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“The influence of surface functionalization on thermal transport and thermoelectric properties of MXene monolayers”. Sarikurt S, Çakir D, Keceli M, Sevik C, Nanoscale 10, 8859 (2018). http://doi.org/10.1039/C7NR09144C
Abstract: The newest members of a two-dimensional material family, involving transition metal carbides and nitrides (called MXenes), have garnered increasing attention due to their tunable electronic and thermal properties depending on the chemical composition and functionalization. This flexibility can be exploited to fabricate efficient electrochemical energy storage (batteries) and energy conversion (thermoelectric) devices. In this study, we calculated the Seebeck coefficients and lattice thermal conductivity values of oxygen terminated M2CO2 (where M = Ti, Zr, Hf, Sc) monolayer MXene crystals in two different functionalization configurations (model-II (MD-II) and model-III (MD-III)), using density functional theory and Boltzmann transport theory. We estimated the thermoelectric figure-of-merit, zT, of these materials by two different approaches, as well. First of all, we found that the structural model (i.e. adsorption site of oxygen atom on the surface of MXene) has a paramount impact on the electronic and thermoelectric properties of MXene crystals, which can be exploited to engineer the thermoelectric properties of these materials. The lattice thermal conductivity kappa(l), Seebeck coefficient and zT values may vary by 40% depending on the structural model. The MD-III configuration always has the larger band gap, Seebeck coefficient and zT, and smaller kappa(l) as compared to the MD-II structure due to a larger band gap, highly flat valence band and reduced crystal symmetry in the former. The MD-III configuration of Ti2CO2 and Zr2CO2 has the lowest kappa(l) as compared to the same configuration of Hf2CO2 and Sc2CO2. Among all the considered structures, the MD-II configuration of Hf2CO2 has the highest kappa(l), and Ti2CO2 and Zr2CO2 in the MD-III configuration have the lowest kappa(l). For instance, while the band gap of the MD-II configuration of Ti2CO2 is 0.26 eV, it becomes 0.69 eV in MD-III. The zT(max) value may reach up to 1.1 depending on the structural model of MXene.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
DOI: 10.1039/C7NR09144C
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“The peculiar potential of transition metal dichalcogenides for thermoelectric applications : a perspective on future computational research”. Sargin GO, Sarikurt S, Sevincli H, Sevik C, Journal of applied physics 133, 150902 (2023). http://doi.org/10.1063/5.0130350
Abstract: The peculiar potential transition metal dichalcogenides in regard to sensor and device applications have been exhibited by both experimental and theoretical studies. The use of these materials, thermodynamically stable even at elevated temperatures, particularly in nano- and optoelectronic technology, is about to come true. On the other hand, the distinct electronic and thermal transport properties possessing unique coherency, which may result in higher thermoelectric efficiency, have also been reported. However, exploiting this potential in terms of power generation and cooling applications requires a deeper understanding of these materials in this regard. This perspective study, concentrated with this intention, summarizes thermoelectric research based on transition metal dichalcogenides from a broad perspective and also provides a general evaluation of future theoretical investigations inevitable to shed more light on the physics of electronic and thermal transport in these materials and to lead future experimental research.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.2
DOI: 10.1063/5.0130350
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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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“Silicon and germanium adamantane and diamantane monolayers as two-dimensional anisotropic direct-gap semiconductors”. Santos-Castro G, Pandey T, Bruno CHV, Santos Caetano EW, Milošević, MV, Chaves A, Freire VN, Physical review B 108, 035302 (2023). http://doi.org/10.1103/PHYSREVB.108.035302
Abstract: Structural and electronic properties of silicon and germanium monolayers with two different diamondoid crystal structures are detailed ab initio. Our results show that, despite Si and Ge being well-known indirect gap semiconductors in their bulk form, their adamantane and diamantane monolayers can exhibit optically active direct gap in the visible frequency range, with highly anisotropic effective masses, depending on the monolayer crystal structure. Moreover, we reveal that gaps in these materials are highly tunable with applied strain. These stable monolayer forms of Si and Ge are therefore expected to help bridging the gap between the fast growing area of opto-electronics in two-dimensional materials and the established silicon-based technologies.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.7
DOI: 10.1103/PHYSREVB.108.035302
