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Author |
Guzzinati, G.; Das, P.P.; Zompra, A., A.; Nicopoulos, S.; Verbeeck, J. |
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Title |
Electron energy loss spectra of several organic compounds |
Type |
Dataset |
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Year |
2020 |
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Keywords |
Dataset; Electron microscopy for materials research (EMAT) |
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Abstract  |
We placed crystals of different compounds to explore the possibility of fingerprinting them through EELS. Here are representative datasets of 7 different compounds: b-cyclodextrin hexacarboxy cyclohexane tannin TH-15 peptide TH-27 peptide two different forms of piroxicam The datasets were collected at EMAT, using a monochromated FEI Titan3 TEM, within the scope of an EUSMI request. More information as well as analysis methodologies adopted for the data are detailed in the paper: Das et al. “Reliable Characterization of Organic & Pharmaceutical Compounds with High Resolution Monochromated EEL Spectroscopy”, Polymers 2020, 12(7), 1434. |
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Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:180654 |
Serial |
6866 |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Carrier transport in a two-dimensional topological insulator nanoribbon in the presence of vacancy defects |
Type |
P1 Proceeding |
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Year |
2018 |
Publication |
International Conference on Simulation of Semiconductor Processes and Devices : [proceedings]
T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 24-26, 2018, Austin, TX |
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Pages |
92-96 |
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Keywords |
P1 Proceeding; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
We model transport through two-dimensional topological insulator (TI) nanoribbons. To model the quantum transport, we employ the non-equilibrium Green's function approach. With the presented approach, we study the effect of lattice imperfections on the carrier transport. We observe that the topologically protected edge states of TIs are robust against a high percentage (2%) of vacancy defects. We also investigate tunneling of the edge states in two decoupled TI nanoribbons. |
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000516619300024 |
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2018-12-08 |
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978-1-5386-6790-3; 1946-1577; 978-1-5386-6791-0 |
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no |
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Call Number |
UA @ admin @ c:irua:181281 |
Serial |
7579 |
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Author |
Menezes, R.M.; Sardella, E.; Cabral, L.R.E.; de Souza Silva, C.C. |
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Title |
Self-assembled vortex crystals induced by inhomogeneous magnetic textures |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Journal of physics : condensed matter |
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Volume |
31 |
Issue |
17 |
Pages |
175402 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the self-assembly of vortices in a type-II superconducting disk subjected to highly nonuniform confining potentials produced by inhomogeneous magnetic textures. Using a series of numerical experiments performed within the Ginzburg–Landau theory, we show that vortices can arrange spontaneously in highly nonuniform, defect-free crystals, reminiscent of conformal lattices, even though the strict conditions for the conformal crystal are not fulfilled. These results contradict continuum-limit theory, which predicts that the order of a nonuniform crystal is unavoidably frustrated by the presence of topological defects. By testing different cooling routes of the superconductor, we observed several different self-assembled configurations, each of which corresponding to one in a set of allowed conformal transformations, which depends on the magnetic and thermal histories of the system. |
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Publication Date |
2019-01-30 |
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ISSN |
0953-8984 |
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no |
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Call Number |
UA @ admin @ c:irua:191094 |
Serial |
8511 |
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Author |
Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B. |
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Title |
Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
3 |
Issue |
2 |
Pages |
024001 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially) diffusive edge scattering to ribbons with large width variations and nanoribbons with atomistic edge roughness. For the latter, we introduce an approach based on pseudopotentials, allowing for an atomistic treatment of the band structure and the scattering potential, on the self-consistent solution of the Boltzmann transport equation within the relaxation-time approximation and taking into account the edge-roughness properties and statistics. The resulting resistivity depends strongly on the ribbon orientation, with zigzag (armchair) ribbons showing the smallest (largest) resistivity and intermediate ribbon orientations exhibiting intermediate resistivity values. The results also show clear resistivity peaks, corresponding to peaks in the density of states due to the confinement-induced subband quantization, except for armchair-edge ribbons that show a very strong width dependence because of their claromatic behavior. Furthermore, we identify a strong interplay between the relative position of the two valleys of graphene along the transport direction, the correlation profile of the atomistic edge roughness, and the chiral valley modes, leading to a peculiar strongly suppressed resistivity regime, most pronounced for the zigzag orientation. |
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Wos |
000458161800001 |
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2019-02-06 |
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ISSN |
2475-9953 |
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UA library record; WoS full record; WoS citing articles |
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Times cited |
4 |
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Notes |
; We acknowledge the Research Foundation – Flanders (FWO) for supporting K.M.'s research visit at the University of Texas at Dallas, as well as the support by the National Research Fund Luxembourg (FNR) with ATTRACT Grant No. 7556175. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:157499 |
Serial |
5235 |
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Author |
Clima, S.; McMitchell, S.R.C.; Florent, K.; Nyns, L.; Popovici, M.; Ronchi, N.; Di Piazza, L.; Van Houdt, J.; Pourtois, G. |
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Title |
First-principles perspective on poling mechanisms and ferroelectric/antiferroelectric behavior of Hf1-xZrxO2 for FEFET applications |
Type |
P1 Proceeding |
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Year |
2018 |
Publication |
2018 Ieee International Electron Devices Meeting (iedm) |
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Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We investigate at the atomic level the most probable phase transformations under strain, that are responsible for the ferroelectric/ antiferroelectric behavior in Hf1-xZrxO2 materials. Four different crystalline phase transformations exhibit a polar/non-polar transition: monoclinic-to-orthorhombic requires a gliding strain tensor, orthorhombic-to-orthorhombic transformation does not need strain to polarize the material, whereas tetragonal-to-cubic cell compression and tetragonal-to-orthorhombic cell elongation destabilizes the non-polar tetragonal phase, facilitating the transition towards a polar atomic configuration, therefore changing the polarization-electric field loop from antiferroelectric to ferroelectric. Oxygen vacancies can reduce drastically the polarization reversal barriers. |
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000459882300073 |
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978-1-72811-987-8; 978-1-72811-987-8 |
