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| Author | Mao, D.; Lookman, R.; van de Weghe, H.; Weltens, R.; Vanermen, G.; Brucker, N.; Diels, L. | ||||
| Title | Estimation of ecotoxicity of petroleum hydrocarbon mixtures in soil based on HPLC-GCXGC analysis | Type | A1 Journal article | ||
| Year | 2009 | Publication | Chemosphere | Abbreviated Journal | |
| Volume | 77 | Issue  |
11 | Pages | 1508-1513 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Detailed HPLCGCXGC/FID (high performance liquid chromatography followed by comprehensive two-dimensional gas chromatography with flame-ionization detection) analysis of oil-contaminated soils was performed to interpret results of selected acute ecotoxicity assays. For the five ecotoxicity assays tested, plant seed germination and Microtox® were selected as most sensitive for evaluating ecotoxicity of the oil in the soil phase and in the leaching water, respectively. The measured toxicity for cress when testing the soil samples did not correspond to TPH concentration in the soil. A detailed chemical composition analysis of the oil contamination using HPLCGCXGC/FID allows to better predict the ecotoxicological risk and leaching potential of petroleum hydrocarbons in soil. Cress biomass production per plant was well correlated to the total aromatic hydrocarbon concentration (R2 = 0.79, n = 6), while cress seed germination was correlated (R2 = 0.82, n = 6) with total concentration of highly water-soluble aromatic hydrocarbons (HSaromatics). The observed ecotoxicity of the leaching water for Microtox-bacteria related well to calculated (based on the HPLCGCXGC/FID results) petroleum hydrocarbon equilibrium concentrations in water. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000272598700008 | Publication Date | 2009-10-31 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0045-6535; 1879-1298 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:80310 | Serial | 7935 | ||
| Permanent link to this record | |||||
| Author | Kocabas, T.; Cakir, D.; Sevik, C. | ||||
| Title | First-principles discovery of stable two-dimensional materials with high-level piezoelectric response | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Physics-Condensed Matter | Abbreviated Journal | J Phys-Condens Mat |
| Volume | 33 | Issue |
11 | Pages | 115705 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000605852800001 | Publication Date | 2020-12-15 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0953-8984 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.649 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 2.649 | |||
| Call Number | UA @ admin @ c:irua:193761 | Serial | 7971 | ||
| Permanent link to this record | |||||
| Author | Xiaoyan, S.; Zhang, Y.-R.; Wang, Y.-N.; He, J.-X. | ||||
| Title | Fluid simulation of the superimposed dual-frequency source effect in inductively coupled discharges | Type | A1 Journal article | ||
| Year | 2021 | Publication | Physics Of Plasmas | Abbreviated Journal | Phys Plasmas |
| Volume | 28 | Issue |
11 | Pages | 113504-113510 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | Superimposition of dual frequencies (DFs) is one of the methods used for controlling plasma distribution in an inductively coupled plasma (ICP) source. The effects of a superimposed DF on the argon plasma characteristics have been investigated using a two-dimensional self-consistent fluid model. When both currents are fixed at 6A, the plasma density drops with decrease in one of the source frequencies due to less efficient heating and the plasma uniformity improves significantly. Moreover, for ICP operated with superimposed DFs (i.e., 4.52MHz/13.56MHz and 2.26MHz/13.56MHz), the current source exhibits the same period as the low frequency (LF) component, and the plasma density is higher than that obtained at a single frequency (i.e., 4.52 and 2.26MHz) with the same total current of 12A. However, at superimposed current frequencies of 6.78MHz/13.56MHz, the plasma density is lower than that obtained at a single frequency of 6.78MHz due to the weaker negative azimuthal electric field between two positive maxima during one period of 6.78MHz. When the superimposed DF ICP operates at 2.26 and 13.56MHz, the rapid oscillations of the induced electric field become weaker during one period of 2.26MHz as the current ratio of 2.26MHz/13.56MHz rises from 24A/7 A to 30A/1 A, and the plasma density drops with the current ratio due to weakened electron heating. The uniformity of plasma increases due to sufficient diffusion under the low-density condition. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000760326100004 | Publication Date | 2021-11-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1070-664x | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.115 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 2.115 | |||
| Call Number | UA @ admin @ c:irua:187245 | Serial | 7974 | ||
| Permanent link to this record | |||||
| Author | Idaszek, J.; Brynk, T.; Jaroszewicz, J.; Vanmeert, F.; Bruinink, A.; Swieszkowski, W. | ||||
| Title | Investigation of mechanical properties of porous composite scaffolds with tailorable degradation kinetics after in vitro degradation using digital image correlation | Type | A1 Journal article | ||
| Year | 2017 | Publication | Polymer composites | Abbreviated Journal | |
| Volume | 38 | Issue |
11 | Pages | 2402-2410 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Tissue engineering combines artificial scaffolds and living cells in order to reconstruct damaged tissues and organs. The biodegradable scaffolds should maintain their mechanical properties during first stages of the regeneration. The aim of this study was to investigate the extent the degradation affects the mechanical stability of novel biodegradable composite scaffolds in relation to their composition. The scaffolds were made using fused deposition modeling. They were composed of ternary composites containing poly(epsilon-caprolactone) (PCL), 5 wt% of tricalcium phosphate (TCP) and 5, 15, and 25 wt% of poly(lactide-co-glycolide) (PLGA). Scaffolds made of pristine PCL and binary composite PCL-TCP were tested as reference samples. The degradation experiment was carried out in simulated body fluid at 37 degrees C for 12 weeks. Mechanical tests were carried out in a mechanical tester. Strain was measured using digital image correlation and crossbar displacement. Chemical composition had a significant effect on initial mechanical properties and their changes during degradation. The initial apparent Young's modulus of ternary composite scaffolds was two times higher than that of PCL-TCP. Higher PLGA concentration yielded faster decrease of the mechanical properties. At the end of the experiment, there were no significant differences of the modulus among all tested materials although degradation of the ternary composite scaffolds was significantly advanced. (C) 2015 Society of Plastics Engineers | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000415812000008 | Publication Date | 2015-10-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0272-8397 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:147728 | Serial | 8127 | ||
| Permanent link to this record | |||||
| Author | Alvarez-Martin, A.; Wilcop, M.; Anderson, R.; Wendt, D.; Barden, R.; Kavich, G.M. | ||||
| Title | Investigation of volatile organic compounds in museum storage areas | Type | A1 Journal article | ||
| Year | 2021 | Publication | Air Quality Atmosphere And Health | Abbreviated Journal | Air Qual Atmos Hlth |
| Volume | 14 | Issue |
11 | Pages | 1797-1809 |
| Keywords | A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS) | ||||
