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“Composition of aerosols over the Laptev, the Kara, the Barents, the Greenland and the Norwegian seas”. Shevchenko VP, Lisitzin AP, Kuptzov VM, Ivanov GI, Lukashin VN, Martin JM, Rusakov VY, Safarova SA, Serova VV, Van Grieken R, van Malderen H page 7 (1995).
Keywords: H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“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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“Determination of Dynamically Stable Electrenes toward Ultrafast Charging Battery Applications”. Kocabas T, Ozden A, Demiroglu I, Cakir D, Sevik C, The journal of physical chemistry letters 9, 4267 (2018). http://doi.org/10.1021/ACS.JPCLETT.8B01468
Abstract: Electrenes, an atomically thin form of layered electrides, are very recent members of the 2D materials family. In this work, we employed first principle calculations to determine stable, exfoliatable, and application-promising 2D electrene materials among possible M2X compounds, where M is a group II-A metal and X is a nonmetal element (C, N, P, As, and Sb). The promise of stable electrene compounds for battery applications is assessed via their exfoliation energy, adsorption properties, and migration energy barriers toward relevant Li, Na, K, and Ca atoms. Our calculations revealed five new stable electrene candidates in addition to previously known Ca2N and Sr2N. Among these seven dynamically stable electrenes, Ba2As, Ba2P, Ba2Sb, Ca2N, Sr2N, and Sr2P are found to be very promising for either K or Na ion batteries due to their extremely low migration energy barriers (5-16 meV), which roughly demonstrates 105 times higher mobility than graphene and two to four times higher mobility than other promising 2D materials such as MXene (Mo2C).
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1021/ACS.JPCLETT.8B01468
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“Determination of fluorine in uranium oxyfluoride particles as an indicator of particle age”. Kips R, Pidduck AJ, Houlton MR, Leenaers A, Mace JD, Marie O, Pointurier F, Stefaniak EA, Taylor PDP, van den Berghe S, van Espen P, Van Grieken R, Wellum R, Spectrochimica acta: part B : atomic spectroscopy 64, 199 (2009). http://doi.org/10.1016/J.SAB.2008.12.001
Abstract: As swipe samples from enrichment activities typically contain uranium particles with a detectable amount of fluorine, the question was raised whether the analysis of fluorine in particles could complement the information on the uranium isotope ratios. For this, uranium oxyfluoride particles were prepared from the controlled hydrolysis of uranium hexafluoride (UF6). The relative amount of fluorine was characterized by scanning electron microscopy combined with energy-dispersive X-ray spectrometry (SEM-EDX), as well as ion-microprobe secondary ion mass spectrometry (IM-SIMS). Of particular interest was the assessment of the reduction of the amount of fluorine over time, and after exposure to UV-light and high temperatures. Micro-Raman spectrometry (MRS) was applied to look for differences in molecular structure between these various sample types. Both SEM-EDX and IM-SIMS showed a general reduction of the fluorine-to-uranium ratio after 12 years of storage. The exposure to UV-light and high temperatures was found to have accelerated the loss of fluorine. A distinct peak at 865 cm− 1 Raman shift was detected for the majority of particles analyzed by MRS. For the particles that were heat-treated, the Raman spectra were similar to the spectrum of U3O8. Although often large variations were observed between particles from the same sample, the three particle measurement techniques (IM-SIMS, SEM-EDX and MRS) showed some consistent trends. They therefore appear promising in terms of the ability to place bounds on particle age, as well as shedding light on the complex processes involved in UO2F2 particle ageing.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
DOI: 10.1016/J.SAB.2008.12.001
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“Drinking waste? An exploration of public support for wastewater reuse in Flanders”. Geerts R, Vandermoere F, Halet D, Joos P, Van Den Steen K, Van Meenen E, Blust R, Van Winckel T, Vlaeminck S, (2020)
Keywords: P3 Proceeding; Sociology; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Centre for Research on Environmental and Social Change