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UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:158693 |
Serial |
7972 |
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Author |
Schneidewind, U.; van Berkel, M.; Anibas, C.; Vandersteen, G.; Schmidt, C.; Joris, I.; Seuntjens, P.; Batelaan, O.; Zwart, H.J. |
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Title |
LPMLE3: A novel 1-D approach to study water flow in streambeds using heat as a tracer |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Water resources research |
Abbreviated Journal |
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Volume |
52 |
Issue |
8 |
Pages |
6596-6610 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
We introduce LPMLE3, a new 1-D approach to quantify vertical water flow components at streambeds using temperature data collected in different depths. LPMLE3 solves the partial differential equation for coupled water flow and heat transport in the frequency domain. Unlike other 1-D approaches it does not assume a semi-infinite halfspace with the location of the lower boundary condition approaching infinity. Instead, it uses local upper and lower boundary conditions. As such, the streambed can be divided into finite subdomains bound at the top and bottom by a temperature-time series. Information from a third temperature sensor within each subdomain is then used for parameter estimation. LPMLE3 applies a low order local polynomial to separate periodic and transient parts (including the noise contributions) of a temperature-time series and calculates the frequency response of each subdomain to a known temperature input at the streambed top. A maximum-likelihood estimator is used to estimate the vertical component of water flow, thermal diffusivity, and their uncertainties for each streambed subdomain and provides information regarding model quality. We tested the method on synthetic temperature data generated with the numerical model STRIVE and demonstrate how the vertical flow component can be quantified for field data collected in a Belgian stream. We show that by using the results in additional analyses, nonvertical flow components could be identified and by making certain assumptions they could be quantified for each subdomain. LPMLE3 performed well on both simulated and field data and can be considered a valuable addition to the existing 1-D methods. |
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000383684400051 |
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2016-08-05 |
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ISSN |
0043-1397; 0043-137x |
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UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:144678 |
Serial |
8189 |
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Author |
Gielis, J.; Natalini, P.; Ricci, P.E. |
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Title |
A note about generalized forms of the Gielis formula |
Type |
H1 Book chapter |
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Year |
2017 |
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Volume |
2 |
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Pages |
107-116
T2 - Modeling in mathematics : proceedings |
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Keywords |
H1 Book chapter; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
We generalize the Gielis Superformula by extending the R. Chacon approach, but avoiding the use of Jacobi elliptic functions. The obtained results are extended to the three-dimensional case. Several new shapes are derived by using the computer algebra system Mathematica(C). |
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000442076400008 |
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2017-04-20 |
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ISBN |
978-94-6239-260-1; 978-94-6239-261-8; 2543-0300; 978-94-6239-260-1 |
Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:144550 |
Serial |
8318 |
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Author |
Adelmann, C.; Sankaran, K.; Dutta, S.; Gupta, A.; Kundu, S.; Jamieson, G.; Moors, K.; Pinna, N.; Ciofi, I.; Van Elshocht, S.; Bommels, J.; Boccardi, G.; Wilson, C.J.; Pourtois, G.; Tokei, Z. |
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Title |
Alternative Metals: from ab initio Screening to Calibrated Narrow Line Models |
Type |
P1 Proceeding |
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Year |
2018 |
Publication |
Proceedings of the IEEE ... International Interconnect Technology Conference
T2 – IEEE International Interconnect Technology Conference (IITC), JUN 04-07, 2018, Santa Clara, CA |
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Pages |
154-156 |
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Keywords |
P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT) |
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Abstract |
We discuss the selection and assessment of alternative metals by a combination of ab initio computation of electronic properties, experimental resistivity assessments, and calibrated line resistance models. Pt-group metals as well as Nb are identified as the most promising elements, with Ru showing the best combination of material properties and process maturity. An experimental assessment of the resistivity of Ru, Ir, and Co lines down to similar to 30 nm(2) is then used to devise compact models for line and via resistance that can be compared to Cu predictions. The main advantage of alternative metals originates from the possibility for barrierless metallization. |
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Wos |
000468672900051 |
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2018-09-06 |
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Abbreviated Series Title |
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Edition |
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ISSN |
978-1-5386-4337-2; 978-1-5386-4337-2 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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no |
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Call Number |
UA @ admin @ c:irua:160473 |
Serial |
7436 |
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Author |
Rather, J.A.; Pilehvar, S.; De Wael, K. |
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Title |
Polycyclodextrin and carbon nanotubes as composite for tyrosinase immobilization and its superior electrocatalytic activity towards butylparaben an endocrine disruptor |
Type |
A1 Journal article |
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Year |
2015 |
Publication |
Journal of nanoscience and nanotechnology |
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Volume |
15 |
Issue |
5 |
Pages |
3365-3372 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
We developed a protocol for the immobilization of tyrosinase (Tyr) on the composite of polycyclodextrin polymer (CDP) and carbon nanotubes for the detection of an endocrine disruptor, i.e., butylparaben (BP). The formation of the CDP polymer was characterized by UV-Vis spectrophotometry. The conducting film of cross-linked CDP and carbon nanotubes, displays excellent matrix capabilities for Tyr immobilization. The host-guest chemical reaction ability of CD and the ππ stacking interaction assure the bioactivity of Tyr towards butylparaben. The developed biosensor was characterized electrochemically by electrochemical impedance spectroscopy. The enzyme-substrate kinetic parameters such as the apparent Michaelis-Menten constant (K M app) was measured under saturated substrate concentration. The determination of butylparaben was carried out by using square wave voltammetry over the concentration range of 2.1 to 35.4 μM with a detection limit of 0.1 μM. The fabricated biosensor was successfully applied in real-life cosmetic samples with good recovery ranging from 98.5 to 102.8%. |
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Wos |
000347435200007 |
Publication Date |
2014-10-01 |
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Abbreviated Series Title |
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Edition |
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ISSN |
1533-4899 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
3 |
Open Access |
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Notes |