| Abstract | This study investigates the complex mixture of volatile organic compounds (VOCs) released by and accumulated within a collection of historic medicinal, pharmaceutical, and cosmetic artifacts housed at the National Museum of American History (Smithsonian Institution). In recent years, staff have become concerned, both for the safety of the objects and for personnel working in the collection, about strong unremediated odors accumulating within several storage cabinets. Museum staff also wondered if non-odorous off-gassing might need remediation. Solid-phase microextraction combined with gas chromatography–mass spectrometry analysis (SPME–GC–MS) was used to identify VOCs present in the storage room housing the collection. Over 160 compounds were detected and identified overall. Among these, 49 appeared to be directly related to ingredients used in the manufacture of many collection items. The results of the study suggest that SPME–GC–MS can be a strong tool for the rapid screening of multicomponent museum collections exhibiting off-gassing problems, before the pursuit of other more tedious analytical approaches. Additionally, the study reveals valuable insight into the characteristic volatile emission of historic medicinal, pharmaceutical, and cosmetic artifacts, increasing understanding of, and decision-making for, similar collections of objects. Eventually, it is hoped that this information can be used to inform mitigation strategies for the capture and reduction of VOCs in collections storage areas. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000659058300001 | Publication Date | 2021-06-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1873-9318 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.184 | Times cited | Open Access | Not_Open_Access | |
| Notes | Approved | Most recent IF: 3.184 | |||
| Call Number | UA @ admin @ c:irua:181923 | Serial | 8129 | ||
| Permanent link to this record | |||||
| Author | Robberecht, H.J.; Van Grieken, R.E.; Van den Bosch, P.A.; Deelstra, H.; vanden Berghe, D. | ||||
| Title | Losses of metabolically incorporated selenium in common digestion procedures for biological material | Type | A1 Journal article | ||
| Year | 1982 | Publication | Talanta : the international journal of pure and applied analytical chemistry | Abbreviated Journal | |
| Volume | 29 | Issue |
11 | Pages | 1025-1028 |
| Keywords | A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Two common procedures for wet destruction of biological materials for subsequent determination of selenium have been investigated. Rat organs and biological fluids were endogenously labelled with 75Se to monitor losses during the procedures. Addition of nitric and perchloric acids with gradual heating up to 210° seemed to be the best method: at this temperature the labelled selenium was still recovered quantitatively, and the destruction was fast and efficient. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | A1982PP35500009 | Publication Date | 2002-07-25 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0039-9140; 1873-3573 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:116568 | Serial | 8186 | ||
| Permanent link to this record | |||||
| Author | Ilgrande, C.; Defoirdt, T.; Vlaeminck, S.E.; Boon, N.; Clauwaert, P. | ||||
| Title | Media optimization, strain compatibility, and low-shear modeled microgravity exposure of synthetic microbial communities for urine nitrification in regenerative life-support systems | Type | A1 Journal article | ||
| Year | 2019 | Publication | Astrobiology | Abbreviated Journal | |
| Volume | 19 | Issue |
11 | Pages | 1353-1362 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Urine is a major waste product of human metabolism and contains essential macro- and micronutrients to produce edible microorganisms and crops. Its biological conversion into a stable form can be obtained through urea hydrolysis, subsequent nitrification, and organics removal, to recover a nitrate-enriched stream, free of oxygen demand. In this study, the utilization of a microbial community for urine nitrification was optimized with the focus for space application. To assess the role of selected parameters that can impact ureolysis in urine, the activity of six ureolytic heterotrophs (Acidovorax delafieldii, Comamonas testosteroni, Cupriavidus necator, Delftia acidovorans, Pseudomonas fluorescens, and Vibrio campbellii) was tested at different salinities, urea, and amino acid concentrations. The interaction of the ureolytic heterotrophs with a nitrifying consortium (Nitrosomonas europaea ATCC 19718 and Nitrobacter winogradskyi ATCC 25931) was also tested. Lastly, microgravity was simulated in a clinostat utilizing hardware for in-flight experiments with active microbial cultures. The results indicate salt inhibition of the ureolysis at 30 mS cm(-1), while amino acid nitrogen inhibits ureolysis in a strain-dependent manner. The combination of the nitrifiers with C. necator and V. campbellii resulted in a complete halt of the urea hydrolysis process, while in the case of A. delafieldii incomplete nitrification was observed, and nitrite was not oxidized further to nitrate. Nitrate production was confirmed in all the other communities; however, the other heterotrophic strains most likely induced oxygen competition in the test setup, and nitrite accumulation was observed. Samples exposed to low-shear modeled microgravity through clinorotation behaved similarly to the static controls. Overall, nitrate production from urea was successfully demonstrated with synthetic microbial communities under terrestrial and simulated space gravity conditions, corroborating the application of this process in space. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000492817700004 | Publication Date | 2019-10-28 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1557-8070; 1531-1074 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:164663 | Serial | 8215 | ||
| Permanent link to this record | |||||
| Author | Bal, K.M. | ||||
| Title | Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work | Type | A1 Journal article | ||
| Year | 2021 | Publication | Journal Of Chemical Theory And Computation | Abbreviated Journal | J Chem Theory Comput |
| Volume | 17 | Issue |
11 | Pages | 6766-6774 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We introduce a simple enhanced sampling approach for the calculation of free energy differences and barriers along a one-dimensional reaction coordinate. First, a small number of short nonequilibrium simulations are carried out along the reaction coordinate, and the Jarzynski equality is used to learn an approximate free energy surface from the nonequilibrium work distribution. This free energy estimate is represented in a compact form as an artificial neural network and used as an external bias potential to accelerate rare events in a subsequent molecular dynamics simulation. The final free energy estimate is then obtained by reweighting the equilibrium probability distribution of the reaction coordinate sampled under the influence of the external bias. We apply our reweighted Jarzynski sampling recipe to four processes of varying scales and complexities.spanning chemical reaction in the gas phase, pair association in solution, and droplet nucleation in supersaturated vapor. In all cases, we find reweighted Jarzynski sampling to be a very efficient strategy, resulting in rapid convergence of the free energy to high precision. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000718183600008 | Publication Date | 2021-10-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1549-9618 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.245 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 5.245 | |||
| Call Number | UA @ admin @ c:irua:184676 | Serial | 8479 | ||
| Permanent link to this record | |||||
| Author | Haest, P.J.; Springael, D.; Seuntjens, P.; Smolders, E. | ||||
