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Author Ramakers, M.
  Title (up) Using a gliding arc plasmatron for CO2 conversion : the future in industry? Type Doctoral thesis
  Year 2019 Publication Abbreviated Journal
  Volume Issue Pages 235 p.
  Keywords Doctoral thesis; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record;
  Impact Factor Times cited Open Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:158254 Serial 5282
Permanent link to this record
 

 
Author Juchtmans, R.; Béché, A.; Abakumov, A.; Batuk, M.; Verbeeck, J.
  Title (up) Using electron vortex beams to determine chirality of crystals in transmission electron microscopy Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 91 Issue 91 Pages 094112
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract We investigate electron vortex beams elastically scattered on chiral crystals. After deriving a general expression for the scattering amplitude of a vortex electron, we study its diffraction on point scatterers arranged on a helix. We derive a relation between the handedness of the helix and the topological charge of the electron vortex on one hand and the symmetry of the higher-order Laue zones in the diffraction pattern on the other for kinematically and dynamically scattered electrons. We then extend this to atoms arranged on a helix as found in crystals which belong to chiral space groups and propose a method to determine the handedness of such crystals by looking at the symmetry of the diffraction pattern. In contrast to alternative methods, our technique does not require multiple scattering, which makes it possible to also investigate extremely thin samples in which multiple scattering is suppressed. In order to verify the model, elastic scattering simulations are performed, and an experimental demonstration on Mn2Sb2O7 is given in which we find the sample to belong to the right-handed variant of its enantiomorphic pair. This demonstrates the usefulness of electron vortex beams to reveal the chirality of crystals in a transmission electron microscope and provides the required theoretical basis for further developments in this field.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000352017000002 Publication Date 2015-03-27
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 54 Open Access
  Notes Fwo; 312483 Esteem2; 278510 Vortex; esteem2jra1; esteem2jra2 ECASJO_; Approved Most recent IF: 3.836; 2015 IF: 3.736
  Call Number c:irua:125512 c:irua:125512 Serial 3825
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Author Borms, L.; Multani, M.; Bachus, K.; Dams, Y.; Brusselaers, J.; Van Passel, S.
  Title (up) Using natural language processing to monitor circular activities and employment Type A1 Journal article
  Year 2024 Publication Sustainable Production and Consumption Abbreviated Journal
  Volume 46 Issue Pages 42-53
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM); Herman Deleeck Centre for Social Policy
  Abstract In Europe, NACE codes are used for the official classification of sectors, however, the circular economy is not sufficiently captured in this classification. Therefore, this paper improves previous attempts for defining circular activities and jobs by web scraping techniques applied to each company in Belgium. We analyze their first, second, and third official NACE codes and compare these to the NACE codes they should have been allocated to according to the web scraping data. Subsequently, we calculate circularity scores for every sector to construct an indicator for the number of circular companies and jobs. The results show that the number of circular companies is lower than the baseline from official statistics when we only consider the companies' first and main NACE code. The estimates are higher than the baseline when we also take the second and third NACE codes into account and the estimated number of circular jobs is far higher than the baseline. This research upgrades previous classifications of circular sectors and demonstrates how web scraping and novel data might improve our understanding and capacity to build data. Based on the results in this paper, we recommend a uniform data collection such as reporting standards, and an inclusion of all circular strategies in sectoral classifications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 001198897900001 Publication Date 2024-02-15
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2352-5509 ISBN Additional Links UA library record; WoS full record
  Impact Factor 12.1 Times cited Open Access
  Notes Approved Most recent IF: 12.1; 2024 IF: NA
  Call Number UA @ admin @ c:irua:204552 Serial 9241
Permanent link to this record
 