; The authors are highly thankful for the mobility grant (Non-Europe Postdoc Fellowship) for one of the author (Jahangir Ahmad Rather) supported by the Belgian Federal Science Policy (Belspo) co-funded by the Marie Curie Actions from the European Commission. Sanaz Pilehvar is funded by BOF-DOCPRO UA. ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:119550 |
Serial |
5776 |
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Author |
Tiwari, S.; Vanherck, J.; Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B. |
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Title |
Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical review research |
Abbreviated Journal |
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Volume |
3 |
Issue |
4 |
Pages |
043024 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with high accuracy that works for all common 2D lattice types. First, we study the effect of exchange anisotropy on the Curie temperature calculated using the Monte Carlo (MC), the Green's function, and the renormalized spin-wave (RNSW) methods. We find that the Green's function method overestimates the Curie temperature in high-anisotropy regimes compared to the MC method, whereas the RNSW method underestimates the Curie temperature compared to the MC and the Green's function methods. Next, we propose a closed-form formula for calculating the Curie temperature of 2D FMs, which provides an estimate of the Curie temperature that is greatly improved over the mean-field expression for magnetic material screening. We apply the closed-form formula to predict the Curie temperature 2D magnets screened from the C2DB database and discover several high Curie temperature FMs, with Fe2F2 and MoI2 emerging as the most promising 2D ferromagnets. Finally, by comparing to experimental results for CrI3, CrCl3, and CrBr3, we conclude that for small effective anisotropies, the Green's-function-based equations are preferable, while for larger anisotropies, MC-based results are more predictive. |
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Wos |
000707506500001 |
Publication Date |
2021-10-11 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:182522 |
Serial |
6975 |
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Author |
Moors, K.; Soree, B.; Tokei, Z.; Magnus, W. |
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Title |
Electron relaxation times and resistivity in metallic nanowires due to tilted grain boundary planes |
Type |
P1 Proceeding |
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Year |
2015 |
Publication |
On Ultimate Integration On Silicon (eurosoi-ulis) |
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Volume |
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Pages |
201-204 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We calculate the resistivity contribution of tilted grain boundaries with varying parameters in sub-10nm diameter metallic nanowires. The results have been obtained with the Boltzmann transport equation and Fermi's golden rule, retrieving correct state-dependent relaxation times. The standard approximation schemes for the relaxation times are shown to fail when grain boundary tilt is considered. Grain boundaries tilted under the same angle or randomly tilted induce a resistivity decrease. |
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Ieee |
Place of Publication |
New york |
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Abbreviated Series Title |
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ISSN |
978-1-4799-6911-1 |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ lucian @ c:irua:144776 |
Serial |
4651 |
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| Permanent link to this record |
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Author |
Deylgat, E.; Chen, E.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Quantum transport study of contact resistance of edge- and top-contacted two-dimensional materials |
Type |
P1 Proceeding |
| |
Year |
2023 |
Publication |
International Conference on Simulation of Semiconductor Processes and Devices : [proceedings]
T2 – International Conference on Simulation of Semiconductor Processes and, Devices (SISPAD), SEP 27-29, 2023, Kobe, Japan |
Abbreviated Journal |
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Volume |
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Issue |
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Pages |
45-48 |
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Keywords |
P1 Proceeding; Condensed Matter Theory (CMT) |
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Abstract |
We calculate the contact resistance for an edge- and top-contacted 2D semiconductor. The contact region consists of a metal contacting a monolayer of MoS2 which is otherwise surrounded by SiO2. We use the quantum transmitting boundary method to compute the contact resistance as a function of the 2D semiconductor doping concentration. An effective mass Hamiltonian is used to describe the properties of the various materials. The electrostatic potentials are obtained by solving the Poisson equation numerically. We incorporate the effects of the image-force barrier lowering on the Schottky barrier and examine the impact on the contact resistance. At low doping concentrations, the contact resistance of the top contact is lower compared to edge contact, while at high doping concentrations, the edge contact exhibits lower resistance. |
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Wos |
001117703800012 |
Publication Date |
2023-11-20 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
978-4-86348-803-8 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:202839 |
Serial |
9079 |
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| Permanent link to this record |
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Author |
Margui, E.; Hidalgo, M.; Queralt, I.; van Meel, K.; Fontas, C. |
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Title |
Analytical capabilities of laboratory, benchtop and handheld X-ray fluorescence systems for detection of metals in aqueous samples pre-concentrated with solid-phase extraction disks |
Type |
A1 Journal article |
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Year |
2012 |
Publication |
Spectrochimica acta: part B : atomic spectroscopy |
Abbreviated Journal |
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Volume |
67 |
Issue |
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Pages |
17-23 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
We aimed to achieve improved instrumental sensitivity and detection limits for the analysis of several elements (Cu, Ni, Zn, Pb and Cd) in aqueous samples with energy dispersive X-ray fluorescence spectrometry (EDXRF). The metals were pre-concentrated from aqueous solutions using commercially available organic-based solid-phase extraction (SPE) disks functionalized with iminodiacetate groups. These thin-layer organic materials provide an ideal support for XRF analysis. The elements were collected on the SPE extraction disks using a simple filtration procedure (starting with 1 L of aqueous sample) that allows direct XRF measurements to be performed in the field (in situ). We evaluated the analytical possibilities and drawbacks of using this pre-concentration procedure in combination with the following XRF configurations: a handheld unit, a benchtop EDXRF system and a high-energy polarized-beam EDXRF instrument (HE-P-EDXRF). Using the HE-P-EDXRF system, the detection limits for all metals were more than one order of magnitude lower than those attained using handheld and benchtop EDXRF instrumentation. For the detection of metal concentrations higher than similar to 20 mu g/L, however, handheld or benchtop systems remain a very good option due to their extreme simplicity of operation and low-cost, compact design. We demonstrate the application of these methodologies, using the three equipment systems, to the analysis of trace concentrations of metals in different types of aqueous samples, including tap water and waste water. (C) 2011 Elsevier B.V. All rights reserved. |
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Wos |
000302757200003 |
Publication Date |
2011-12-19 |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0584-8547; 1873-3565 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:98338 |
Serial |
7454 |
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| Permanent link to this record |
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Author |
Meerburg, F.A.; Boon, N.; Van Winckel, T.; Pauwels, K.T.G.; Vlaeminck, S.E. |
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Title |