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“Embedded ion exchange beads as standards for laser microprobe mass analysis of biological specimens”. Verbueken AH, Van Grieken RE, Paulus GJ, De Bruijn WC, Analytical chemistry 56, 1362 (1984). http://doi.org/10.1021/AC00272A036
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1021/AC00272A036
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“Fast analysis of decabrominated diphenyl ether using low-pressure gas chromatography.electron-capture negative ionization mass spectrometry”. Dirtu AC, Ravindra K, Roosens L, Van Grieken R, Neels H, Blust R, Covaci A, Journal of chromatography : A 1186, 295 (2008). http://doi.org/10.1016/J.CHROMA.2007.07.034
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Toxicological Centre
DOI: 10.1016/J.CHROMA.2007.07.034
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“Gross alpha and beta activities of airborne particulate samples from Wawel Royal Castle Museum in Cracow, Poland”. Akbulut S, Krupinska B, Worobiec A, Čevik U, Taskin H, Van Grieken R, Samek L, Wiłkojć, E, Journal of radioanalytical and nuclear chemistry 295, 1567 (2013). http://doi.org/10.1007/S10967-012-1983-8
Abstract: Soils are complex mixtures of organic, inorganic materials, and metal compounds from anthropogenic sources. In order to identify the pollution sources, their magnitude and development, several X-ray analytical methods were applied in this study. The concentrations of 16 elements were determined in all the soil samples using energy dispersive X-ray fluorescence spectrometry. Soils of unknown origin were observed by scanning electron microscopy equipped with a Si(Li) X-ray detector using Monte Carlo simulation approach. The mineralogical analyses were carried out using X-ray diffraction spectrometry. Due to the correlations between heavy metals and oxide compounds, the samples were analyzed also by electron probe microanalyzer (EPMA) in order to have information about their oxide contents. On the other hand, soil pH and salinity levels were identified owing to their influence between heavy metal and soil-surface chemistry. Moreover, the geoaccumulation index (I geo) enables the assessment of contamination by comparing current and pre-industrial concentrations.
Keywords: A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1007/S10967-012-1983-8
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“Identification of heavy metal origins related to chemical and morphological soil properties using several non-destructive X-ray analytical methods”. Akbulut S, Van Grieken R, Kilic MA, Čevik U, Rotondo GG, Environmental monitoring and assessment 185, 2377 (2013). http://doi.org/10.1007/S10661-012-2718-6
Abstract: Soils are complex mixtures of organic, inorganic materials, and metal compounds from anthropogenic sources. In order to identify the pollution sources, their magnitude and development, several X-ray analytical methods were applied in this study. The concentrations of 16 elements were determined in all the soil samples using energy dispersive X-ray fluorescence spectrometry. Soils of unknown origin were observed by scanning electron microscopy equipped with a Si(Li) X-ray detector using Monte Carlo simulation approach. The mineralogical analyses were carried out using X-ray diffraction spectrometry. Due to the correlations between heavy metals and oxide compounds, the samples were analyzed also by electron probe microanalyzer (EPMA) in order to have information about their oxide contents. On the other hand, soil pH and salinity levels were identified owing to their influence between heavy metal and soil-surface chemistry. Moreover, the geoaccumulation index (I geo) enables the assessment of contamination by comparing current and pre-industrial concentrations.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/S10661-012-2718-6
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“LAMMA : calibration and application to nephrotoxicology studies”. Verbueken A, Paulus G, Van de Vyver F, Verpooten G, de Broe M, Van Grieken R, (1983)
Keywords: P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“LAMMA in nephrotoxicity studies”. Verbueken AH, Paulus GJ, Van de Vyver FL, Verpooten GA, Visser WJ, de Broe ME, Van Grieken RE, (1984)
Keywords: P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Laser microprobe mass analysis (LAMMA) in nephrological investigations”. Verbueken AH, Van de Vyver FL, Paulus GJ, Visser WJ, Verpooten GA, de Broe ME, Van Grieken RE page 375 (1984).