| Title | Self-inhibition can limit biologically enhanced TCE dissolution from a TCE DNAPL | Type | A1 Journal article | ||
| Year | 2012 | Publication | Chemosphere | Abbreviated Journal | |
| Volume | 89 | Issue |
11 | Pages | 1369-1375 |
| Keywords | A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) | ||||
| Abstract | Biodegradation of trichloroethene (TCE) near a Dense Non Aqueous Phase Liquid (DNAPL) can enhance the dissolution rate of the DNAPL by increasing the concentration gradient at the DNAPL-water interface. Two-dimensional flow-through sand boxes containing a ICE DNAPL and inoculated with a TCE dechlorinating consortium were set up to measure this bio-enhanced dissolution under anaerobic conditions. The total mass of TCE and daughter products in the effluent of the biotic boxes was 3-6 fold larger than in the effluent of the abiotic box. However, the mass of daughter products only accounted for 19-55% of the total mass of chlorinated compounds in the effluent, suggesting that bio-enhanced dissolution factors were maximally 1.3-2.2. The enhanced dissolution most likely primarily resulted from variable DNAPL distribution rather than biodegradation. Specific dechlorination rates previously determined in a stirred liquid medium were used in a reactive transport model to identify the rate limiting factors. The model adequately simulated the overall TCE degradation when predicted resident microbial numbers approached observed values and indicated an enhancement factor for TCE dissolution of 1.01. The model shows that dechlorination of TCE in the 20 box was limited due to the short residence time and the self-inhibition of the TCE degradation. A parameter sensitivity analysis predicts that the bio-enhanced dissolution factor for this TCE source zone can only exceed a value of 2 if the TCE self-inhibition is drastically reduced (when a TCE tolerant dehalogenating community is present) or if the DNAPL is located in a low-permeable layer with a small Darcy velocity. (C) 2012 Elsevier Ltd. All rights reserved. | ||||
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| Language | Wos | 000310112600015 | Publication Date | 2012-06-30 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0045-6535; 1879-1298 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:102142 | Serial | 8512 | ||
| Permanent link to this record | |||||
| Author | Tchakoua, T.; Powell, A.D.; Gerrits, N.; Somers, M.F.; Doblhoff-Dier, K.; Busnengo, H.F.; Kroes, G.-J. | ||||
| Title | Simulating highly activated sticking of H₂ on Al(110) : quantum versus quasi-classical dynamics | Type | A1 Journal article | ||
| Year | 2023 | Publication | The journal of physical chemistry: C : nanomaterials and interfaces | Abbreviated Journal | |
| Volume | 127 | Issue |
11 | Pages | 5395-5407 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | We evaluate the importance of quantum effects on the sticking of H2 on Al(110) for conditions that are close to those of molecular beam experiments that have been done on this system. Calculations with the quasi-classical trajectory (QCT) method and with quantum dynamics (QD) are performed using a model in which only motion in the six molecular degrees of freedom is allowed. The potential energy surface used has a minimum barrier height close to the value recently obtained with the quantum Monte Carlo method. Monte Carlo averaging over the initial rovibrational states allowed the QD calculations to be done with an order of magnitude smaller computational expense. The sticking probability curve computed with QD is shifted to lower energies relative to the QCT curve by 0.21 to 0.05 kcal/mol, with the highest shift obtained for the lowest incidence energy. Quantum effects are therefore expected to play a small role in calculations that would evaluate the accuracy of electronic structure methods for determining the minimum barrier height to dissociative chemisorption for H2 + Al(110) on the basis of the standard procedure for comparing results of theory with molecular beam experiments. | ||||
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| Language | Wos | 000971346700001 | Publication Date | 2023-03-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1932-7447; 1932-7455 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.7 | Times cited | Open Access | OpenAccess | |
| Notes | Approved | Most recent IF: 3.7; 2023 IF: 4.536 | |||
| Call Number | UA @ admin @ c:irua:196071 | Serial | 8525 | ||
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| Author | Rakesh Roshan, S.C.; Yedukondalu, N.; Pandey, T.; Kunduru, L.; Muthaiah, R.; Rajaboina, R.K.; Ehm, L.; Parise, J.B. | ||||
| Title | Effect of atomic mass contrast on lattice thermal conductivity : a case study for alkali halides and alkaline-earth chalcogenides | Type | A1 Journal article | ||
| Year | 2023 | Publication | ACS applied electronic materials | Abbreviated Journal | |
| Volume | 5 | Issue |
11 | Pages | 5852-5863 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Lattice thermal conductivity (kappa(L)) is of great scientific interest for the development of efficient energy conversion technologies. Therefore, microscopic understanding of phonon transport is critically important for designing functional materials. In our previous study (Roshan et al., ACS Applied Energy Mater. 2021, 5, 882-896), anomalous kappa(L) trends were predicted for rocksalt alkaline-earth chalcogenides (AECs). In the present work, we extended it to alkali halides (AHs) and conducted a thorough investigation to explore the role of atomic mass contrast on lattice dynamics and phonon transport properties of 36 binary compounds (20 AHs + 16 AECs). The calculated spectral and cumulative kappa(L) reveal that low-lying optical phonon modes significantly boost kappa(L) alongside acoustic phonons in materials where the atomic mass ratio approaches unity and cophonocity nears zero. Phonon scattering rates are relatively low for materials with a mass ratio close to one, and the corresponding phonon lifetimes are higher, which enhances kappa(L). Phonon lifetimes play a critical role, outweighing phonon group velocities, in determining the anomalous trends in kappa(L) for both AHs and AECs. To further explore the role of atomic mass contrast in kappa(L), the effect of tensile lattice strain on phonon transport has also been investigated. Under tensile strain, both group velocities and phonon lifetimes decrease in the low frequency range, leading to a decrease in kappa(L). This work provides insights on how atomic mass contrast can tune the contribution of optical phonons to kappa(L) and its implications on scattering rates by either enhancing or suppressing kappa(L). These insights would aid in the selection of elements for designing new functional materials with and without atomic mass contrast to achieve relatively high and low kappa(L) values, respectively. | ||||
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| Language | Wos | 001096792500001 | Publication Date | 2023-10-26 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2637-6113 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | Most recent IF: NA | |||
| Call Number | UA @ admin @ c:irua:201198 | Serial | 9026 | ||
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| Author | Lima, I.L.C.; Milošević, M.V.; Peeters, F.M.; Chaves, A. | ||||
| Title | Tuning of exciton type by environmental screening | Type | A1 Journal article | ||
| Year | 2023 | Publication | Physical review B | Abbreviated Journal | |
| Volume | 108 | Issue |