Live Fast, Die Young: Optimizing Retention Times in High-Rate Contact Stabilization for Maximal Recovery of Organics from Wastewater |
Type |
A1 Journal article |
| |
Year |
2016 |
Publication |
Environmental science and technology |
Abbreviated Journal |
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Volume |
50 |
Issue |
17 |
Pages |
9781-9790 |
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Keywords |
A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Wastewater is typically treated by the conventional activated sludge process, which suffers from an inefficient overall energy balance. The high-rate contact stabilization (HiCS) has been proposed as a promising primary treatment technology with which to maximize redirection of organics to sludge for subsequent energy recovery. It utilizes a feast famine cycle to select for bioflocculation, intracellular storage, or both. We optimized the HiCS process for organics recovery and characterized different biological pathways of organics removal and recovery. A total of eight HiCS reactors were operated at 15 degrees C at short solids retention times (SRT; 0.24-2.8 days), hydraulic contact times (t(c); 8 and 15 min), and stabilization times (t(s); 15 and 40 min). At an optimal SRT between 0.5 and 1.3 days and t(c) of 15 min and t(s) of 40 min, the HiCS system oxidized only 10% of influent chemical oxygen demand (COD) and recovered up to 55% of incoming organic matter into sludge. Storage played a minor role in the overall COD removal, which was likely dominated by aerobic biomass growth, bioflocculation onto extracellular polymeric substances, and settling. The HiCS process recovers enough organics to potentially produce 28 kWh of electricity per population equivalent per year by anaerobic digestion and electricity generation. This inspires new possibilities for energy-neutral wastewater treatment. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
000382805800097 |
Publication Date |
2016-08-02 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0013-936x; 1520-5851 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:138270 |
Serial |
8176 |
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| Permanent link to this record |
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Author |
Alemam, E. |
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Title |
Cleaning of wall paintings by Polyvinyl alcohol–Borax/Agarose (PVA–B/AG) double network hydrogels : characterization, assessment, and applications |
Type |
Doctoral thesis |
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Year |
2021 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
184 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS) |
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Abstract |
Wall paintings make up an important section of cultural heritage. They resemble time portals that can be used to travel back into the past and witness the life of our ancestors. In these paintings, the ancient artists depicted the different aspects of their life, such as cooking, baking, farming, manufacturing, as well as thoughts and beliefs. Unfortunately, wall paintings are susceptible to degradation over time in the form of the accumulations of dirt and deposits on the painted surfaces and loss of adhesion of the paint layers at the surface. Therefore, the removal of these deposits is one of the primary duties of conservator-restorers. Such operations are intended to restore the painted surface to a condition close enough to its original state. Since cleaning artworks may cause undesirable physicochemical alterations and is nonreversible, the proper cleaning procedure should be adopted. In this regard, numerous gels have been developed and exploited for the cleaning of various artwork surfaces. Lately, polyvinyl alcohol-borax (PVA-B) and agarose (AG) hydrogels have been widely employed as cleaning materials by conservator-restorers. However, both hydrogels have shown limitations in specific cleaning practices. In this work, we investigated a new double network hydrogel based on blending PVA-B and agarose to avoid the limitations posed by the constituting hydrogels. For this reason, a detailed characterization of the PVA–B/AG double network hydrogel was performed, including chemical structure, liquid phase retention, mechanical strength, rheological behavior, and self-healing behavior of various PVA-B/AG hydrogels. These new hydrogels revealed better properties than PVA-B and agarose hydrogels and obviated their limitations. A laboratory experiment on the removal of deteriorated Paraloid® B72 proved that the PVA-B/AG hydrogel loaded 10%/10% MEK/1-PeOH was able to remove these layers efficiently. Therefore, the hydrogel was tested on a wall painting from the Temple of Seti I in Abydos – Egypt. It removed the glossy/darkened consolidant from the wall painting and restored the original matt appearance of the painted surface. In another application on the painted ceiling of the same temple, the hydrogel was tested for removing thick soot layers. The hydrogel formulation (loaded with 5% ammonia, 0.3% ammonium carbonate, and 0.3% EDTA) removed these layers with no noticeable damage to the paint layers. In a wide-scale application of the hydrogel (loaded with 10% propylene carbonate), it removed a highly deteriorated varnish layer from a 19-c wall painting. All the traditional cleaning methods employed caused damage to the paint layers, proving that gel cleaning can be a safer cleaning alternative in some cases. |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:183381 |
Serial |
7671 |
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| Permanent link to this record |
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Author |
Kulkarni, S.; Gonzalez-Quiroga, A.; Nuñez, M.; Schuerewegen, C.; Perreault, P.; Goel, C.; Heynderickx, G.J.; Van Geem, K.M.; Marin, G.B. |
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Title |
An experimental and numerical study of the suppression of jets, counterflow, and backflow in vortex units |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
AIChE journal |
Abbreviated Journal |
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Volume |
65 |
Issue |
8 |
Pages |
e16614-13 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Vortex units are commonly considered for various single and multiphase applications due to their process intensification capabilities. The transition from gas‐only flow to gas–solid flow remains largely unexplored nonetheless. During this transition, primary flow phenomenon, jets, and secondary flow phenomena, counterflow and backflow, are substantially reduced, before a rotating solids bed is established. This transitional flow regime is referred to as the vortex suppression regime. In the present work, this flow transition is identified and validated through experimental and computational studies in two vortex units with a scale differing by a factor of 2, using spherical aluminum and alumina particles. This experimental data supports the proposed theoretical particle monolayer solids loading that allows estimation of vortex suppression regime solids capacity for any vortex unit. It is shown that the vortex suppression regime is established at a solids loading theoretically corresponding to a monolayer being formed in the unit for 1g‐Geldart D‐ and 1g‐Geldart B‐type particles. The model closely agrees with experimental vortex suppression range for both aluminum and alumina particles. The model, as well as the experimental data, shows that the flow suppression regime depends on unit dimensions, particle diameter, and particle density but is independent of gas flow rate. This combined study, based on experimental and computational data and on a theoretical model, reveals the vortex suppression to be one of the basic operational parameters to study flow in a vortex unit and that a simple monolayer model allows to estimate the needed solids loading for any vortex device to induce this flow transition. |
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Wos |
000474620800026 |
Publication Date |
2019-04-19 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0001-1541 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:162121 |
Serial |
7945 |
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Author |
Centeno, S.A.; Hale, C.; Caro, F.; Cesaratto, A.; Shibayama, N.; Delaney, J.; Dooley, K.; van der Snickt, G.; Janssens, K.; Stein, S.A. |
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Title |
