://doi.org/10.1016/0022-0248(93)90059-6
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.698
Times cited: 7
DOI: 10.1016/0022-0248(93)90059-6
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“High-resolution electron microscopy study of strained epitaxial La0.7Sr0.3MnO3 thin films”. Lebedev OI, Van Tendeloo G, Amelinckx S, Ju HL, Krishnan KM, Philosophical magazine: A: physics of condensed matter: defects and mechanical properties 80, 673 (2000). http://doi.org/10.1080/01418610008212075
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 52
DOI: 10.1080/01418610008212075
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“High-resolution mapping and modeling of anammox recovery from recurrent oxygen exposure”. Seuntjens D, Carvajal-Arroyo JM, Ruopp M, Bunse P, De Mulder CP, Lochmatter S, Agrawal S, Boon N, Lackner S, Vlaeminck SE, Water research 144, 522 (2018). http://doi.org/10.1016/J.WATRES.2018.07.024
Abstract: Oxygen inhibits anammox, a bioconversion executed by anoxic ammonium oxidizing bacteria (AnAOB). Nonetheless, oxygen is mostly found in the proximity of AnAOB in nitrogen removal applications, being a substrate for nitritation. The experiments performed to date were mostly limited to batch activity tests where AnAOB activity is estimated during oxygen exposure. However, little attention has been paid to the recovery and reversibility of activity following aerobic conditions, of direct relevance for bioreactor operation. In this work, anoxic and autotrophic reactor cultivation at 20 degrees C yielded an enriched microbial community in AnAOB, consisting for 75% of a member of the genus Brocadia. High-resolution kinetic data were obtained with online ammonium measurements and further processed with a newly developed Python data pipeline. The experimentally obtained AnAOB response showed complete inhibition until micro-aerobic conditions were reached again (<0.02 mg O-2 L-1). After oxygen inhibition, AnAOB recovered gradually, with recovery times of 5-37 h to reach a steady-state activity, dependent on the perceived inhibition. The recovery immediately after inhibition was lowest when exposed to higher oxygen concentrations (range: 0.5-8 mg O-2 L-1) with long contact times (range: 9-24 h). The experimental data did not fit well with a conventional 'instant recovery' Monod-type inhibition model. Yet, the fit greatly improved by incorporating a dynamic growth rate formula accurately describing gradual activity recovery. With the upgraded model, long-term kinetic simulations for partial nitritation/anammox (PN/A) with intermittent aeration showed a decrease in growth rate compared to the instant recovery mode. These results indicate that recovery of AnAOB after oxygen exposure was previously overlooked. It is recommended to account for this effect in the intensification of partial nitritation/anammox. (C) 2018 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.WATRES.2018.07.024
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“High-resolution X-ray fluorescence microtomography of homogeneous samples”. Simionovici AS, Chukalina M, Schroer C, Drakopoulos M, Snigirev A, Snigireva I, Lengeler B, Janssens K, Adams F, IEEE transactions on nuclear science 47, 2736 (2000). http://doi.org/10.1109/23.901180
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 1.171
DOI: 10.1109/23.901180
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“High-temperature conductance of a two-dimensional superlattice controlled by spin-orbit interaction”. Földi P, Szaszkó-Bogár V, Peeters FM, Physical review : B : condensed matter and materials physics 83, 115313 (2011). http://doi.org/10.1103/PhysRevB.83.115313
Abstract: Rashba-type spin-orbit interaction (SOI) controlled band structure of a two-dimensional superlattice allows for the modulation of the conductance of finite size devices by changing the strength of the SOI. We consider rectangular arrays and find that the temperature dependence of the conductance disappears for high temperatures, but the strength of the SOI still affects the conductance at these temperatures. The modulation effect can be seen even in the presence of strong dephasing, which can be important for practical applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 8
DOI: 10.1103/PhysRevB.83.115313
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“High-temperature electron-hole superfluidity with strong anisotropic gaps in double phosphorene monolayers”. Saberi-Pouya S, Zarenia M, Perali A, Vazifehshenas T, Peeters FM, Physical review B 97, 174503 (2018). http://doi.org/10.1103/PHYSREVB.97.174503