Keywords: H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Laser microprobe mass spectrometry of platinum in dog kidney after cisplatin adminstration”. Verbueken AH, Van Grieken RE, Paulus GJ, Verpooten GA, de Broe ME, Biomedical mass spectrometry 11, 159 (1984). http://doi.org/10.1002/BMS.1200110404
Abstract: By means of laser microprobe mass analysis (LAMMA) platinum was detected in the renal proximal tubular cells of a dog that had been intravenously adminstered the antitumor drug cisplatin (5 mg per kg body weight). No definite subcellular localization of the heavy metal was obtained. Sample prparation and analytical features are examined to increase spatial resolution of analysis while maintaining sufficient detection efficiency. The LAMMA method is destructive, but the amount and type of evaporated material can readily be determined when using LAMMA in combination with transmission electron microscopy. Instrumental optimization and standardization of mass signals is possible by using platinum-loaded, ion chelating resin beads embedded and sectioned with the tissue.
Keywords: A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1002/BMS.1200110404
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“Long-Term Stability Control of CVD-Grown Monolayer MoS2”. Sar H, Ozden A, Demiroglu I, Sevik C, Perkgoz NK, Ay F, Physica status solidi: rapid research letters 13, 1800687 (2019). http://doi.org/10.1002/PSSR.201800687
Abstract: The structural stability of 2D transition metal dichalcogenide (TMD) formations is of particular importance for their reliable device performance in nano-electronics and opto-electronics. Recent observations show that the CVD-grown TMD monolayers are likely to encounter stability problems such as cracking or fracturing when they are kept under ambient conditions. Here, two different growth configurations are investigated and a favorable growth geometry is proposed, which also sheds light onto the growth mechanism and provides a solution for the stability and fracture formation issues for TMDs specifically for MoS2 monolayers. It is shown that 18 months naturally and thermally aged MoS2 monolayer flakes grown using specifically developed conditions, retain their stability. To understand the mechanism of the structural deterioration, two possible effective mechanisms, S vacancy defects and growth-induced tensile stress, are assessed by the first principle calculations where the role of S vacancy defects in obtaining oxidation resistant MoS2 monolayer flakes is revealed to be rather more critical. Hence, these simulations, time-dependent observations and thermal aging experiments show that durability and stability of 2D MoS2 flakes can be controlled by CVD growth configuration.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1002/PSSR.201800687
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“Mapping of toxic vapours on board of tankers”. Jacobs W, Floren E, Luyckx D, Bueken P, van Beeck J, Van Grieken R, (2011)
Keywords: P3 Proceeding; Economics; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Nitrogen cycling in bioregenerative life support systems : challenges for waste refinery and food production processes”. Clauwaert P, Muys M, Alloul A, De Paepe J, Luther A, Sun X, Ilgrande C, Christiaens MER, Hu X, Zhang D, Lindeboom REF, Sas B, Rabaey K, Boon N, Ronsse F, Geelen D, Vlaeminck SE, Progress in aerospace sciences 91, 87 (2017). http://doi.org/10.1016/J.PAEROSCI.2017.04.002
Abstract: In order to sustain human life in an isolated environment, an efficient conversion of wasted nutrients to food might become mandatory. This is particularly the case for space missions where resupply from earth or in-situ resource utilization is not possible or desirable. A combination of different technologies is needed to allow full recycling of e.g. nitrogenous compounds in space. In this review, an overview is given of the different essential processes and technologies that enable closure of the nitrogen cycle in Bioregenerative Life Support Systems (BLSS). Firstly, a set of biological and physicochemical refinery stages ensures efficient conversion of waste products into the building blocks, followed by the production of food with a range of biological methods. For each technology, bottlenecks are identified. Furthermore, challenges and outlooks are presented at the integrated system level. Space adaptation and integration deserve key attention to enable the recovery of nitrogen for the production of nutritional food in space, but also in closed loop systems on earth.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.PAEROSCI.2017.04.002
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“On the electrostatic control achieved in transistors based on multilayered MoS2 : a first-principles study”. Lu AKA, Pourtois G, Luisier M, Radu IP, Houssa M, Journal of applied physics 121, 044505 (2017). http://doi.org/10.1063/1.4974960