Van Gogh's Irises and Roses : the contribution of chemical analyses and imaging to the assessment of color changes in the red lake pigments |
Type |
A1 Journal article |
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Year |
2017 |
Publication |
Heritage science |
Abbreviated Journal |
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Volume |
5 |
Issue |
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Pages |
18 |
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Keywords |
A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Vincent van Gogh's still lifes Irises and Roses were investigated to shed light onto the degree to which the paintings had changed, both individually and in relation to each other since they were painted, particularly in regard to the fading of the red lakes. Non-invasive techniques, including macroscopic X-ray fluorescence mapping, reflectance imaging spectroscopy, and X-radiography, were combined with microanalytical techniques in a select number of samples. The in-depth microchemical analysis was necessary to overcome the complications that arise when evaluating by non-invasive methods alone the compositions of passages with complex layering and mixing of paints. The results obtained by these two approaches were complemented by color measurements performed on paint cross-sections and on protected edges, and with historical information provided by the artist's own descriptions, early reviews and reproductions, and the data was used to carry out digital color simulations that provided, to a certain extent, a visualization of how the paintings may have originally appeared. |
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Place of Publication |
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Language |
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Wos |
000401365400001 |
Publication Date |
2017-04-21 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2050-7445 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
21 |
Open Access |
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Notes |
; ; |
Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:143748 |
Serial |
5903 |
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Author |
Shi, W.; Pandey, T.; Lindsay, L.; Woods, L.M. |
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Title |
Vibrational properties and thermal transport in quaternary chalcogenides : the case of Te-based compositions |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
Physical review materials |
Abbreviated Journal |
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Volume |
5 |
Issue |
4 |
Pages |
045401 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Vibrational thermal properties of CuZn2InTe4, AgZn2InTe4, and Cu2CdSnTe4, derived from binary II-VI zinc-blendes, are reported based on first-principles calculations. While the chalcogenide atoms in these materials have the same lattice positions, the cation atom arrangements vary, resulting in different crystal symmetries and subsequent properties. The compositional differences have important effects on the vibrational thermal characteristics of the studied materials, which demonstrate that low-frequency optical phonons hybridize with acoustic phonons and lead to enhanced phonon-phonon scattering and low lattice thermal conductivities. The phonon density of states, mode Gruneisen parameters, and phonon scattering rates are also calculated, enabling deeper insight into the microscopic thermal conduction processes in these materials. Compositional variations drive differences among the three materials considered here; nonetheless, their structural similarities and generally low thermal conductivities (0.5-4 W/mK at room temperature) suggest that other similar II-VI zinc-blende derived materials will also exhibit similarly low values, as also corroborated by experimental data. This, combined with the versatility in designing a variety of motifs on the overall structure, makes quaternary chalcogenides interesting for thermal management and energy conversion applications that require low thermal conductivity. |
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Wos |
000655931400005 |
Publication Date |
2021-04-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2475-9953 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:179140 |
Serial |
7045 |
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| Permanent link to this record |
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Author |
Bafekry, A.; Shahrokhi, M.; Shafique, A.; Jappor, H.R.; Fadlallah, M.M.; Stampfl, C.; Ghergherehchi, M.; Mushtaq, M.; Feghhi, S.A.H.; Gogova, D. |
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Title |
Semiconducting chalcogenide alloys based on the (Ge, Sn, Pb) (S, Se, Te) formula with outstanding properties : a first-principles calculation study |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
ACS Omega |
Abbreviated Journal |
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Volume |
6 |
Issue |
14 |
Pages |
9433-9441 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Very recently, a new class of the multicationic and -anionic entropy-stabilized chalcogenide alloys based on the (Ge, Sn, Pb) (S, Se, Te) formula has been successfully fabricated and characterized experimentally [Zihao Deng et al., Chem. Mater. 32, 6070 (2020)]. Motivated by the recent experiment, herein, we perform density functional theory-based first-principles calculations in order to investigate the structural, mechanical, electronic, optical, and thermoelectric properties. The calculations of the cohesive energy and elasticity parameters indicate that the alloy is stable. Also, the mechanical study shows that the alloy has a brittle nature. The GeSnPbSSeTe alloy is a semiconductor with a direct band gap of 0.4 eV (0.3 eV using spin-orbit coupling effect). The optical analysis illustrates that the first peak of Im(epsilon) for the GeSnPbSSeTe alloy along all polarization directions is located in the visible range of the spectrum which renders it a promising material for applications in optical and electronic devices. Interestingly, we find an optically anisotropic character of this system which is highly desirable for the design of polarization-sensitive photodetectors. We have accurately predicted the thermoelectric coefficients and have calculated a large power factor value of 3.7 x 10(11) W m(-1) K-2 s(-1) for p-type. The high p-type power factor is originated from the multiple valleys near the valence band maxima. The anisotropic results of the optical and transport properties are related to the specific tetragonal alloy unit cell. |
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Place of Publication |
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Wos |
000640649500012 |
Publication Date |
2021-03-30 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2470-1343 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:178395 |
Serial |
7017 |
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Author |
Grunert, O.; Reheul, D.; Van Labeke, M.-C.; Perneel, M.; Hernandez-Sanabria, E.; Vlaeminck, S.E.; Boon, N. |
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Title |
Growing media constituents determine the microbial nitrogen conversions in organic growing media for horticulture |
Type |
A1 Journal article |
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Year |
2016 |
Publication |
Microbial Biotechnology |
Abbreviated Journal |
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Volume |
9 |
Issue |
3 |
Pages |
389-399 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL) |
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Abstract |
Vegetables and fruits are an important part of a healthy food diet, however, the eco-sustainability of the production of these can still be significantly improved. European farmers and consumers spend an estimated Euro15.5 billion per year on inorganic fertilizers and the production of N-fertilizers results in a high carbon footprint. We investigated if fertilizer type and medium constituents determine microbial nitrogen conversions in organic growing media and can be used as a next step towards a more sustainable horticulture. We demonstrated that growing media constituents showed differences in urea hydrolysis, ammonia and nitrite oxidation and in carbon dioxide respiration rate. Interestingly, mixing of the growing media constituents resulted in a stimulation of the function of the microorganisms. The use of organic fertilizer resulted in an increase in amoA gene copy number by factor 100 compared to inorganic fertilizers. Our results support our hypothesis that the activity of the functional microbial community with respect to nitrogen turnover in an organic growing medium can be improved by selecting and mixing the appropriate growing media components with each other. These findings contribute to the understanding of the functional microbial community in growing media and its potential role towards a more responsible horticulture. |