11 | Pages | 115303-115308 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We theoretically investigate the binding energy and electron-hole (e-h) overlap of excitonic states confined at the interface between two-dimensional materials with type-II band alignment, i.e., with lowest conduction and highest valence band edges placed in different materials, arranged in a side-by-side planar heterostructure. We propose a variational procedure within the effective mass approximation to calculate the exciton ground state and apply our model to a monolayer MoS2/WS2 heterostructure. The role of nonabrupt interfaces between the materials is accounted for in our model by assuming a WxMo1-xS2 alloy around the interfacial region. Our results demonstrate that (i) interface-bound excitons are energetically favorable only for small interface thickness and/or for systems under high dielectric screening by the materials surrounding the monolayer, and that (ii) the interface exciton binding energy and its e-h overlap are controllable by the interface width and dielectric environment. | ||||
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| Language | Wos | 001077758300002 | Publication Date | 2023-09-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2469-9969; 2469-9950 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 3.7 | Times cited | 1 | Open Access | |
| Notes | Approved | Most recent IF: 3.7; 2023 IF: 3.836 | |||
| Call Number | UA @ admin @ c:irua:200356 | Serial | 9110 | ||
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| Author | Borhani, A.H.; Berghmans, H.; Trashin, S.; De Wael, K.; Fago, A.; Moens, L.; Habibi-Rezaei, M.; Dewilde, S. | ||||
| Title | Kinetic properties and heme pocket structure of two domains of the polymeric hemoglobin of Artemia in comparison with the native molecule | Type | A1 Journal article | ||
| Year | 2015 | Publication | Biochimica et biophysica acta : proteins and proteomics | Abbreviated Journal | Bba-Proteins Proteom |
| Volume | 1854 | Issue |
10a | Pages | 1307-1316 |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | In this project, we studied some physicochemical properties of two different globin domains of the polymeric hemoglobin of the brine shrimp Artemia salina and compared them with those of the native molecule. Two domains (AsHbC1D1 and AsHbC1D5) were cloned and expressed in BL21(DE3)pLysS strain of Escherichiacoli. The recombinant proteins as well as the native hemoglobin (AfHb) were purified from bacteria and frozen Artemia, respectively by standard chromatographic methods and assessed by SDS-PAGE. The heme environment of these proteins was studied by optical spectroscopy and ligand-binding kinetics (e.g. CO association and O2 binding affinity) were measured for the two recombinant proteins and the native hemoglobin. This indicates that the CO association rate for AsHbC1D1 is higher than that of AsHbC1D5 and AfHb, while the calculated P50 value for AsHbC1D1 is lower than that of AsHbC1D5 and AfHb. The geminate and bimolecular rebinding parameters indicate a significant difference between both domains. Moreover, EPR results showed that the heme pocket in AfHb is in a more closed conformation than the heme pocket in myoglobin. Finally, the reduction potential of − 0.13 V versus the standard hydrogen electrode was determined for AfHb by direct electrochemical measurements. It is about 0.06 V higher than the potential of the single domain AsHbC1D5. This work shows that each domain in the hemoglobin of Artemia has different characteristics of ligand binding. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000362307500008 | Publication Date | 2015-05-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1570-9639 | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 2.773 | Times cited | Open Access | ||
| Notes | ; This work was supported by the general grant for visiting scholar of the Ministry of Science, Research and Technology of I. R. Iran and by the University of Antwerp. ; | Approved | Most recent IF: 2.773; 2015 IF: 2.747 | ||
| Call Number | UA @ admin @ c:irua:125909 | Serial | 5683 | ||
| Permanent link to this record | |||||
| Author | Zhang, L.-F.; Covaci, L.; Peeters, F.M. | ||||
| Title | Position-dependent effect of non-magnetic impurities on superconducting properties of nanowires | Type | A1 Journal article | ||
| Year | 2015 | Publication | Europhysics letters | Abbreviated Journal | Epl-Europhys Lett |
| Volume | 109 | Issue |
109 | Pages | 17010 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Anderson's theorem states that non-magnetic impurities do not change the bulk properties of conventional superconductors. However, as the dimensionality is reduced, the effect of impurities becomes more significant. Here we investigate superconducting nanowires with diameter comparable to the Fermi wavelength $\lambda_F$ (which is less than the superconducting coherence length) by using a microscopic description based on the Bogoliubov-de Gennes method. We find that: 1) impurities strongly affect the superconducting properties, 2) the effect is impurity position dependent, and 3) it exhibits opposite behavior for resonant and off-resonant wire widths. We show that this is due to the interplay between the shape resonances of the order parameter and the subband energy spectrum induced by the lateral quantum confinement. These effects can be used to manipulate the Josephson current, filter electrons by subband and investigate the symmetries of the superconducting subband gaps. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Paris | Editor | ||
| Language | Wos | 000348592100029 | Publication Date | 2015-01-21 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0295-5075 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 1.957 | Times cited | 7 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vlaanderen) and the Methusalem funding of the Flemish Government. ; | Approved | Most recent IF: 1.957; 2015 IF: 2.095 | ||
| Call Number | UA @ lucian @ c:irua:128424 | Serial | 4227 | ||
| Permanent link to this record | |||||
| Author | Balasubramaniam, Y.; Pobedinskas, P.; Janssens, S.D.; Sakr, G.; Jomard, F.; Turner, S.; Lu, Y.G.; Dexters, W.; Soltani, A.; Verbeeck, J.; Barjon, J.; Nesládek, M.; Haenen, K.; | ||||
| Title | Thick homoepitaxial (110)-oriented phosphorus-doped n-type diamond | Type | A1 Journal article | ||
| Year | 2016 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 109 | Issue |
109 | Pages | 062105 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The fabrication of n-type diamond is essential for the realization of electronic components for extreme environments. We report on the growth of a 66 mu m thick homoepitaxial phosphorus-doped diamond on a (110)-oriented diamond substrate, grown at a very high deposition rate of 33 mu m h(-1). A pristine diamond lattice is observed by high resolution transmission electron microscopy, which indicates the growth of high quality diamond. About 2.9 x 10(16) cm(-3) phosphorus atoms are electrically active as substitutional donors, which is 60% of all incorporated dopant atoms. These results indicate that P-doped (110)-oriented diamond films deposited at high growth rates are promising candidates for future use in high-power electronic applications. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000383183600025 | Publication Date | 2016-08-11 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 20 | Open Access | |
| Notes | This work was financially supported by the EU through the FP7 Collaborative Project “DIAMANT,” the “H2020 Research and Innovation Action Project” “GreenDiamond” (No. 640947), and the Research Foundation-Flanders (FWO) (Nos. G.0C02.15N and VS.024.16N). J.V. acknowledges funding from the “Geconcentreerde Onderzoekacties” (GOA) project “Solarpaint” of the University of Antwerp. The TEM instrument was partly funded by the Hercules fund from the Flemish Government. We particularly thank Dr. J. E. Butler (Naval Research Laboratory, USA) for the sample preparation by laser slicing for TEM analysis, Dr. J. Pernot (Universite Grenoble Alpes/CNRS-Institut Neel, France) for helpful discussions, Ms. C. Vilar (Universite de Versailles St. Quentin en Yvelines, France) for technical help on SEM-CL experiments, and Dr. S. S. Nicley (Hasselt University, Belgium) for improving the language of the text. P.P. and S.T. are Postdoctoral Fellows of the Research Foundation-Flanders (FWO). | Approved | Most recent IF: 3.411 | ||