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Santer R, Schadkowski C, Blanchet A, Saison J-Y, Poinsot C, Ramon D, Roekens E, Verlinden L, Van Grieken R, Stranger M, Mees J (2005) Expositions des populations vivant au cœur de l'Euro-région auz polluants atmosphériques: le cas des poussières fines = Blootstelling van de bevolkingsgroepen wonend in het hart van de Euregio aan polluerende atmosferische deeltjes: het geval van de fijne stofdeeltjes
Keywords: Minutes and reports; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Evidence of magnetostrictive effects on STT-MRAM performance by atomistic and spin modeling”. Sankaran K, Swerts J, Carpenter R, Couet S, Garello K, Evans RFL, Rao S, Kim W, Kundu S, Crotti D, Kar GS, Pourtois G, 2018 Ieee International Electron Devices Meeting (iedm) (2018)
Abstract: For the first time, we demonstrate, using an atomistic description of a 30nm diameter spin-transfer-torque magnetic random access memories (STT-MRAM), that the difference in mechanical properties of its sub-nanometer layers induces a high compressive strain in the magnetic tunnel junction (MTJ) and leads to a detrimental magnetostrictive effect. Our model explains the issues met in engineering the electrical and magnetic performances in scaled STT-MRAM devices. The resulting high compressive strain built in the stack, particularly in the MgO tunnel barrier (t-MgO), and its associated non-uniform atomic displacements, impacts on the quality of the MTJ interface and leads to strain relieve mechanisms such as surface roughness and adhesion issues. We illustrate that the strain gradient induced by the different materials and their thicknesses in the stacks has a negative impact on the tunnel magneto-resistance (TMR), on the magnetic nucleation process and on the STT-MRAM performance.
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Metallic ceramics for low resitivity interconnects : an ab initio insight”. Sankaran K, Moors K, Dutta S, Adelmann C, Tokei Z, Pourtois G, Proceedings of the IEEE ... International Interconnect Technology Conference
T2 –, IEEE International Interconnect Technology Conference (IITC), JUN 04-07, 2018, Santa Clara, CA , 160 (2018)
Abstract: The scalability potential of low resistivity ternary metallic alloys (MAX) as an interconnect medium has been benchmarked against copper through first-principle simulations. We report that some carbon and nitrogen MAX phases have the potential to display a reduced sensitivity of their intrinsic resistivity to scaling, while showing improved electromigration properties.
Keywords: P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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“Inorganic deterioration affecting the Altamira Cave, N Spain: quantitative approach to wall-corrosion (solutional etching) processes induced by visitors”. Sánchez-Moral S, Soler V, Cañaveras JC, Sanz-Rubio E, Van Grieken R, Gysels K, The science of the total environment 243/244, 67 (1999). http://doi.org/10.1016/S0048-9697(99)00348-4
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/S0048-9697(99)00348-4
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“Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator”. Sanchez-Barriga J, Aguilera I, Yashina L V, Tsukanova DY, Freyse F, Chaika AN, Callaert C, Abakumov AM, Hadermann J, Varykhalov A, Rienks EDL, Bihlmayer G, Blugel S, Rader O, Physical review B 98, 235110 (2018). http://doi.org/10.1103/PHYSREVB.98.235110
Abstract: Using spin- and angle-resolved photoemission spectroscopy and relativistic many-body calculations, we investigate the evolution of the electronic structure of (Bi1-xInx)(2)Se-3)(2)Se-3 bulk single crystals around the critical point of the trivial to topological insulator quantum-phase transition. By increasing x, we observe how a surface gap opens at the Dirac point of the initially gapless topological surface state of Bi2Se3, leading to the existence of massive fermions. The surface gap monotonically increases for a wide range of x values across the topological and trivial sides of the quantum-phase transition. By means of photon-energy-dependent measurements, we demonstrate that the gapped surface state survives the inversion of the bulk bands which occurs at a critical point near x = 0.055. The surface state exhibits a nonzero in-plane spin polarization which decays exponentially with increasing x, and which persists in both the topological and trivial insulator phases. Our calculations reveal qualitative agreement with the experimental results all across the quantum-phase transition upon the systematic variation of the spin-orbit coupling strength. A non-time-reversal symmetry-breaking mechanism of bulk-mediated scattering processes that increase with decreasing spin-orbit coupling strength is proposed as explanation.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
DOI: 10.1103/PHYSREVB.98.235110
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“Wpływ zwiedzajacych na zanieczyszczenia wnetrz muzealnych”. Samek L, Worobiec A, Van Grieken R, van Meel K, Kontozova V, Karaszkiewicz P, Wiłkojć E page 209 (2007).