Abstract: Excitonic superfluidity in double phosphorene monolayers is investigated using the BCS mean-field equations. Highly anisotropic superfluidity is predicted where we found that the maximum superfluid gap is in the Bose-Einstein condensate (BEC) regime along the armchair direction and in the BCS-BEC crossover regime along the zigzag direction. We estimate the highest Kosterlitz-Thouless transition temperature with maximum value up to similar to 90 K with onset carrier densities as high as 4 x 10(12) cm(-2). This transition temperature is significantly larger than what is found in double electron-hole few-layers graphene. Our results can guide experimental research toward the realization of anisotropic condensate states in electron-hole phosphorene monolayers.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 17
DOI: 10.1103/PHYSREVB.97.174503
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“High-temperature multigap superconductivity in two-dimensional metal borides”. Sevik C, Bekaert J, Petrov M, Milošević, MV, Physical review materials 6, 024803 (2022). http://doi.org/10.1103/PhysRevMaterials.6.024803
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.4
Times cited: 4
DOI: 10.1103/PhysRevMaterials.6.024803
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“High-temperature properties of (La,Ca)(Fe,Mg,Mo)O3-\delta perovskites as prospective electrode materials for symmetrical SOFC”. Istomin SY, Morozov AV, Abdullayev MM, Batuk M, Hadermann J, Kazakov SM, Sobolev AV, Presniakov IA, Antipov EV, Journal of solid state chemistry 258, 1 (2018). http://doi.org/10.1016/J.JSSC.2017.10.005
Abstract: La1-yCayFe0.5+x(Mg,Mo)(0.5-x)O3-delta oxides with the orthorhombic GdFeO3-type perovskite structure have been synthesized at 1573 K. Transmission electron microscopy study for selected samples shows the coexistence of domains of perovskite phases with ordered and disordered B-cations. Mossbauer spectroscopy studies performed at 300 K and 573 K show that while compositions with low Ca-content (La0.55Ca0.45Fe0.5Mg0.2625Mo0.2375O3-delta and La0.5Ca0.5Fe0.6Mg0.175Mo0.225O3-delta) are nearly oxygen stoichiometric, La0.2Ca0.8Fe0.5Mg0.2625Mo0.2375O3-delta is oxygen deficient with delta approximate to 0.15. Oxides are stable in reducing atmosphere (Ar/H-2, 8%) at 1173 K for 12 h. No additional phases have been observed at XRPD patterns of all studied perovskites and Ce1-xGdxO2-x/2 electrolyte mixtures treated at 1173-1373K, while Fe-rich compositions (x >= 0.1) react with Zr1-xYxO2-x/2 electrolyte above 1273 K. Dilatometry studies reveal that all samples show rather low thermal expansion coefficients (TECs) in air of 11.4-12.7 ppm K-1. In reducing atmosphere their TECs were found to increase up to 12.1-15.4 ppm K-1 due to chemical expansion effect. High-temperature electrical conductivity measurements in air and Ar/H-2 atmosphere show that the highest conductivity is observed for Fe- and Ca-rich compositions. Moderate values of electrical conductivity and TEC together with stability towards chemical interaction with typical SOFC electrolytes make novel Fe-containing perovskites promising electrode materials for symmetrical solid oxide fuel cell.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.299
Times cited: 5
DOI: 10.1016/J.JSSC.2017.10.005
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“High-throughput analysis of tetragonal transition metal Xenes”. Yorulmaz U, Šabani D, Yagmurcukardes M, Sevik C, Milošević, MV, Physical chemistry, chemical physics 24, 29406 (2022). http://doi.org/10.1039/D2CP04191J
Abstract: We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.3
Times cited: 1
DOI: 10.1039/D2CP04191J
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“High-throughput characterization of single-quantum-dot emission spectra and spectral diffusion by multiparticle spectroscopy”. Mangnus MJJ, de Wit JW, Vonk SJW, Geuchies JJ, Albrecht W, Bals S, Houtepen AJ, Rabouw FT, ACS Photonics 10, 2688 (2023). http://doi.org/10.1021/ACSPHOTONICS.3C00420
Abstract: In recent years, quantum dots (QDs) have emerged as bright,color-tunablelight sources for various applications such as light-emitting devices,lasing, and bioimaging. One important next step to advance their applicabilityis to reduce particle-to-particle variations of the emission propertiesas well as fluctuations of a single QD's emission spectrum,also known as spectral diffusion (SD). Characterizing SD is typicallyinefficient as it requires time-consuming measurements at the single-particlelevel. Here, however, we demonstrate multiparticle spectroscopy (MPS)as a high-throughput method to acquire statistically relevant informationabout both fluctuations at the single-particle level and variationsat the level of a synthesis batch. In MPS, we simultaneously measureemission spectra of many (20-100) QDs with a high time resolution.We obtain statistics on single-particle emission line broadening fora batch of traditional CdSe-based core-shell QDs and a batchof the less toxic InP-based core-shell QDs. The CdSe-basedQDs show significantly narrower homogeneous line widths, less SD,and less inhomogeneous broadening than the InP-based QDs. The timescales of SD are longer in the InP-based QDs than in the CdSe-basedQDs. Based on the distributions and correlations in single-particleproperties, we discuss the possible origins of line-width broadeningof the two types of QDs. Our experiments pave the way to large-scale,high-throughput characterization of single-QD emission propertiesand will ultimately contribute to facilitating rational design offuture QD structures.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 7