| Call Number | UA @ lucian @ c:irua:137160 | Serial | 4407 | ||
| Permanent link to this record | |||||
| Author | Milovanović, S.P.; Peeters, F.M. | ||||
| Title | Strain controlled valley filtering in multi-terminal graphene structures | Type | A1 Journal article | ||
| Year | 2016 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 109 | Issue |
109 | Pages | 203108 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Valley-polarized currents can be generated by local straining of multi-terminal graphene devices. The pseudo-magnetic field created by the deformation allows electrons from only one valley to transmit, and a current of electrons from a single valley is generated at the opposite side of the locally strained region. We show that valley filtering is most effective with bumps of a certain height and width. Despite the fact that the highest contribution to the polarized current comes from electrons from the lowest sub-band, contributions of other sub-bands are not negligible and can significantly enhance the output current. Published by AIP Publishing. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000388000000049 | Publication Date | 2016-11-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 50 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN. ; | Approved | Most recent IF: 3.411 | ||
| Call Number | UA @ lucian @ c:irua:139165 | Serial | 4463 | ||
| Permanent link to this record | |||||
| Author | Béché, A.; Goris, B.; Freitag, B.; Verbeeck, J. | ||||
| Title | Development of a fast electromagnetic beam blanker for compressed sensing in scanning transmission electron microscopy | Type | A1 Journal article | ||
| Year | 2016 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 108 | Issue |
108 | Pages | 093103 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The concept of compressed sensing was recently proposed to significantly reduce the electron dose in scanning transmission electron microscopy (STEM) while still maintaining the main features in the image. Here, an experimental setup based on an electromagnetic beam blanker placed in the condenser plane of a STEM is proposed. The beam blanker deflects the beam with a random pattern, while the scanning coils are moving the beam in the usual scan pattern. Experimental images at both the medium scale and high resolution are acquired and reconstructed based on a discrete cosine algorithm. The obtained results confirm that compressed sensing is highly attractive to limit beam damage in experimental STEM even though some remaining artifacts need to be resolved. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000375329200043 | Publication Date | 2016-03-01 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 40 | Open Access | |
| Notes | A.B and J.V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant No. 278510 VORTEX and under a contract for an Integrated Infrastructure Initiative (Reference No. 312483 ESTEEM2), from the GOA project SOLARPAINT and the POC project I13/009 from the University of Antwerp. B.G. acknowledges the Research Foundation Flanders (FWO Vlaanderen) for a postdoctoral research grant. The QuAnTem microscope was partially funded by the Hercules Foundation. We thank Zhaoliang Liao from the Mesa+ laboratory at the University of Twente for the perovskite test sample.; esteem2jra3 ECASJO; | Approved | Most recent IF: 3.411 | ||
| Call Number | c:irua:131895 c:irua:131895UA @ admin @ c:irua:131895 | Serial | 4023 | ||
| Permanent link to this record | |||||
| Author | Agarwal, T.; Sorée, B.; Radu, I.; Raghavan, P.; Fiori, G.; Iannaccone, G.; Thean, A.; Heyns, M.; Dehaene, W. | ||||
| Title | Comparison of short-channel effects in monolayer MoS2 based junctionless and inversion-mode field-effect transistors | Type | A1 Journal article | ||
| Year | 2016 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 108 | Issue |
108 | Pages | 023506 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | Conventional junctionless (JL) multi/gate (MuG) field-effect transistors (FETs) require extremely scaled channels to deliver high on-state current with low short-channel effect related leakage. In this letter, using ultra-thin 2D materials (e.g., monolayer MoS2), we present comparison of short-channel effects in JL, and inversion-mode (IM) FETs. We show that JL FETs exhibit better sub-threshold slope (S.S.) and drain-induced-barrier-lowering (DIBL) in comparison to IM FETs due to reduced peak electric field at the junctions. But, threshold voltage (VT) roll-off with channel length downscaling is found to be significantly higher in JL FETs than IM FETs, due to higher source/drain controlled charges (dE/dx) in the channel. Further, we show that although VT roll-off in JL FETs improves by increasing the gate control, i.e., by scaling the oxide, or channel thickness, the sensitivity of threshold voltage on structural parameters is found out to be high. (C) 2016 AIP Publishing LLC. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000370258400056 | Publication Date | 2016-01-16 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 13 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 3.411 | ||
| Call Number | UA @ lucian @ c:irua:132318 | Serial | 4152 | ||
| Permanent link to this record | |||||
| Author | Dhayalan, S.K.; Kujala, J.; Slotte, J.; Pourtois, G.; Simoen, E.; Rosseel, E.; Hikavyy, A.; Shimura, Y.; Iacovo, S.; Stesmans, A.; Loo, R.; Vandervorst, W.; | ||||
| Title | On the manifestation of phosphorus-vacancy complexes in epitaxial Si:P films | Type | A1 Journal article | ||
| Year | 2016 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 108 | Issue |
108 | Pages | 082106 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In situ doped epitaxial Si: P films with P concentrations > 1 x 10(21) at./cm(3) are suitable for source-drain stressors of n-FinFETs. These films combine the advantages of high conductivity derived from the high P doping with the creation of tensile strain in the Si channel. It has been suggested that the tensile strain developed in the Si: P films is due to the presence of local Si3P4 clusters, which however do not contribute to the electrical conductivity. During laser annealing, the Si3P4 clusters are expected to disperse resulting in an increased conductivity while the strain reduces slightly. However, the existence of Si3P4 is not proven. Based on first-principles simulations, we demonstrate that the formation of vacancy centered Si3P4 clusters, in the form of four P atoms bonded to a Si vacancy, is thermodynamically favorable at such high P concentrations. We suggest that during post epi-growth annealing, a fraction of the P atoms from these clusters are activated, while the remaining part goes into interstitial sites, thereby reducing strain. We corroborate our conjecture experimentally using positron annihilation spectroscopy, electron spin resonance, and Rutherford backscattering ion channeling studies. (C) 2016 AIP Publishing LLC. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000373057000023 | Publication Date | 2016-02-24 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 9 | Open Access | |
| Notes | Approved | Most recent IF: 3.411 | |||
| Call Number | UA @ lucian @ c:irua:133245 | Serial | 4217 | ||
| Permanent link to this record | |||||