Abstract: In this work, the electrostatic control in metal-oxide-semiconductor field-effect transistors based on MoS2 is studied, with respect to the number of MoS2 layers in the channel and to the equivalent oxide thickness of the gate dielectric, using first-principles calculations combined with a quantum transport formalism. Our simulations show that a compromise exists between the drive current and the electrostatic control on the channel. When increasing the number of MoS2 layers, a degradation of the device performances in terms of subthreshold swing and OFF currents arises due to the screening of the MoS2 layers constituting the transistor channel. Published by AIP Publishing.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
DOI: 10.1063/1.4974960
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“Polarized-beam high-energy EDXRF in geological samples”. Čevik U, Akbulut S, Makarovska Y, Van Grieken R, Spectroscopy letters 46, 36 (2013). http://doi.org/10.1080/00387010.2012.661015
Abstract: Certified reference materials (NIST 1645, BCR 143, IAEA 7, BCR 141, NIESCRM02, and IAEA 375) were used for determining the performance of a secondary target energy-dispersive X-ray fluorescence (EDXRF) spectrometer, Epsilon 5 (PANalytical, Almelo, the Netherlands). For the evaluation of the EDXRF spectra with polarized-beam high-energy excitation, the WinAxil software package has been applied. The results showed that Epsilon 5, EDXRF spectrometry is favorable for the determination of elemental concentrations in geological samples, but the sample preparation has the largest influence on the precision. However, they presented good agreement with certified values for most of the elements.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1080/00387010.2012.661015
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“Role of the carbon support on the oxygen reduction and evolution activities in LaNiO3 composite electrodes in alkaline solution”. Alexander CT, Abakumov AM, Forslund RP, Johnston KP, Stevenson KJ, ACS applied energy materials 1, 1549 (2018). http://doi.org/10.1021/ACSAEM.7B00339
Abstract: Metal-air batteries and fuel cells show a great deal of promise in advancing low-cost, high-energy-density charge storage solutions for sustainable energy applications. To improve the activities and stabilities of electrocatalysts for the critical oxygen reduction and evolution reactions (ORR and OER, respectively), a greater understanding is needed of the catalyst/carbon interactions and carbon stability. Herein, we report how LaNiO3 (LNO) supported on nitrogen-doped carbon nanotubes (N-CNT) made from a high-yield synthesis lowers the overpotential for both the OER and ORR markedly to enable a low bifunctional window of 0.81 V at only a 51 mu g cm(-2) mass loading. Furthermore, the addition of LNO to the N-CNTs improves the galvanostatic stability for the OER by almost 2 orders of magnitude. The nanoscale geometries of the perovskites and the CNTs enhance the number of metal-support and charge transfer interactions and thus the activity. We use rotating ring disk electrodes (RRDEs) combined with Tafel slope analysis and ICP-OES to quantitatively separate current contributions from the OER, carbon oxidation, and even anodic iron leaching from carbon nanotubes.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.1021/ACSAEM.7B00339
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“Spectrometric determination of silicon in food and biological samples: an interlaboratory trial”. van Dyck K, Robberecht H, van Cauwenbergh R, Deelstra H, Arnaud J, Willemyns L, Benijts F, Centeno JA, Taylor H, Soares ME, Bastos ML, Ferreira MA, d'Haese PC, Lamberts LV, Hoenig M, Knapp G, Lugowski SJ, Moens L, Riondato J, Van Grieken R, Claes M, Verheyen R, Clement L, Uytterhoeven M, Journal of analytical atomic spectrometry 15, 735 (2000). http://doi.org/10.1039/B000572J
Abstract: Accuracy and precision of silicon determination in biological matrices (serum, urine, water, beer and spinach) by spectrometric techniques (when necessary after acid destruction) were assessed by means of a collaborative interlaboratory trial. The trial was set up in accordance with ISO 5725-2 (1994). The relative overall repeatability standard deviation was acceptable. It varied between 4% for spinach powder (mean content: 176 mg kg(-1)) and 11% for serum (mean content: 5.33 mg L-1). On the other hand, the relative overall between-laboratory standard deviation was found to vary from a satisfactorily 15% for spinach after destruction (mean content: 3.32 mg L-1) to an unacceptable 107% for spinach powder (mean content: 176 mg kg(-1)). The overall conclusion of the trial was that silicon determination in biological matrices can properly be performed by spectrometric techniques. However, when sample pretreatment (i.e., acid destruction) is needed prior to silicon determination problems still remain.