 
Author Yang, W.; Misko, V.R.; Nelissen, K.; Kong, M.; Peeters, F.M.
  Title (up) Using self-driven microswimmers for particle separation Type A1 Journal article
  Year 2012 Publication Soft matter Abbreviated Journal Soft Matter
  Volume 8 Issue 19 Pages 5175-5179
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Microscopic self-propelled swimmers capable of autonomous navigation through complex environments provide appealing opportunities for localization, pick-up and delivery of micro and nanoscopic objects. Inspired by motile cells and bacteria, man-made microswimmers have been fabricated, and their motion in patterned surroundings has been experimentally studied. We propose to use self-driven artificial microswimmers for the separation of binary mixtures of colloids. We revealed different regimes of separation, including one with a velocity inversion. Our findings could be of use for various biological and medical applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Cambridge Editor
  Language Wos 000303208700009 Publication Date 2012-03-26
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1744-683X;1744-6848; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.889 Times cited 45 Open Access
  Notes ; This work was supported by the “Odysseus” Program of the Flemish Government and the Flemish Science Foundation (FWO-V1) (Belgium), the National Natural Science Foundation of China (No. 11047111), the State Key Program of National Natural Science of China (No. 51135007), the Research Fund for the Doctoral Program of Higher Education of China (No. 20111415120002), and the Major State Basic Research Development Program of China (973) (No. 2009CB724201). ; Approved Most recent IF: 3.889; 2012 IF: 3.909
  Call Number UA @ lucian @ c:irua:98326 Serial 3826
Permanent link to this record
 

 
Author Amiri-Aref, M.
  Title (up) Utilization of magnetic nanoparticles and carbon nanotubes to fabrication electrochemical sensors for determination of some important biological and pharmaceutical compounds Type Doctoral thesis
  Year 2015 Publication Abbreviated Journal
  Volume Issue Pages 137 p.
  Keywords Doctoral thesis; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
  Abstract
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos Publication Date
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN ISBN Additional Links UA library record
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:128299 Serial 8727
Permanent link to this record
 

 
Author Ilin, A.; Martyshov, M.; Forsh, E.; Forsh, P.; Rumyantseva, M.; Abakumov, A.; Gaskov, A.; Kashkarov, P.
  Title (up) UV effect on NO2 sensing properties of nanocrystalline In2O3 Type A1 Journal article
  Year 2016 Publication Sensors and actuators : B : chemical Abbreviated Journal Sensor Actuat B-Chem
  Volume 231 Issue 231 Pages 491-496
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
  Abstract Nanocrystalline indium oxide films with extremely small grains in range of 7-40 nm are prepared by sol-gel method. The influence of grain size on the sensitivity of indium oxide to nitrogen dioxide in low concentration at room temperature is investigated under the UV illumination and without illumination. The sensitivity increases with the decrease of grain sizes when In2O3 is illuminated while in the dark In2O3 with intermediate grain size exhibits the highest response. An explanation of the different behavior of the In2O3 with different grain size sensitivity to NO2 under illumination and in the dark is proposed. We demonstrate that pulsed illumination may be used for NO2 detection at room temperature that significantly reduces the power consumption of sensor. (C) 2016 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Lausanne Editor
  Language Wos 000374330900055 Publication Date 2016-03-16
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0925-4005 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.401 Times cited 27 Open Access
  Notes Approved Most recent IF: 5.401
  Call Number UA @ lucian @ c:irua:133630 Serial 4273
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Author Miranda, L.P.; da Costa, D.R.; Peeters, F.M.; Costa Filho, R.N.
  Title (up) Vacancy clustering effect on the electronic and transport properties of bilayer graphene nanoribbons Type A1 Journal article
  Year 2023 Publication Nanotechnology Abbreviated Journal
  Volume 34 Issue 5 Pages 055706-55710
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract Experimental realizations of two-dimensional materials are hardly free of structural defects such as e.g. vacancies, which, in turn, modify drastically its pristine physical defect-free properties. In this work, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evident vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of the inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000886630000001 Publication Date 2022-11-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0957-4484 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.5 Times cited 1 Open Access OpenAccess
  Notes Approved Most recent IF: 3.5; 2023 IF: 3.44
  Call Number UA @ admin @ c:irua:192030 Serial 7350
Permanent link to this record
 