| Author | Homm, P.; Dillemans, L.; Menghini, M.; Van Bilzen, B.; Bakalov, P.; Su, C.Y.; Lieten, R.; Houssa, M.; Nasr Esfahani, D.; Covaci, L.; Peeters, F.M.; Seo, J.W.; Locquet, J.P.; | ||||
| Title | Collapse of the low temperature insulating state in Cr-doped V2O3 thin films | Type | A1 Journal article | ||
| Year | 2015 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 107 | Issue |
107 | Pages | 111904 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | We have grown epitaxial Cr-doped V2O3 thin films with Cr concentrations between 0% and 20% on (0001)-Al2O3 by oxygen-assisted molecular beam epitaxy. For the highly doped samples (>3%), a regular and monotonous increase of the resistance with decreasing temperature is measured. Strikingly, in the low doping samples (between 1% and 3%), a collapse of the insulating state is observed with a reduction of the low temperature resistivity by up to 5 orders of magnitude. A vacuum annealing at high temperature of the films recovers the low temperature insulating state for doping levels below 3% and increases the room temperature resistivity towards the values of Cr-doped V2O3 single crystals. It is well-know that oxygen excess stabilizes a metallic state in V2O3 single crystals. Hence, we propose that Cr doping promotes oxygen excess in our films during deposition, leading to the collapse of the low temperature insulating state at low Cr concentrations. These results suggest that slightly Cr-doped V2O3 films can be interesting candidates for field effect devices. (C) 2015 AIP Publishing LLC. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000361639200020 | Publication Date | 2015-09-19 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951; 1077-3118 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 14 | Open Access | |
| Notes | ; The authors acknowledge financial support from the FWO Project No. G052010N10 as well as the EU-FP7 SITOGA Project. P.H. acknowledges support from Becas Chile-CONICYT. ; | Approved | Most recent IF: 3.411; 2015 IF: 3.302 | ||
| Call Number | UA @ lucian @ c:irua:128728 | Serial | 4149 | ||
| Permanent link to this record | |||||
| Author | Pospisilova, A.; Filippov, S.K.; Bogomolova, A.; Turner, S.; Sedlacek, O.; Matushkin, N.; Cernochova, Z.; Stepanek, P.; Hruby, M. | ||||
| Title | Glycogen-graft-poly(2-alkyl-2-oxazolines) – the new versatile biopolymer-based thermoresponsive macromolecular toolbox | Type | A1 Journal article | ||
| Year | 2014 | Publication | RSC advances | Abbreviated Journal | Rsc Adv |
| Volume | 4 | Issue |
106 | Pages | 61580-61588 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | This study is focused on thermoresponsive glycogen-graft-poly(2-alkyl-2-oxazolines), a new group of nanostructured hybrid dendrimeric stimuli-responsive polymers connecting the body's own biodegradable polysaccharidic dendrimer glycogen with the widely tuneable thermoresponsive behavior of polypeptide-analogic poly(2-alkyl-2-oxazolines), which are known to be biocompatible. Glycogen-graft-poly(2-alkyl-2-oxazolines) were prepared by a simple one-pot two-step procedure involving cationic ring-opening polymerization of 2-alkyl-2-oxazolines followed by termination of the living cationic ends with sodium glycogenate. As confirmed by light and X-ray scattering, as well as cryo-transmission electron microscopy, the grafted dendrimer structure allows easy adjustment of the cloud point temperature, the concentration dependence and nanostructure of the self-assembled phase separated polymer by crosstalk during graft composition, the graft length and the grafting density, in a very wide range. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000345656600045 | Publication Date | 2014-11-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2046-2069; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.108 | Times cited | 15 | Open Access | |
| Notes | Approved | Most recent IF: 3.108; 2014 IF: 3.840 | |||
| Call Number | UA @ lucian @ c:irua:122222 | Serial | 1355 | ||
| Permanent link to this record | |||||
| Author | Dumpala, S.; Broderick, S.R.; Khalilov, U.; Neyts, E.C.; van Duin, A.C.T.; Provine, J.; Howe, R.T.; Rajan, K. | ||||
| Title | Integrated atomistic chemical imaging and reactive force field molecular dynamic simulations on silicon oxidation | Type | A1 Journal article | ||
| Year | 2015 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 106 | Issue |
106 | Pages | 011602 |
| Keywords | A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) | ||||
| Abstract | In this paper, we quantitatively investigate with atom probe tomography, the effect of temperature on the interfacial transition layer suboxide species due to the thermal oxidation of silicon. The chemistry at the interface was measured with atomic scale resolution, and the changes in chemistry and intermixing at the interface were identified on a nanometer scale. We find an increase of suboxide (SiOx) concentration relative to SiO2 and increased oxygen ingress with elevated temperatures. Our experimental findings are in agreement with reactive force field molecular dynamics simulations. This work demonstrates the direct comparison between atom probe derived chemical profiles and atomistic-scale simulations for transitional interfacial layer of suboxides as a function of temperature. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000347976900008 | Publication Date | 2015-01-06 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951;1077-3118; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 19 | Open Access | |
| Notes | Approved | Most recent IF: 3.411; 2015 IF: 3.302 | |||
| Call Number | c:irua:122300 | Serial | 1679 | ||
| Permanent link to this record | |||||
| Author | Torun, E.; Sahin, H.; Singh, S.K.; Peeters, F.M. | ||||
| Title | Stable half-metallic monolayers of FeCl2 | Type | A1 Journal article | ||
| Year | 2015 | Publication | Applied physics letters | Abbreviated Journal | Appl Phys Lett |
| Volume | 106 | Issue |
106 | Pages | 192404 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The structural, electronic, and magnetic properties of single layers of Iron Dichloride (FeCl2) were calculated using first principles calculations. We found that the 1T phase of the single layer FeCl2 is 0.17 eV/unit cell more favorable than its 1H phase. The structural stability is confirmed by phonon calculations. We found that 1T-FeCl2 possess three Raman-active (130, 179, and 237 cm(-1)) and one infrared-active (279 cm(-1)) phonon branches. The electronic band dispersion of the 1T-FeCl2 is calculated using both gradient approximation of Perdew-Burke-Ernzerhof and DFT-HSE06 functionals. Both functionals reveal that the 1T-FeCl2 has a half-metallic ground state with a Curie temperature of 17 K. (C) 2015 AIP Publishing LLC. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | American Institute of Physics | Place of Publication | New York, N.Y. | Editor | |
| Language | Wos | 000355008100020 | Publication Date | 2015-05-13 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0003-6951;1077-3118; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 3.411 | Times cited | 84 | Open Access | |
| Notes | ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. was supported by a FWO Pegasus Long Marie Curie Fellowship. ; | Approved | Most recent IF: 3.411; 2015 IF: 3.302 | ||
| Call Number | c:irua:126411 | Serial | 3143 | ||
| Permanent link to this record | |||||
| Author | Zhang, F.; Batuk, M.; Hadermann, J.; Manfredi, G.; Mariën, A.; Vanmeensel, K.; Inokoshi, M.; Van Meerbeek, B.; Naert, I.; Vleugels, J. | ||||
| Title | Effect of cation dopant radius on the hydrothermal stability of tetragonal zirconia: Grain boundary segregation and oxygen vacancy annihilation | Type | A1 Journal article | ||
| Year | 2016 | Publication | Acta materialia | Abbreviated Journal | Acta Mater |