Keywords: A1 Journal article; Behavioural Ecology & Ecophysiology; Pathophysiology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1039/B000572J
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“Temperature-dependent phonon spectrum of transition metal dichalcogenides calculated from the spectral energy density: Lattice thermal conductivity as an application”. Mobaraki A, Sevik C, Yapicioglu H, Cakir D, Gulseren O, Physical review B 100, 035402 (2019). http://doi.org/10.1103/PHYSREVB.100.035402
Abstract: Predicting the mechanical and thermal properties of quasi-two-dimensional (2D) transition metal dichalco-genides (TMDs) is an essential task necessary for their implementation in device applications. Although rigorous density-functional-theory-based calculations are able to predict mechanical and electronic properties, mostly they are limited to zero temperature. Classical molecular dynamics facilitates the investigation of temperature-dependent properties, but its performance highly depends on the potential used for defining interactions between the atoms. In this study, we calculated temperature-dependent phonon properties of single-layer TMDs, namely, MoS2, MoSe2, WS2, and WSe2, by utilizing Stillinger-Weber-type potentials with optimized sets of parameters with respect to the first-principles results. The phonon lifetimes and contribution of each phonon mode in thermal conductivities in these monolayer crystals are systematically investigated by means of the spectralenergy-density method based on molecular dynamics simulations. The obtained results from this approach are in good agreement with previously available results from the Green-Kubo method. Moreover, detailed analysis of lattice thermal conductivity, including temperature-dependent mode decomposition through the entire Brillouin zone, shed more light on the thermal properties of these 2D crystals. The LA and TA acoustic branches contribute most to the lattice thermal conductivity, while ZA mode contribution is less because of the quadratic dispersion around the Brillouin zone center, particularly in MoSe2 due to the phonon anharmonicity, evident from the redshift, especially in optical modes, by increasing temperature. For all the considered 2D crystals, the phonon lifetime values are compelled by transition metal atoms, whereas the group velocity spectrum is dictated by chalcogen atoms. Overall, the lattice thermal conductivity is linearly proportional with inverse temperature.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1103/PHYSREVB.100.035402
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“The contribution of microbial biotechnology to sustainable development goals”. Timmis K, de Vos WM, Luis Ramos J, Vlaeminck SE, Prieto A, Danchin A, Verstraete W, de Lorenzo V, Lee SY, Brussow H, Timmis JK, Singh BK, Microbial biotechnology 10, 984 (2017). http://doi.org/10.1111/1751-7915.12818
Keywords: Editorial; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1111/1751-7915.12818
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“Ultrastructural localization of aluminum in patients with dialysis-associated osteomalacia”. Verbueken AH, van de Vijver FL, Van Grieken RE, Paulus GJ, Visser WJ, d'Haese P, de Broe ME, Clinical chemistry : international journal of laboratory medicine and molecular diagnostics 30, 763 (1984)
Abstract: Using laser microprobe mass analysis, we studied the ultrastructural localization of aluminum in liver and bone tissue of chronic-hemodialysis patients with proven aluminum-induced osteomalacia. In the liver, aluminum was observed to be almost exclusively associated with iron. Detectable aluminum and large amounts of iron were found in lysosomes of both hepatocytes and Kupffer cells. In bone, aluminum was localized at the osteoid/calcified-bone interface and also was associated with iron in some cases.