Keywords: H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
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“Badanie składu powietrza w zabytkowych kościołach”. Samek L, Worobiec A, Spolnik Z, Van Grieken R, Analytika , 26 (2006)
Keywords: A3 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Studia sezonowych zmian wewnetrznego składu powietrza atmosferycznego w kościołach zabytkowych w kontekście doboru i modyfikacji metod konserwacji obiektów zabytkowych”. Samek L, Worobiec A, Spolnik Z, Van Grieken R page 59 (2005).
Keywords: H3 Book chapter; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Speciation of selected metals in aerosol samples by TXRF after sequential leaching”. Samek L, Ostachowicz B, Worobiec A, Spolnik Z, Van Grieken R, X-ray spectrometry 35, 226 (2006). http://doi.org/10.1002/XRS.905
Keywords: A1 Journal article; Laboratory Experimental Medicine and Pediatrics (LEMP); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1002/XRS.905
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“Performance of a new compact EDXRF spectrometer for aerosol analysis”. Samek L, Injuk J, van Espen P, Van Grieken R, X-ray spectrometry 31, 84 (2002). http://doi.org/10.1002/XRS.551
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Chemometrics (Mitac 3)
DOI: 10.1002/XRS.551
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“The impact of electric overhead radiant heating on the indoor environment of historic churches”. Samek L, de Maeyer-Worobiec A, Spolnik Z, Bencs L, Kontozova V, Bratasz Ł, Kozłowski R, Van Grieken R, Journal of cultural heritage 8, 361 (2007). http://doi.org/10.1016/J.CULHER.2007.03.006
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
DOI: 10.1016/J.CULHER.2007.03.006
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“Bio-nanohybrid gelatin/quantum dots for cellular imaging and biosensing applications”. Samal SK, Soenen S, Puppi D, De Wael K, Pati S, De Smedt S, Braeckmans K, Dubruel P, International journal of molecular sciences 23, 11867 (2022). http://doi.org/10.3390/IJMS231911867
Abstract: The bio-nanohybrid gelatin protein/cadmium sulfide (Gel/CdS) quantum dots (QDs) have been designed via a facile one-pot strategy. The amino acids group of gelatin chelate Cd2+ and grow CdS QDs without any agglomeration. The H-1 NMR spectra indicate that during the above process there are no alterations of the gelatin protein structure conformation and chemical functionalities. The prepared Gel/CdS QDs were characterized and their potential as a system for cellular imaging and the electrochemical sensor for hydrogen peroxide (H2O2) detection applications were investigated. The obtained results demonstrate that the developed Gel/CdS QDs system could offer a simple and convenient operating strategy both for the class of contrast agents for cell labeling and electrochemical sensors purposes.
Keywords: A1 Journal article; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
DOI: 10.3390/IJMS231911867
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Samaeeaghmiyoni V, Cordier P, Demouchy S, Bollinger C, Gasc J, Mussi A, Schryvers D, Idrissi H (2020) Research data supporting for Stress-induced amorphization triggers deformation in the lithospheric mantle
Keywords: Dataset; Electron microscopy for materials research (EMAT)
DOI: 10.5281/zenodo.3893661
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“Deciphering the interactions between single arm dislocation sources and coherent twin boundary in nickel bi-crystal”. Samaee V, Dupraz M, Pardoen T, VAn Swygenhoven H, Schryvers D, Idrissi H, Nature Communications 12, 962 (2021). http://doi.org/10.1038/S41467-021-21296-Z
Abstract: The introduction of a well-controlled population of coherent twin boundaries (CTBs) is an attractive route to improve the strength ductility product in face centered cubic (FCC) metals. However, the elementary mechanisms controlling the interaction between single arm dislocation sources (SASs), often present in nanotwinned FCC metals, and CTB are still not well understood. Here, quantitative in-situ transmission electron microscopy (TEM) observations of these mechanisms under tensile loading are performed on submicron Ni bi-crystal. We report that the absorption of curved screw dislocations at the CTB leads to the formation of constriction nodes connecting pairs of twinning dislocations at the CTB plane in agreement with large scale 3D atomistic simulations. The coordinated