| Volume | 106 | Issue |
106 | Pages | 48-58 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | The hydrothermal aging stability of 3Y-TZP-xM2O3 (M = La, Nd, Sc) was investigated as a function of 0.02–5 mol% M2O3 dopant content and correlated to the overall phase content, t-ZrO2 lattice parameters, grain size distribution, grain boundary chemistry and ionic conductivity. The increased aging stability with increasing Sc2O3 content and the optimum content of 0.4–0.6 mol% Nd2O3 or 0.2–0.4 mol% La2O3, resulting in the highest aging resistance, could be directly related to the constituent phases and the lattice parameters of the remaining tetragonal zirconia. At low M2O3 dopant contents ≤0.4 mol%, the different aging behavior of tetragonal zirconia was attributed to the defect structure of the zirconia grain boundary which was influenced by the dopant cation radius. It was observed that the grain boundary ionic resistivity and the aging resistance followed the same trend: La3+ > Nd3+ > Al3+ > Sc3+, proving that hydrothermal aging is driven by the diffusion of water-derived mobile species through the oxygen vacancies. Accordingly, we elucidated the underlying mechanism by which a larger trivalent cation segregating at the zirconia grain boundary resulted in a higher aging resistance. |
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| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000371650300006 | Publication Date | 2016-01-08 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6454 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 5.301 | Times cited | 37 | Open Access | |
| Notes | The authors acknowledge the Research Fund of KU Leuven under project 0T/10/052 and the Fund for Scientific Research Flanders (FWO-Vlaanderen) under grant G.0431.10N. F. Zhang thanks the Research Fund of KU Leuven for her post-doctoral fellowship (PDM/15/153). | Approved | Most recent IF: 5.301 | ||
| Call Number | c:irua:132435 | Serial | 4076 | ||
| Permanent link to this record | |||||
| Author | Misseeuw, L.; Krajewska, A.; Pasternak, I.; Ciuk, T.; Strupinski, W.; Reekmans, G.; Adriaensens, P.; Geldof, D.; Geldof, D.; Van Vlierberghe, S.; Thienpont, H.; Dubruelf, P.; Vermeulen, N. | ||||
| Title | Optical-quality controllable wet-chemical doping of graphene through a uniform, transparent and low-roughness F4-TCNQ/MEK layer | Type | A1 Journal article | ||
| Year | 2016 | Publication | RSC advances | Abbreviated Journal | |
| Volume | Issue |
106 | Pages | 104491-104501 | |
| Keywords | A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) | ||||
| Abstract | Controllable chemical doping of graphene has already proven very useful for electronic applications, but when turning to optical and photonic applications, the additional requirement of having both a high transparency and a low surface roughness has, to our knowledge, not yet been fulfilled by any chemical dopant system reported so far. In this work, a new method that meets for the first time this opticalquality requirement while also providing efficient, controllable doping is presented. The method relies on F4-TCNQ dissolved in methyl ethyl ketone (MEK) yielding a uniform deposition after spin coating because of an extraordinary charge transfer interaction between the F4-TCNQ and MEK molecules. The formed F4-TCNQ/MEK layer exhibits a very high surface quality and optical transparency over the visible-infrared wavelength range between 550 and 1900 nm. By varying the dopant concentration of F4-TCNQ from 2.5 to 40 mg ml1 MEK, the doping effect can be controlled between Dn ¼ +5.73 1012 cm2 and +1.09 1013 cm2 for initially strongly p-type hydrogen-intercalated graphene grown on 6Hsilicon- carbide substrates, and between Dn ¼ +5.56 1012 cm2 and +1.04 1013 cm2 for initially weakly p-type graphene transferred on silicon samples. This is the first time that truly optical-quality chemical doping of graphene is demonstrated, and the obtained doping values exceed those reported before for F4-TCNQ-based graphene doping by as much as 50%. | ||||
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| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000388111900075 | Publication Date | 2016-10-27 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 2046-2069 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | Open Access | |||
| Notes | Approved | no | |||
| Call Number | UA @ admin @ c:irua:136405 | Serial | 8335 | ||
| Permanent link to this record | |||||
| Author | Tang, Y.; Chen, Z.; Borbely, A.; Ji, G.; Zhong, S.Y.; Schryvers, D.; Ji, V.; Wang, H.W. | ||||
| Title | Quantitative study of particle size distribution in an in-situ grown Al-TiB2 composite by synchrotron X-ray diffraction and electron microscopy | Type | A1 Journal article | ||
| Year | 2015 | Publication | Materials characterization | Abbreviated Journal | Mater Charact |
| Volume | 102 | Issue |
102 | Pages | 131-136 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Synchrotron X-ray diffraction and transmission electron microscopy (TEM) were applied to quantitatively characterize the average particle size and size distribution of free-standing TiB2 particles and TiB2 particles in an insitu grown Al–TiB2 composite. The detailed evaluations were carried out by X-ray line profile analysis using the restrictedmoment method and multiplewhole profile fitting procedure (MWP). Both numericalmethods indicate that the formed TiB2 particles are well crystallized and free of crystal defects. The average particle size determined from different Bragg reflections by the restricted moment method ranges between 25 and 55 nm, where the smallest particle size is determined using the 110 reflection suggesting the highest lateral-growth velocity of (110) facets. TheMWP method has shown that the in-situ grown TiB2 particles have a very low dislocation density (~1011 m−2) and their size distribution can be described by a log-normal distribution. Good agreement was found between the results obtained from the restricted moment and MWP methods, which was further confirmed by TEM. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | New York | Editor | ||
| Language | Wos | 000355335200017 | Publication Date | 2015-03-04 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1044-5803; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.714 | Times cited | 41 | Open Access | |
| Notes | This work is financially supported by the National Natural Science Foundation of China (Grant No. 51201099 and No. 51301108) and the China Postdoctoral Science Foundation (Grant No. 2013T60443 and No. 2012M520891). The authors are grateful for the project 2013BB03 supported by NPL, CAEP. Many thanks are also due to the faculty of BL14B beamline at the Shanghai Synchrotron Radiation Facility for their help on synchrotron experiments. | Approved | Most recent IF: 2.714; 2015 IF: 1.845 | ||
| Call Number | c:irua:126443 | Serial | 2764 | ||
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| Author | Gong, X.; Marmy, P.; Volodin, A.; Amin-Ahmadi, B.; Qin, L.; Schryvers, D.; Gavrilov, S.; Stergar, E.; Verlinden, B.; Wevers, M.; Seefeldt, M. | ||||
| Title | Multiscale investigation of quasi-brittle fracture characteristics in a 9Cr–1Mo ferritic–martensitic steel embrittled by liquid lead–bismuth under low cycle fatigue | Type | A1 Journal article | ||
| Year | 2016 | Publication | Corrosion science | Abbreviated Journal | |
| Volume | 102 | Issue |