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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“Validation of inter-atomic potential for WS2 and WSe2 crystals through assessment of thermal transport properties”. Mobaraki A, Kandemir A, Yapicioglu H, Gulseren O, Sevik C, Computational materials science 144, 92 (2018). http://doi.org/10.1016/J.COMMATSCI.2017.12.005
Abstract: In recent years, transition metal dichalcogenides (TMDs) displaying astonishing properties are emerged as a new class of two-dimensional layered materials. The understanding and characterization of thermal transport in these materials are crucial for efficient engineering of 2D TMD materials for applications such as thermoelectric devices or overcoming general overheating issues. In this work, we obtain accurate Stillinger-Weber type empirical potential parameter sets for single-layer WS2 and WSe2 crystals by utilizing particle swarm optimization, a stochastic search algorithm. For both systems, our results are quite consistent with first-principles calculations in terms of bond distances, lattice parameters, elastic constants and vibrational properties. Using the generated potentials, we investigate the effect of temperature on phonon energies and phonon linewidth by employing spectral energy density analysis. We compare the calculated frequency shift with respect to temperature with corresponding experimental data, clearly demonstrating the accuracy of the generated inter-atomic potentials in this study. Also, we evaluate the lattice thermal conductivities of these materials by means of classical molecular dynamics simulations. The predicted thermal properties are in very good agreement with the ones calculated from first-principles. (C) 2017 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1016/J.COMMATSCI.2017.12.005
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“Strain tunable interlayer and intralayer excitons in vertically stacked MoSe₂/WSe₂, heterobilayers”. Li LL, Gillen R, Palummo M, Milošević, MV, Peeters FM, Applied physics letters 123, 033102 (2023). http://doi.org/10.1063/5.0147761
Abstract: Recently, interlayer and intralayer excitons in transition metal dichalcogenide heterobilayers have been studied both experimentally and theoretically. In spite of a growing interest, these layer-resolved excitons in the presence of external stimuli, such as strain, remain not fully understood. Here, using density-functional theory calculations with many-body effects, we explore the excitonic properties of vertically stacked MoSe2/WSe2 heterobilayer in the presence of in-plane biaxial strain of up to 5%. We calculate the strain dependence of exciton absorption spectrum, oscillator strength, wave function, and binding energy by solving the Bethe-Salpeter equation on top of the standard GW approach. We identify the interlayer and intralayer excitons by analyzing their electron-hole weights and spatial wave functions. We show that with the increase in strain magnitude, the absorption spectrum of the interlayer and intralayer excitons is red-shifted and re-ordered, and the binding energies of these layer-resolved excitons decrease monotonically and almost linearly. We derive the sensitivity of exciton binding energy to the applied strain and find that the intralayer excitons are more sensitive to strain than the interlayer excitons. For instance, a sensitivity of -7.9 meV/% is derived for the intra-MoSe2-layer excitons, which is followed by -7.4 meV/% for the intra-WSe2-layer excitons, and by -4.2 meV/% for the interlayer excitons. Our results indicate that interlayer and intralayer excitons in vertically stacked MoSe2/WSe2 heterobilayer are efficiently tunable by in-plane biaxial strain.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 4
Times cited: 2
DOI: 10.1063/5.0147761
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“A core-shell confined Pd@TS-1 @meso-SiO2 catalyst and its synergy effect on styrene oxidation”. Wang Y-T, Wu S-M, Luo G-Q, Tian G, Wang L-Y, Xiao S-T, Wu J-X, Wu A, Wu K-J, Lenaerts S, Yang X-Y, Applied catalysis : A : general 650, 119016 (2023). http://doi.org/10.1016/J.APCATA.2022.119016