motion of the twinning dislocation pairs due to the presence of the nodes leads to a unique CTB sliding mechanism, which plays an important role in initiating the fracture process at a CTB ledge. TEM observations of the interactions between non-screw dislocations and the CTB highlight the importance of the synergy between the repulsive force of the CTB and the back stress from SASs when the interactions occur in small volumes. Interactions of dislocations with coherent twin boundaries contribute to strength and ductility in metals, but investigating the interaction mechanisms is challenging. Here the authors unravel these mechanisms through quantitative in-situ transmission electron microscopy observations in nickel bi-crystal samples under tensile loading.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.124
DOI: 10.1038/S41467-021-21296-Z
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Samaee V (2018) In-situ transmission electron microscopic nanomechanical investigations of Ni. 172 p
Keywords: Doctoral thesis; Electron microscopy for materials research (EMAT)
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“Stress-induced amorphization triggers deformation in the lithospheric mantle”. Samae V, Cordier P, Demouchy S, Bollinger C, Gasc J, Koizumi S, Mussi A, Schryvers D, Idrissi H, Nature 591, 82 (2021). http://doi.org/10.1038/S41586-021-03238-3
Abstract: The mechanical properties of olivine-rich rocks are key to determining the mechanical coupling between Earth's lithosphere and asthenosphere. In crystalline materials, the motion of crystal defects is fundamental to plastic flow(1-4.) However, because the main constituent of olivine-rich rocks does not have enough slip systems, additional deformation mechanisms are needed to satisfy strain conditions. Experimental studies have suggested a non-Newtonian, grain-size-sensitive mechanism in olivine involving grain-boundary sliding(5,6). However, very few microstructural investigations have been conducted on grain-boundary sliding, and there is no consensus on whether a single or multiple physical mechanisms are at play. Most importantly, there are no theoretical frameworks for incorporating the mechanics of grain boundaries in polycrystalline plasticity models. Here we identify a mechanism for deformation at grain boundaries in olivine-rich rocks. We show that, in forsterite, amorphization takes place at grain boundaries under stress and that the onset of ductility of olivine-rich rocks is due to the activation of grain-boundary mobility in these amorphous layers. This mechanism could trigger plastic processes in the deep Earth, where high-stress conditions are encountered (for example, at the brittle-plastic transition). Our proposed mechanism is especially relevant at the lithosphere-asthenosphere boundary, where olivine reaches the glass transition temperature, triggering a decrease in its viscosity and thus promoting grain-boundary sliding.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 40.137
DOI: 10.1038/S41586-021-03238-3
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“Identification and distribution of metal soaps and oxalates in oil and tempera paint layers in fifteenth-century altarpieces using synchrotron radiation Techniques”. Salvadó N, Butí S, Pradell T, Beltran V, Cinque G, Juanhuix J page 195 (2019).
Abstract: The formation and distribution of metal soaps produced as a result of the reactivity and aging of the materials in a fifteenth-century egg tempera and oil paintings on wood are presented. The painting technique involves the application of several paint layers over a ground using, sometimes in the same paint layer sequence, drying oil and egg yolk binders. We show, with a selection of examples, how the use of thin sections and a combination of various micro-sensitive analytical techniques is adequate to obtain the high-quality data necessary for the unambiguous identification of metal soaps and metal oxalates as well as their distribution in the paint layers. The techniques include micro infrared spectroscopy (μSR-FTIR) and micro X-ray diffraction (μSR-XRD) with synchrotron radiation, optical microscopy (OM), and scanning electron microscopy with energy dispersive X-ray spectroscopy (SEM-EDS). The data obtained sheds light about the underlying reaction and aging mechanisms happening in each paint layer and among them. This helps to define the state of conservation of the artworks.