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Language |
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Wos |
000374662600009 |
Publication Date |
2016-03-23 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1751-7907 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:133617 |
Serial |
8013 |
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Author |
Gebrehiwot, N.T.; Azadi, H.; Taheri, F.; Van Passel, S. |
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Title |
How participation in vegetables market affects livelihoods : empirical evidence from Northern Ethiopia |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Journal of international food and agribusiness marketing |
Abbreviated Journal |
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Volume |
30 |
Issue |
2 |
Pages |
107-131 |
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Keywords |
A1 Journal article; Economics; Engineering Management (ENM) |
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Abstract |
Vegetable farmers face a number of challenges in marketing. Having first-hand information about vegetable marketing is essential to devise appropriate strategies aimed at enhancing the value of the vegetable chain. It was in line with this view that the study was conducted to characterize vegetable markets in Northern Ethiopia. In an effort to identify the factors influencing vegetable marketing among farmers, data were collected from 283 farm households who were selected using stratified random sampling. Furthermore, the data were triangulated through focus group discussion (FGD) and key informant interviews. Descriptive statistics and the binary logistic regression model were used to identify the variables and test the probability of their influence in regard to farmers decisions in vegetable marketing. From the 13 explanatory variables included in the binary logistic regression model, six predictors were found to be statistically significant in determining the effects of participation decision on vegetable market. These variables are as follows: household family size, total land holding of the household, amount of vegetable produced and marketed, use of irrigation technologies, contact with extension agents, and access to market information. Relying on a survey result and observations, the findings of the study indicated that vegetable marketing is significantly improving the livelihood of smallholder producers. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2017-12-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0897-4438 |
ISBN |
|
Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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| |
Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:154141 |
Serial |
6210 |
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| Permanent link to this record |
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Author |
Kandemir, A.; Ozden, A.; Cagin, T.; Sevik, C. |
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| |
Title |
Thermal conductivity engineering of bulk and one-dimensional Si-Ge nanoarchitectures |
Type |
A1 Journal article |
| |
Year |
2017 |
Publication |
Science and technology of advanced materials |
Abbreviated Journal |
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| |
Volume |
18 |
Issue |
1 |
Pages |
187-196 |
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| |
Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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| |
Abstract |
Various theoretical and experimental methods are utilized to investigate the thermal conductivity of nanostructured materials; this is a critical parameter to increase performance of thermoelectric devices. Among these methods, equilibrium molecular dynamics (EMD) is an accurate technique to predict lattice thermal conductivity. In this study, by means of systematic EMD simulations, thermal conductivity of bulk Si-Ge structures (pristine, alloy and superlattice) and their nanostructured one dimensional forms with square and circular cross-section geometries (asymmetric and symmetric) are calculated for different crystallographic directions. A comprehensive temperature analysis is evaluated for selected structures as well. The results show that one-dimensional structures are superior candidates in terms of their low lattice thermal conductivity and thermal conductivity tunability by nanostructuring, such as by diameter modulation, interface roughness, periodicity and number of interfaces. We find that thermal conductivity decreases with smaller diameters or cross section areas. Furthermore, interface roughness decreases thermal conductivity with a profound impact. Moreover, we predicted that there is a specific periodicity that gives minimum thermal conductivity in symmetric superlattice structures. The decreasing thermal conductivity is due to the reducing phonon movement in the system due to the effect of the number of interfaces that determine regimes of ballistic and wave transport phenomena. In some nanostructures, such as nanowire superlattices, thermal conductivity of the Si/Ge system can be reduced to nearly twice that of an amorphous silicon thermal conductivity. Additionally, it is found that one crystal orientation, <100>, is better than the <111> crystal orientation in one-dimensional and bulk SiGe systems. Our results clearly point out the importance of lattice thermal conductivity engineering in bulk and nanostructures to produce high-performance thermoelectric materials. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000405949800001 |
Publication Date |
2017-03-13 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
1468-6996; 1878-5514 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:193772 |
Serial |
8662 |
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| Permanent link to this record |
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Author |
Leysen, L.; Roekens, E.; Komy, Z.; Van Grieken, R. |
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Title |
A study of the weathering of an historic building |
Type |
A1 Journal article |
| |
Year |
1987 |
Publication |
Analytica chimica acta |
Abbreviated Journal |
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| |
Volume |
195 |
Issue |
|
Pages |
247-255 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Various bulk and surface analytical techniques were used to study the chemical deterioration of the 13th-to-15th century limestone cathedral in Mechelen, Belgium. The weathering crust on the walls was found to be rich in sulfate, regardless of the geographic orientation. Nitrate and chloride were only detected in minor amounts in the crust and run-off samples. Attack by gaseous sulfur compounds seems to play a dominant role in the stone deterioration mechanism. Electron microprobe analysis showed predominantly bar-shaped gypsum crystals in the crust, and laser microprobe mass spectrometry showed that carbon seems to be responsible for the blackness of most crust samples. Automated electron microprobe analysis also indicated significant differences in the analytical composition of suspensions in run-off water and in rain-water. |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
A1987K019500022 |
Publication Date |
2002-07-25 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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| |
ISSN |
0003-2670; 1873-4324 |
ISBN |
|
Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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| |
Call Number |
UA @ admin @ c:irua:116446 |
Serial |
8608 |
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| Permanent link to this record |
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Author |
Vermeulen, B.B.; Raymenants, E.; Pham, V.T.; Pizzini, S.; Sorée, B.; Wostyn, K.; Couet, S.; Nguyen, V.D.; Temst, K. |
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Title |
Towards fully electrically controlled domain-wall logic |