Abstract: Dual active sites from acidic zeolite and Pd are not only capable of catalyzing multiple type of reactions, but could also generate unique functions owing to the synergy between metals and acidic sites. However, there are only a few reports on the investigation of the synergy of acid/Pd dual sites in TS-1. Herein, TS-1 confined Pd catalyst with mesoporous silica shell (Pd@TS-1 @meso-SiO2) has been successfully synthesized and its synergy effect contributes to the enhanced conversion rate (19.2%) and selectivity (74.7%) on styrene oxidation. The interaction between Pd and TS-1 has been investigated by EPR and 1H NMR techniques, the experimental measurements show an obvious change in the signal distribution of weakly acidic terminal hydroxyls and hydrogen-bonding silanols. The schematic illustration of selective styrene oxidation in the model of Pd@TS-1 @meso-SiO2 is proposed to clarify the synergistic effect on styrene oxidation between TS-1 and Pd nanoparticles at an atomic-/nanoscale.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 5.5
DOI: 10.1016/J.APCATA.2022.119016
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“Charging of vitreous samples in cryogenic electron microscopy mitigated by graphene”. Zhang Y, van Schayck JP, Pedrazo-Tardajos A, Claes N, Noteborn WEM, Lu P-H, Duimel H, Dunin-Borkowski RE, Bals S, Peters PJ, Ravelli RBG, ACS nano 17, 15836 (2023). http://doi.org/10.1021/ACSNANO.3C03722
Abstract: Cryogenic electronmicroscopy can provide high-resolution reconstructionsof macromolecules embedded in a thin layer of ice from which atomicmodels can be built de novo. However, the interactionbetween the ionizing electron beam and the sample results in beam-inducedmotion and image distortion, which limit the attainable resolutions.Sample charging is one contributing factor of beam-induced motionsand image distortions, which is normally alleviated by including partof the supporting conducting film within the beam-exposed region.However, routine data collection schemes avoid strategies wherebythe beam is not in contact with the supporting film, whose rationaleis not fully understood. Here we characterize electrostatic chargingof vitreous samples, both in imaging and in diffraction mode. We mitigatesample charging by depositing a single layer of conductive grapheneon top of regular EM grids. We obtained high-resolution single-particleanalysis (SPA) reconstructions at 2 & ANGS; when the electron beamonly irradiates the middle of the hole on graphene-coated grids, usingdata collection schemes that previously failed to produce sub 3 & ANGS;reconstructions without the graphene layer. We also observe that theSPA data obtained with the graphene-coated grids exhibit a higher b factor and reduced particle movement compared to dataobtained without the graphene layer. This mitigation of charging couldhave broad implications for various EM techniques, including SPA andcryotomography, and for the study of radiation damage and the developmentof future sample carriers. Furthermore, it may facilitate the explorationof more dose-efficient, scanning transmission EM based SPA techniques.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 17.1
DOI: 10.1021/ACSNANO.3C03722
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“Roadmap on structured waves”. Bliokh KY, Karimi E, Padgett MJ, Alonso MA, Dennis MR, Dudley A, Forbes A, Zahedpour S, Hancock SW, Milchberg HM, Rotter S, Nori F, Ozdemir SK, Bender N, Cao H, Corkum PB, Hernandez-Garcia C, Ren H, Kivshar Y, Silveirinha MG, Engheta N, Rauschenbeutel A, Schneeweiss P, Volz J, Leykam D, Smirnova DA, Rong K, Wang B, Hasman E, Picardi MF, Zayats AV, Rodriguez-Fortuno FJ, Yang C, Ren J, Khanikaev AB, Alu A, Brasselet E, Shats M, Verbeeck J, Schattschneider P, Sarenac D, Cory DG, Pushin DA, Birk M, Gorlach A, Kaminer I, Cardano F, Marrucci L, Krenn M, Marquardt F, Journal of optics 25, 103001 (2023). http://doi.org/10.1088/2040-8986/ACEA92