 
Author Iyikanat, F.; Sahin, H.; Senger, R.T.; Peeters, F.M.
  Title (up) Vacancy formation and oxidation characteristics of single layer TiS3 Type A1 Journal article
  Year 2015 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 119 Issue 119 Pages 10709-10715
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract The structural, electronic, and magnetic properties of pristine, defective, and oxidized monolayer TiS3 are investigated using first-principles calculations in the framework of density functional theory. We found that a single layer of TiS3 is a direct band gap semiconductor, and the bonding nature of the crystal is fundamentally different from other transition metal chalcogenides. The negatively charged surfaces of single layer TiS3 makes this crystal a promising material for lubrication applications. The formation energies of possible vacancies, i.e. S, Ti, TiS, and double S, are investigated via total energy optimization calculations. We found that the formation of a single S vacancy was the most likely one among the considered vacancy types. While a single S vacancy results in a nonmagnetic, semiconducting character with an enhanced band gap, other vacancy types induce metallic behavior with spin polarization of 0.3-0.8 mu(B). The reactivity of pristine and defective TiS3 crystals against oxidation was investigated using conjugate gradient calculations where we considered the interaction with atomic O, O-2, and O-3. While O-2 has the lowest binding energy with 0.05-0.07 eV, O-3 forms strong bonds stable even at moderate temperatures. The strong interaction (3.9-4.0 eV) between atomic O and TiS3 results in dissociative adsorption of some O-containing molecules. In addition, the presence of S-vacancies enhances the reactivity of the surface with atomic O, whereas it had a negative effect on the reactivity with O-2 and O-3 molecules.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Washington, D.C. Editor
  Language Wos 000354912200063 Publication Date 2015-04-28
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447;1932-7455; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited 51 Open Access
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure), and HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules foundation. H.S. is supported by a FWO Pegasus Marie Curie Fellowship. RI., H.S., and R.T.S. acknowledge the support from TUBITAK through project 114F397. ; Approved Most recent IF: 4.536; 2015 IF: 4.772
  Call Number c:irua:126410 Serial 3829
Permanent link to this record
 

 
Author Van Echelpoel, R.; Parrilla, M.; Sleegers, N.; Thiruvottriyur Shanmugam, S.; van Nuijs, A.L.N.; Slosse, A.; Van Durme, F.; De Wael, K.
  Title (up) Validated portable device for the qualitative and quantitative electrochemical detection of MDMA ready for on-site use Type A1 Journal article
  Year 2023 Publication Microchemical journal Abbreviated Journal
  Volume 190 Issue Pages 108693-10
  Keywords A1 Journal article; Engineering sciences. Technology; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
  Abstract Identifying and quantifying 3,4-methyl​enedioxy​methamphetamine (MDMA) on-site in suspected illicit drug samples, whether it be at recreational settings or manufacturing sites, is a major challenge for law enforcement agencies (LEAs). Various analytical techniques exist to fulfil this goal, e.g. colourimetry and portable spectroscopic techniques, each having its specific limitations (e.g. low accuracy, fluorescence, no quantification) and strengths (e.g. fast, easy to use). In this work, for the first time, an electrochemical MDMA sensor is presented to become a detection tool that can realistically be used on-site. More specifically, the use of a single buffer solution and an unmodified screen-printed electrode, along with the integration of a data analysis algorithm and mobile application permits the straightforward on-site identification and quantification of MDMA in suspicious samples. Multiple studies investigating different parameters, including pH, concentration, reproducibility, temperature and binary mixture analyses, were executed. To fully understand all the occurring redox processes, liquid chromatography coupled with high-resolution mass spectrometry analysis of partially electrolyzed MDMA samples was performed unravelling oxidation of the methylenedioxy group. Validation of the methodology was executed on 15 MDMA street samples analysed by gas chromatography coupled with mass spectrometry and compared with the performance of a commercial portable Raman and Attenuated Total Reflection Fourier Transform Infrared Spectroscopy (ATR-FTIR) device. The novel methodology outperformed the spectroscopic techniques, correctly identifying all 15 street samples. Additionally, the electrochemical sensor predicted the purity of the tablets with a mean absolute error of 2.3%. Overall, this new, electrochemical detection strategy provides LEAs the rapid, low-cost, on-site detection and quantification of MDMA in suspicious samples, without requiring specialized training.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000977060400001 Publication Date 2023-03-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.8 Times cited Open Access OpenAccess
  Notes Approved Most recent IF: 4.8; 2023 IF: 3.034
  Call Number UA @ admin @ c:irua:195415 Serial 8952
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Author de Backer, J.W.; Vos, W.G.; Vinchurkar, S.C.; Claes, R.; Drollmann, A.; Wulfrank, D.; Parizel, P.M.; Germonpré, P.; de Backer, W.
  Title (up) Validation of computational fluid dynamics in CT-based airway models with SPECT/CT1 Type A1 Journal article
  Year 2010 Publication Radiology Abbreviated Journal Radiology
  Volume 257 Issue 3 Pages 854-862
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Vision lab; Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Laboratory Experimental Medicine and Pediatrics (LEMP)
  Abstract Purpose: To compare the results obtained by using numerical flow simulations with the results of combined single photon emission computed tomography (SPECT) and computed tomography (CT) and to demonstrate the importance of correct boundary conditions for the numerical methods to account for the large amount of interpatient variability in airway geometry. Materials and Methods: This study was approved by all relevant institutional review boards. All patients gave their signed informed consent. In this study, six patients with mild asthma (three men; three women; overall mean age, 46 years ± 17 [standard deviation]) underwent CT at functional residual capacity and total lung capacity, as well as SPECT/CT. CT data were used for segmentation and computational fluid dynamics (CFD) simulations. A comparison was made between airflow distribution, as derived with (a) SPECT/CT through tracer concentration analysis, (b) CT through lobar expansion measurement, and (c) CFD through flow computer simulation. Also, the heterogeneity of the ventilation was examined. Results: Good agreement was found between SPECT/CT, CT, and CFD in terms of airflow distribution and hot spot detection. The average difference for the internal airflow distribution was less than 3% for CFD and CT versus SPECT/CT. Heterogeneity in ventilation patterns could be detected with SPECT/CT and CFD. Conclusion: This results of this study show that patient-specific computer simulations with appropriate boundary conditions yield information that is similar to that obtained with functional imaging tools, such as SPECT/CT.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Easton, Pa Editor
  Language Wos 000284469300031 Publication Date 2010-11-17
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0033-8419;1527-1315; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.296 Times cited 100 Open Access
  Notes ; Supported by Novartis. ; Approved Most recent IF: 7.296; 2010 IF: 6.069
  Call Number UA @ lucian @ c:irua:85379 Serial 3831
Permanent link to this record
 