Keywords: H1 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1007/978-3-319-90617-1_11
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“Meta-analysis of CO₂, conversion, energy efficiency, and other performance data of plasma-catalysis reactors with the open access PIONEER database”. Salden A, Budde M, Garcia-Soto CA, Biondo O, Barauna J, Faedda M, Musig B, Fromentin C, Nguyen-Quang M, Philpott H, Hasrack G, Aceto D, Cai Y, Jury FA, Bogaerts A, Da Costa P, Engeln R, Galvez ME, Gans T, Garcia T, Guerra V, Henriques C, Motak M, Navarro MV, Parvulescu VI, Van Rooij G, Samojeden B, Sobota A, Tosi P, Tu X, Guaitella O, Journal of energy chemistry 86, 318 (2023). http://doi.org/10.1016/J.JECHEM.2023.07.022
Abstract: This paper brings the comparison of performances of CO2 conversion by plasma and plasma-assisted catalysis based on the data collected from literature in this field, organised in an open access online data-base. This tool is open to all users to carry out their own analyses, but also to contributors who wish to add their data to the database in order to improve the relevance of the comparisons made, and ultimately to improve the efficiency of CO2 conversion by plasma-catalysis. The creation of this database and data-base user interface is motivated by the fact that plasma-catalysis is a fast-growing field for all CO2 con-version processes, be it methanation, dry reforming of methane, methanolisation, or others. As a result of this rapid increase, there is a need for a set of standard procedures to rigorously compare performances of different systems. However, this is currently not possible because the fundamental mechanisms of plasma-catalysis are still too poorly understood to define these standard procedures. Fortunately how-ever, the accumulated data within the CO2 plasma-catalysis community has become large enough to war-rant so-called “big data” studies more familiar in the fields of medicine and the social sciences. To enable comparisons between multiple data sets and make future research more effective, this work proposes the first database on CO2 conversion performances by plasma-catalysis open to the whole community. This database has been initiated in the framework of a H2020 European project and is called the “PIONEER DataBase”. The database gathers a large amount of CO2 conversion performance data such as conversion rate, energy efficiency, and selectivity for numerous plasma sources coupled with or without a catalyst. Each data set is associated with metadata describing the gas mixture, the plasma source, the nature of the catalyst, and the form of coupling with the plasma. Beyond the database itself, a data extraction tool with direct visualisation features or advanced filtering functionalities has been developed and is available online to the public. The simple and fast visualisation of the state of the art puts new results into context, identifies literal gaps in data, and consequently points towards promising research routes. More advanced data extraction illustrates the impact that the database can have in the understanding of plasma-catalyst coupling. Lessons learned from the review of a large amount of literature during the setup of the database lead to best practice advice to increase comparability between future CO2 plasma-catalytic studies. Finally, the community is strongly encouraged to contribute to the database not only to increase the visibility of their data but also the relevance of the comparisons allowed by this tool. (c) 2023 Science Press and Dalian Institute of Chemical Physics, Chinese Academy of Sciences. Published by ELSEVIER B.V. and Science Press. This is an open access article under the CC BY license (http://creati- vecommons.org/licenses/by/4.0/).
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 13.1
DOI: 10.1016/J.JECHEM.2023.07.022
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“High energy X-ray microscopy for characterisation of fuel particles”. Salbu B, Krekling T, Lind OC, Oughton DH, Drakopoulos M, Simionovici AS, Snigireva I, Snigirev A, Weitkamp T, Adams F, Janssens K, Kashparov VA, Nuclear instruments and methods in physics research : A: accelerators, spectrometers, detectors and associated equipment 467, 1249 (2001). http://doi.org/10.1016/S0168-9002(01)00641-6
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 1.362
DOI: 10.1016/S0168-9002(01)00641-6
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“SR-based X-ray microbeam techniques utilised for solid-state speciation of U in fuel particles”. Salbu B, Janssens K, Lind OC, Simionovici AS, Trekling T, Drakopoulos M, Snigireva I, Snigirev A, (2002)
Keywords: P3 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Oxidation states of uranium in DU particles from Kosovo”. Salbu B, Janssens K, Lind OC, Proost K, Danesi PR, Journal of environmental radioactivity 64, 167 (2003). http://doi.org/10.1016/S0265-931X(02)00047-4
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Impact Factor: 2.31
DOI: 10.1016/S0265-931X(02)00047-4
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“Proof of concept of high-rate decentralized pre-composting of kitchen waste : optimizing design and operation of a novel drum reactor”. Sakarika M, Spiller M, Baetens R, Donies G, Vanderstuyf J, Vinck K, Vrancken KC, Van Barel G, Du Bois E, Vlaeminck SE, Waste management 91, 20 (2019). http://doi.org/10.1016/J.WASMAN.2019.04.049
Abstract: Each ton of organic household waste that is collected, transported and composted incurs costs (€75/ton gate fee). Reducing the mass and volume of kitchen waste (