102 | Pages | 137-152 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Liquid metal embrittlement (LME) induced quasi-brittle fracture characteristics of a 9Cr–1Mo ferritic–martensitic steel (T91) after fatigue cracking in lead–bismuth eutectic (LBE) have been investigated at various length scales. The results show that the LME fracture morphology is primarily characterized by quasi-brittle translath flat regions partially covered by nanodimples, shallow secondary cracks propagating along the martensitic lath boundaries as well as tear ridges covered by micro dimples. These diverse LME fracture features likely indicate a LME mechanism involving multiple physical processes, such as weakening induced interatomic decohesion at the crack tip and plastic shearing induced nano/micro voiding in the plastic zone. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000367275700014 | Publication Date | 2015-10-22 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0010938X | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | Times cited | 16 | Open Access | ||
| Notes | The work is financially supported by the MYRRHA project,SCK•CEN, Belgium and partly funded by the European AtomicEnergy Community’s (Euratom) Seventh Framework ProgrammeFP7/2007-2013 under grant agreement No. 604862 (MatISSEproject) and in the framework of the EERA (European EnergyResearch Alliance) Joint Programme on Nuclear Materials. Dr. TomVan der Donck (KU Leuven) is acknowledged for the EBSD mea-surements. The authors are grateful to Dr. Van Renterghem Wouter(SCK•CEN) for fruitful discussion of the TEM results. Xing Gongsincerely acknowledges valuable suggestions from Dr. S.P. Lynch(Defence Science and Technology Organisation and Monash Uni-versity, Melbourne, Australia). | Approved | Most recent IF: NA | ||
| Call Number | c:irua:129997 | Serial | 4013 | ||
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| Author | Quintana, M.; Grzelczak, M.; Spyrou, K.; Kooi, B.; Bals, S.; Van Tendeloo, G.; Rudolf, P.; Prato, M. | ||||
| Title | Production of large graphene sheets by exfoliation of graphite under high power ultrasound in the presence of tiopronin | Type | A1 Journal article | ||
| Year | 2012 | Publication | Chemical communications | Abbreviated Journal | Chem Commun |
| Volume | 48 | Issue |
100 | Pages | 12159-12161 |
| Keywords | A1 Journal article; Electron microscopy for materials research (EMAT) | ||||
| Abstract | Under ultrasonication, the production of high quality graphene layers by exfoliation of graphite was achieved via addition of tiopronin as an antioxidant. | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | London | Editor | ||
| Language | Wos | 000311411100003 | Publication Date | 2012-10-09 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-7345;1364-548X; | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 6.319 | Times cited | 39 | Open Access | |
| Notes | This work was financially supported by the University of Trieste, INSTM, Italian Ministry of Education MIUR (cofin Prot. 20085M27SS) and by the "Graphene-based electronics'' research program of the Foundation for Fundamental Research on Matter (FOM). Part of this work was supported by funding from the ERC grant No 246791COUNTATOMS. MQ acknowledges the financial support from CONACyT CB-2011-01-166914 and FAI-UASLP. | Approved | Most recent IF: 6.319; 2012 IF: 6.378 | ||
| Call Number | UA @ lucian @ c:irua:105230 | Serial | 2724 | ||
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| Author | Pollefeyt, G.; Meledin, A.; Pop, C.; Ricart, S.; Hühne, R.; Van Tendeloo, G.; Van Driessche, I. | ||||
| Title | Chemical stability of YBiO3 buffer layers for implementation in YBa2Cu3O7-δ coated conductors | Type | A1 Journal article | ||
| Year | 2015 | Publication | Acta materialia | Abbreviated Journal | Acta Mater |
| Volume | 100 | Issue |
100 | Pages | 224-231 |
| Keywords | A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT) | ||||
| Abstract | In this work, the chemical and microstructural stability of YBiO3 buffer layers during the growth of YBa2Cu3O7-δ (YBCO) was studied. The superconducting YBCO films were deposited via both Pulsed Laser Deposition as well as Chemical Solution Deposition. Although excellent superconducting properties are obtained in both cases, self-field critical current densities of 3.6 and 1.2 MA/cm2 respectively, chemical instability of the YBiO3 buffer layer is observed. An elaborate transmission electron microscopy study showed that in the case of vacuum deposited YBCO, the YBiO3 becomes unstable and Bi2O3 sublimates out of the architecture. Due to this structural instability, an intermediate Y2O3 layer is obtained which maintains it microstructural orientation relation with the substrate and acts as growth template for YBCO. For chemical solution deposited YBCO, reaction of YBCO with the YBiO3 buffer layer is observed, leading to large grains of YBa2BiO6 which are pushed towards the surface of the films and strongly reduce the superconducting properties. Upon using high growth temperatures for the superconducting layer, these secondary phases decompose, which subsequently leads to Bi2O3 sublimation and a textured YBCO film which directly nucleated onto the LaAlO3 single crystal substrate. Hence, this electron microscopy study indicates that bismuth-based buffer layers systems are not suitable for implementation in coated conductors. | ||||
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| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Editor | |||
| Language | Wos | 000362616400023 | Publication Date | 2015-08-29 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 1359-6454; | ISBN | Additional Links | UA library record; WoS full record | |
| Impact Factor | 5.301 | Times cited | Open Access | ||
| Notes | One of the authors (G.P.) would like to thank the Institute for the Promotion of Innovation through Science and Technology in Flanders (IWT) for funding. Part of this work was performed within the framework of the EuroTapes project (FP7-NMP.2011.2.2-1 Grant No. 280438), funded by the European Union. | Approved | Most recent IF: 5.301; 2015 IF: 4.465 | ||
| Call Number | c:irua:128757 | Serial | 3953 | ||
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| Author | Zhang, S.; Sahin, H.; Torun, E.; Peeters, F.; Martien, D.; DaPron, T.; Dilley, N.; Newman, N. | ||||
| Title | Fundamental mechanisms responsible for the temperature coefficient of resonant frequency in microwave dielectric ceramics | Type | A1 Journal article | ||
| Year | 2017 | Publication | Journal of the American Ceramic Society | Abbreviated Journal | J Am Ceram Soc |
| Volume | 100 | Issue |
100 | Pages | 1508-1516 |
| Keywords | A1 Journal article; Condensed Matter Theory (CMT) | ||||
| Abstract | The temperature coefficient of resonant frequency ((f)) of a microwave resonator is determined by three materials parameters according to the following equation: (f)=-(1/2 (epsilon) + 1/2 + (L)), where (L), (epsilon), and are defined as the linear temperature coefficients of the lattice constant, dielectric constant, and magnetic permeability, respectively. We have experimentally determined each of these parameters for Ba(Zn1/3Ta2/3)O-3, 0.8 at.% Ni-doped Ba(Zn1/3Ta2/3)O-3, and Ba(Ni1/3Ta2/3)O-3 ceramics. These results, in combination with density functional theory calculations, have allowed us to develop a much improved understanding of the fundamental physical mechanisms responsible for the temperature coefficient of resonant frequency, (f). | ||||
| Address | |||||
| Corporate Author | Thesis | ||||
| Publisher | Place of Publication | Columbus, Ohio | Editor | ||
| Language | Wos | 000399610800034 | Publication Date | 2017-02-14 | |
| Series Editor | Series Title | Abbreviated Series Title | |||
| Series Volume | Series Issue | Edition | |||
| ISSN | 0002-7820 | ISBN | Additional Links | UA library record; WoS full record; WoS citing articles | |
| Impact Factor | 2.841 | Times cited | 6 | Open Access | |
| Notes | ; ; | Approved | Most recent IF: 2.841 | ||
| Call Number | UA @ lucian @ c:irua:143682 | Serial | 4597 | ||
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