Abstract: Structured waves are ubiquitous for all areas of wave physics, both classical and quantum, where the wavefields are inhomogeneous and cannot be approximated by a single plane wave. Even the interference of two plane waves, or of a single inhomogeneous (evanescent) wave, provides a number of nontrivial phenomena and additional functionalities as compared to a single plane wave. Complex wavefields with inhomogeneities in the amplitude, phase, and polarization, including topological----- structures and singularities, underpin modern nanooptics and photonics, yet they are equally important, e.g. for quantum matter waves, acoustics, water waves, etc. Structured waves are crucial in optical and electron microscopy, wave propagation and scattering, imaging, communications, quantum optics, topological and non-Hermitian wave systems, quantum condensed-matter systems, optomechanics, plasmonics and metamaterials, optical and acoustic manipulation, and so forth. This Roadmap is written collectively by prominent researchers and aims to survey the role of structured waves in various areas of wave physics. Providing background, current research, and anticipating future developments, it will be of interest to a wide cross-disciplinary audience.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.1
Times cited: 7
DOI: 10.1088/2040-8986/ACEA92
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“Strain-Induced Exciton Hybridization in WS2 Monolayers Unveiled by Zeeman-Splitting Measurements”. Blundo E, Faria PE Jr, Surrente A, Pettinari G, Prosnikov MA, Olkowska-Pucko K, Zollner K, Wozniak T, Chaves A, Kazimierczuk T, Felici M, Babinski A, Molas MR, Christianen PCM, Fabian J, Polimeni A, Physical review letters 129, 067402 (2022). http://doi.org/10.1103/PHYSREVLETT.129.067402
Abstract: Mechanical deformations and ensuing strain are routinely exploited to tune the band gap energy and to enhance the functionalities of two-dimensional crystals. In this Letter, we show that strain leads also to a strong modification of the exciton magnetic moment in WS2 monolayers. Zeeman-splitting measurements under magnetic fields up to 28.5 T were performed on single, one-layer-thick WS2 microbubbles. The strain of the bubbles causes a hybridization of k-space direct and indirect excitons resulting in a sizable decrease in the modulus of they factor of the ground-state exciton. These findings indicate that strain may have major effects on the way the valley number of excitons can be used to process binary information in two-dimensional crystals.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
DOI: 10.1103/PHYSREVLETT.129.067402
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“Thermoelectric properties and scattering mechanisms in natural PbS”. Zuniga-Puelles E, Levytskyi V, Özden A, Guerel T, Bulut N, Himcinschi C, Sevik C, Kortus J, Gumeniuk R, Physical review B 107, 195203 (2023). http://doi.org/10.1103/PHYSREVB.107.195203
Abstract: X-ray diffraction and energy dispersive x-ray spectroscopic analyses showed a natural galena (PbS) crystal from Freiberg in Saxony (Germany) to be a single phase specimen [rock salt (NaCl) structure type, space group Fm3m, a = 5.932(1) angstrom] with stoichiometric composition and an enhanced dislocation density (8 approximate to 1011 cm-2). The latter parameter leads to an increase of the electrical resistivity in the high-temperature regime, as well as to the appearance of phonon resonance with a characteristic frequency coPR = 3.8(1) THz. Being in the same range (i.e., 3-5.5 THz) with the sulfur optical modes of highest group velocities, it results in a drastic reduction (by similar to 75%) of thermal conductivity (K) at lower temperatures (i.e., < 100 K), as well as in the appearance of a characteristic minimum in K at T approximate to 30 K. Furthermore, the studied galena is characterized by phonon-drag behavior and by temperature dependent switch of the charge carrier scattering mechanism regime (i.e., scattering on dislocations for T < 100 K, on acoustic phonons for 100 K < T < 170 K and on both acoustic and optical phonons for 170 K < T < 300 K). The combined theoretical calculation and optical spectroscopic study confirm this mineral to be a direct gap degenerate semiconductor. The possible origins of the second-order Raman spectrum are discussed.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
DOI: 10.1103/PHYSREVB.107.195203
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