KW) at the point of collection can diminish transport requirements and associated costs, while also leading to an overall reduction in gate fees for final processing. To this end, the objective of this research was to deliver a proof of concept for the so-called “urban pre-composter”; a bioreactor for the decentralized, high-rate pre-treatment of KW, that aims at mass and volume reduction at the point of collection. Results show considerable reductions in mass (33%), volume (62%) and organic solids (32%) of real KW, while provision of structure material and separate collection of leachate was found to be unnecessary. The temperature profile, C/N ratio (12) and VS/TS ratio (0.69) indicated that a mature compost can be produced in 68 days (after pre-composting and main composting). An economic Monte Carlo simulation yielded that the urban pre-composter concept is not more expensive than the current approach, provided its cost per unit is €8,000–€14,500 over a 10-year period (OPEX and CAPEX, in 80% of the cases). The urban pre-composter is therefore a promising system for the efficient pre-treatment of organic household waste in an urban context.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL); Product development
DOI: 10.1016/J.WASMAN.2019.04.049
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“Kinetics of growth and lipids accumulation in Chlorella vulgaris during batch heterotrophic cultivation : effect of different nutrient limitation strategies”. Sakarika M, Kornaros M, Bioresource technology 243, 356 (2017). http://doi.org/10.1016/J.BIORTECH.2017.06.110
Abstract: The present study aimed at: (1) determining the effect of sulfur addition on biomass growth and (2) assessing the effect of sulfur, phosphorus and nitrogen limitation on lipid accumulation by C. vulgaris SAG 211-11b. The sulfur cellular content was more than two-fold higher under nitrogen and phosphorus limitation (0.52% and 0.54% w w(-1), respectively) compared to sulfur requirements (0.20% w w(-1)) under sulfur limiting conditions. The nitrogen needs are significantly lower (2.81-3.35% w w(-1)) when compared to other microalgae and become 23% lower under nitrogen or phosphorus limitation. The microalga exhibited substrate inhibition above 30 g L-1 initial glucose concentration. Sulfur limitation had the most significant effect on lipid accumulation, resulting in maximum total lipid content of 53.43 +/- 3.93% g g(DW)(1). In addition to enhancing lipid productivity, adopting the optimal nutrient limitation strategy can result in cost savings by avoiding unnecessary nutrient additions and eliminate the environmental burden due to wasted resources. (C) 2017 Elsevier Ltd. All rights reserved.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
DOI: 10.1016/J.BIORTECH.2017.06.110
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“Endolithic cyanobacteria in Maastricht limestone”. Saiz-Jimenez C, Garcia-Rowe J, Garcia Del Cura MA, Ortega-Camvo JJ, Roekens E, Van Grieken R, The science of the total environment 94, 209 (1990). http://doi.org/10.1016/0048-9697(90)90171-P
Abstract: The Maastricht limestone used for the construction of the 14th century O.L. Basilica in Tongeren, Belgium, is a light yellowish, porous, soft rock of the Late Cretaceous age. The limestone has a high carbonate content (> 95%); quartz and glauconite occur rarely. On the north side of the building, there is extensive growth of epilithic algae. On the south side, an assemblage of organisms was observed beneath the abiotic surface. This community, developed as a green layer 1 mm below the surface, is dominated by cyanobacteria. A moss was also present. The organisms were studied by transmitted light, phase contrast and scanning electron microscopy, and isolated in cultures. The cyanobacteria belong to the genera Synechococcus and Chroococcidiopsis, and the moss was identified as Tortula muralis Hedw. The organic matter present in the green layer was characterized in terms of molecular components using analytical pyrolysis. Pyrolysis products from polysaccharides and proteins, and evaporation/pyrolysis products from lipids, comprise the vast majority of identified compounds. The identification of specific biomarkers such as 7-methylheptadecane is further evidence of the presence of cyanobacteria. Phytenes and phytadienes are indicative of phototrophic organisms, as they are pyrolysis products from chlorophylls.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
DOI: 10.1016/0048-9697(90)90171-P
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“Damages caused to European monuments by air pollution: assessment and preventive measures”. Saiz-Jimenez C, Brimblecombe P, Camuffo D, Lefèvre R-A, Van Grieken R page 91 (2004).
Keywords: H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
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“Interatomic potential for predicting the thermal conductivity of zirconium trisulfide monolayers with molecular dynamics”. Saiz F, Karaaslan Y, Rurali R, Sevik C, Journal Of Applied Physics 129, 155105 (2021). http://doi.org/10.1063/5.0046823
Abstract: We present here a new interatomic potential parameter set to predict the thermal conductivity of zirconium trisulfide monolayers. The generated Tersoff-type force field is parameterized using data collected with first-principles calculations. We use non-equilibrium molecular dynamics simulations to predict the thermal conductivity. The generated parameters result in very good agreement in structural, mechanical, and dynamical parameters. The room temperature lattice thermal conductivity ( kappa) of the considered crystal is predicted to be kappa x x = 25.69Wm – 1K – 1 and kappa y y = 42.38Wm – 1K – 1, which both agree well with their corresponding first-principles values with a discrepancy of less than 5%. Moreover, the calculated kappa variation with temperature (200 and 400 K) are comparable within the framework of the accuracy of both first-principles and molecular dynamics simulations.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
DOI: 10.1063/5.0046823
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