Times cited: 1
DOI: 10.1021/ACSPHOTONICS.3C00420
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“High-Throughput Morphological Chirality Quantification of Twisted and Wrinkled Gold Nanorods”. Vlasov E, Heyvaert W, Ni B, Van Gordon K, Girod R, Verbeeck J, Liz-Marzán LM, Bals S, ACS Nano (2024). http://doi.org/10.1021/acsnano.4c02757
Abstract: Chirality in gold nanostructures offers an exciting opportunity to tune their differential optical response to left- and right-handed circularly polarized light, as well as their interactions with biomolecules and living matter. However, tuning and understanding such interactions demands quantification of the structural features that are responsible for the chiral behavior. Electron tomography (ET) enables structural characterization at the single-particle level and has been used to quantify the helicity of complex chiral nanorods. However, the technique is time-consuming and consequently lacks statistical value. To address this issue, we introduce herein a high-throughput methodology that combines images acquired by secondary electron-based electron beam-induced current (SEEBIC) with quantitative image analysis. As a result, the geometric chirality of hundreds of nanoparticles can be quantified in less than 1 h. When combining the drastic gain in data collection efficiency of SEEBIC with a limited number of ET data sets, a better understanding of how the chiral structure of individual chiral nanoparticles translates into the ensemble chiroptical response can be reached.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Impact Factor: 17.1
DOI: 10.1021/acsnano.4c02757
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“High-Yield Seeded Growth of Monodisperse Pentatwinned Gold Nanoparticles through Thermally Induced Seed Twinning”. Sánchez-Iglesias A, Winckelmans N, Altantzis T, Bals S, Grzelczak M, Liz-Marzán LM, Journal of the American Chemical Society 139, 107 (2016). http://doi.org/10.1021/jacs.6b12143
Abstract: We show here that thermal treatment of small seeds results in extensive twinning and a subsequent drastic yield improvement (>85%) in the formation of pentatwinned nanoparticles, with pre-selected morphology (nanorods, bipyramids and decahedra) and aspect ratio. The “quality” of the seeds thus defines the yield of the obtained nanoparticles, which in the case of nanorods avoids the need for additives such as Ag+ ions. This modified seeded growth method also improves reproducibility, as the seeds can be stored for extended periods of time without compromising the quality of the final nanoparticles. Additionally, minor modification of the seeds with Pd allows their localization within the final particles, which opens new avenues toward mechanistic studies. All together, these results represent a paradigm shift in anisotropic gold nanoparticle synthesis.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 13.858
Times cited: 267
DOI: 10.1021/jacs.6b12143
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“High-TCInterfacial Ferromagnetism in SrMnO3/LaMnO3Superlattices”. Keunecke M, Lyzwa F, Schwarzbach D, Roddatis V, Gauquelin N, Müller-Caspary K, Verbeeck J, Callori SJ, Klose F, Jungbauer M, Moshnyaga V, Advanced functional materials , 1808270 (2019). http://doi.org/10.1002/adfm.201808270
Abstract: Heterostructures of strongly correlated oxides demonstrate various intriguing and potentially useful interfacial phenomena. LaMnO3/SrMnO3 superlattices are presented showcasing a new high‐temperature ferromagnetic phase with Curie temperature, TC ≈360 K, caused by electron transfer from the surface of the LaMnO3 donor layer into the neighboring SrMnO3 acceptor layer. As a result, the SrMnO3 (top)/LaMnO3 (bottom) interface shows an enhancement of the magnetization as depth‐profiled by polarized neutron reflectometry. The length scale of charge transfer, λTF ≈2 unit cells, is obtained from in situ growth monitoring by optical ellipsometry, supported by optical simulations, and further confirmed by high resolution electron microscopy and spectroscopy. A model of the inhomogeneous distribution of electron density in LaMnO3/SrMnO3 layers along the growth direction is concluded to account for a complex interplay between ferromagnetic and antiferromagnetic layers in superlattices.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 15.621
Times cited: 26
DOI: 10.1002/adfm.201808270
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