Type |
A1 Journal article |
| |
Year |
2024 |
Publication |
AIP advances |
Abbreviated Journal |
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| |
Volume |
14 |
Issue |
2 |
Pages |
025030-25035 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Utilizing magnetic tunnel junctions (MTJs) for write/read and fast spin-orbit-torque (SOT)-driven domain-wall (DW) motion for propagation, enables non-volatile logic and majority operations, representing a breakthrough in the implementation of nanoscale DW logic devices. Recently, current-driven DW logic gates have been demonstrated via magnetic imaging, where the Dzyaloshinskii-Moriya interaction (DMI) induces chiral coupling between perpendicular magnetic anisotropy (PMA) regions via an in-plane (IP) oriented region. However, full electrical operation of nanoscale DW logic requires electrical write/read operations and a method to pattern PMA and IP regions compatible with the fabrication of PMA MTJs. Here, we study the use of a Hybrid Free Layer (HFL) concept to combine an MTJ stack with DW motion materials, and He+ ion irradiation to convert the stack from PMA to IP. First, we investigate the free layer thickness dependence of 100-nm diameter HFL-MTJ devices and find an optimal CoFeB thickness, from 7 to 10 angstrom, providing high tunneling magnetoresistance (TMR) readout and efficient spin-transfer torque (STT) writing. We then show that high DMI materials, like Pt/Co, can be integrated into an MTJ stack via interlayer exchange coupling with the CoFeB free layer. In this design, DMI values suitable for SOT-driven DW motion are measured by asymmetric bubble expansion. Finally, we demonstrate that He+ irradiation reliably converts the coupled free layers from PMA to IP. These findings offer a path toward the integration of fully electrically controlled DW logic circuits. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
001163573400005 |
Publication Date |
2024-02-16 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2158-3226 |
ISBN |
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Additional Links |
UA library record; WoS full record |
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Impact Factor |
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Times cited |
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Open Access |
Not_Open_Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:203823 |
Serial |
9109 |
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| Permanent link to this record |
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Author |
Hasnat Rubel, A. |
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Title |
Theoretical characterization and optimization of nano-engineered superconducting scanning probe tip |
Type |
Doctoral thesis |
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Year |
2023 |
Publication |
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Abbreviated Journal |
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Volume |
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Issue |
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Pages |
viii, 145 p. |
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Keywords |
Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using state-of-the-art simulation methods, we optimized the performance of nanoscale superconducting scanning probe tips for advanced spatial imaging of magnetic fields. The systematic studies of the tips’ static properties as a function of the tilted magnetic field, geometric parameters, and material parameters were carried out. The sensitivity of different superconducting quantum interference devices (SQUIDs) to the magnetic field emanating from the magnetic nanoparticle, where the location of a magnetic nanoparticle is considered below the primary loop's center, was examined as a function of the primary and secondary loop dimensions. The main objective of the research was to characterize and optimize the performance of a nano-sized SQUID-on-tip (SOT) device. Optimal SOT sensitivity was sought, for different loop sizes, arm linewidth, and lead dimensions. Moreover, we revealed that a constriction in the loop arms of the SOT can substantially improve the sensitivity of the device. Finally, the properties of the theta-SOT device were examined in the presence of in-plane and out-of-plane magnetic field components, enabling nanoscale imaging of 3D distributions of the magnetic field. Altogether, the obtained results deliver an engineering solution for the optimum performance of the SOT device in desired conditions. |
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Corporate Author |
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Place of Publication |
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Wos |
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Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
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ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:199494 |
Serial |
8942 |
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| Permanent link to this record |
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Author |
Sanchez-Barriga, J.; Aguilera, I.; Yashina, L., V; Tsukanova, D.Y.; Freyse, F.; Chaika, A.N.; Callaert, C.; Abakumov, A.M.; Hadermann, J.; Varykhalov, A.; Rienks, E.D.L.; Bihlmayer, G.; Blugel, S.; Rader, O. |
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Title |
Anomalous behavior of the electronic structure of (Bi1-xInx)2Se3across the quantum phase transition from topological to trivial insulator |
Type |
A1 Journal article |
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Year |
2018 |
Publication |
Physical review B |
Abbreviated Journal |
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Volume |
98 |
Issue |
23 |
Pages |
235110 |
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Keywords |
A1 Journal article; Electron microscopy for materials research (EMAT) |
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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. |
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Address |
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Corporate Author |
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Thesis |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000452322800003 |
Publication Date |
2018-12-05 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2469-9969; 2469-9950 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:156240 |
Serial |
7462 |
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| Permanent link to this record |
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Author |
Verbueken, A.H.; van de Vijver, F.L.; Van Grieken, R.E.; Paulus, G.J.; Visser, W.J.; d'Haese, P.; de Broe, M.E. |
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Title |
Ultrastructural localization of aluminum in patients with dialysis-associated osteomalacia |
Type |
A1 Journal article |
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Year |
1984 |
Publication |
Clinical chemistry : international journal of laboratory medicine and molecular diagnostics |
Abbreviated Journal |
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Volume |
30 |
Issue |
5 |
Pages |
763-768 |
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Keywords |
A1 Journal article; Pharmacology. Therapy; Pathophysiology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP) |
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Abstract |
Using laser microprobe mass analysis, we studied the ultrastructural localization of aluminum in liver and bone tissue of chronic-hemodialysis patients with proven aluminum-induced osteomalacia. In the liver, aluminum was observed to be almost exclusively associated with iron. Detectable aluminum and large amounts of iron were found in lysosomes of both hepatocytes and Kupffer cells. In bone, aluminum was localized at the osteoid/calcified-bone interface and also was associated with iron in some cases. |
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Corporate Author |
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Thesis |
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Place of Publication |
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Language |
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Wos |
A1984SR66500043 |
Publication Date |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0009-9147; 1530-8561 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116713 |
Serial |
8703 |
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| Permanent link to this record |
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Author |
Vandeputte, D.F.; Jacob, W.A.; Van Grieken, R.E. |
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Title |
Influence of fixation procedures on the microanalysis of lead-induced intranuclear inclusions in rat kidney |
Type |
A1 Journal article |
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Year |
1990 |
Publication |
The journal of histochemistry and cytochemistry |
Abbreviated Journal |
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Volume |
38 |
Issue |
3 |
Pages |
331-337 |
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Keywords |
A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation) |
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Abstract |
Using Laser Microprobe Mass Analysis (LAMMA), we studied the chemical composition of lead-induced intranuclear inclusions in rat kidney tissue prepared by three different wet chemical fixation procedures for transmission electron microscopy. Fixation with glutaraldehyde-Na2S gave the same results as fixation with glutaraldehyde only: a high lead concentration could be detected. Therefore, for lead strongly bound to proteins, precipitation procedures are not essential. Post-fixation with osmium tetroxide drastically changed the composition of the inclusions: the lead concentration decreased substantially, while sodium, calcium, and barium were introduced. The osmium tetroxide fixative was found to be the source of the contamination. It also contained aluminum, and we suggest that other proteins (e.g., in neurofibrillary tangles) might be able to take up Al out of solution and that care must be exercised in interpreting the microanalytical results of osmium-fixed material. For the microanalysis of the lead inclusions, fixation with glutaraldehyde only provides a good compromise between preservation of the ultrastructure and maintenance of the element distribution. |
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Corporate Author |
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Place of Publication |
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Editor |
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Language |
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Wos |
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Publication Date |
2011-04-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
0022-1554 |
ISBN |
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Additional Links |
UA library record |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:116831 |
Serial |
8091 |
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Author |
Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G. |
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Title |
Magnetic order and critical temperature of substitutionally doped transition metal dichalcogenide monolayers |
Type |
A1 Journal article |
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Year |
2021 |
Publication |
npj 2D Materials and Applications |
Abbreviated Journal |
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Volume |
5 |
Issue |
1 |
Pages |
54 |
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Keywords |
A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we investigate the magnetic order in two-dimensional (2D) transition-metal-dichalcogenide (TMD) monolayers: MoS2, MoSe2, MoTe2, WSe2, and WS2 substitutionally doped with period four transition-metals (Ti, V, Cr, Mn, Fe, Co, Ni). We uncover five distinct magnetically ordered states among the 35 distinct TMD-dopant pairs: the non-magnetic (NM), the ferromagnetic with out-of-plane spin polarization (Z FM), the out-of-plane polarized clustered FMs (clustered Z FM), the in-plane polarized FMs (X-Y FM), and the anti-ferromagnetic (AFM) state. Ni and Ti dopants result in an NM state for all considered TMDs, while Cr dopants result in an anti-ferromagnetically ordered state for all the TMDs. Most remarkably, we find that Fe, Mn, Co, and V result in an FM ordered state for all the TMDs, except for MoTe2. Finally, we show that V-doped MoSe2 and WSe2, and Mn-doped MoS2, are the most suitable candidates for realizing a room-temperature FM at a 16-18% atomic substitution. |
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Place of Publication |
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Wos |
000650635200004 |
Publication Date |
2021-05-14 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2397-7132 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
OpenAccess |
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Notes |
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Approved |
Most recent IF: NA |
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Call Number |
UA @ admin @ c:irua:179063 |
Serial |
7001 |
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| Permanent link to this record |
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Author |
Sevik, C.; Çakir, D. |
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Title |
Tailoring Storage Capacity and Ion Kinetics in Ti2CO2/Graphene Heterostructures by Functionalization of Graphene |
Type |
A1 Journal article |
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Year |
2019 |
Publication |
Physical review applied |
Abbreviated Journal |
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Volume |
12 |
Issue |
1 |
Pages |
014001 |
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Keywords |
A1 Journal article; Condensed Matter Theory (CMT) |
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Abstract |
Using first-principles calculations, we evaluate the electrochemical performance of heterostructures made up of Ti2CO2 and chemically modified graphene for Li batteries. We find that heteroatom doping and molecule intercalation have a significant impact on the storage capacity and Li migration barrier energies. While N and S doping do not improve the storage capacity, B doping together with molecule interaction make it possible to intercalate two layers of Li, which stick separately to the surface of Ti2CO2 and B-doped graphene. The calculated diffusion-barrier energies (E-diff), which are between 0.3 and 0.4 eV depending on Li concentration, are quite promising for fast charge and discharge rates. Besides, the predicted E-diff as much as 2 eV for the diffusion of the Li atom from the Ti2CO2 surface to the B-doped graphene surface significantly suppresses the interlayer Li migration, which diminishes the charge and discharge rates. The calculated volume and lattice parameter changes indicate that Ti2CO2/graphene hybrid structures exhibit cyclic stability against Li loading and unloading. Consequently, first-principles calculations we perform evidently highlight the favorable effect of molecular intercalation on the capacity improvement of ion batteries. |
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Corporate Author |
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Publisher |
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Place of Publication |
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Editor |
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Language |
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Wos |
000473312000001 |
Publication Date |
2019-07-01 |
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Series Editor |
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Series Title |
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Abbreviated Series Title |
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Series Volume |
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Series Issue |
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Edition |
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ISSN |
2331-7019 |
ISBN |
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Additional Links |
UA library record; WoS full record; WoS citing articles |
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Impact Factor |
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Times cited |
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Open Access |
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Notes |
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Approved |
no |
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Call Number |
UA @ admin @ c:irua:193755 |
Serial |
8640 |
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| Permanent link to this record |