 
Author da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M.
  Title (up) Valley filtering in graphene due to substrate-induced mass potential Type A1 Journal article
  Year 2017 Publication Journal of physics : condensed matter Abbreviated Journal
  Volume 29 Issue 21 Pages 215502
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The interaction of monolayer graphene with specific substrates may break its sublattice symmetry and results in unidirectional chiral states with opposite group velocities in the different Dirac cones (Zarenia et al 2012 Phys. Rev. B 86 085451). Taking advantage of this feature, we propose a valley filter based on a transversal mass kink for low energy electrons in graphene, which is obtained by assuming a defect region in the substrate that provides a change in the sign of the substrate-induced mass and thus creates a non-biased channel, perpendicular to the kink, for electron motion. By solving the time-dependent Schrodinger equation for the tight-binding Hamiltonian, we investigate the time evolution of a Gaussian wave packet propagating through such a system and obtain the transport properties of this graphene-based substrate-induced quantum point contact. Our results demonstrate that efficient valley filtering can be obtained, provided: (i) the electron energy is sufficiently low, i.e. with electrons belonging mostly to the lowest sub-band of the channel, and (ii) the channel length (width) is sufficiently long (narrow). Moreover, even though the transmission probabilities for each valley are significantly affected by impurities and defects in the channel region, the valley polarization in this system is shown to be robust against their presence.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000400092700002 Publication Date 2017-04-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited 15 Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:152636 Serial 8730
Permanent link to this record
 

 
Author da Costa, D.R.; Chaves, A.; Sena, S.H.R.; Farias, G.A.; Peeters, F.M.
  Title (up) Valley filtering using electrostatic potentials in bilayer graphene Type A1 Journal article
  Year 2015 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B
  Volume 92 Issue 92 Pages 045417
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Propagation of an electron wave packet through a quantum point contact (QPC) defined by electrostatic gates in bilayer graphene is investigated. The gates provide a bias between the layers, in order to produce an energy gap. If the gates on both sides of the contact produce the same bias, steps in the electron transmission probability are observed, as in the usual QPC. However, if the bias is inverted on one of the sides of the QPC, only electrons belonging to one of the Dirac valleys are allowed to pass, which provides a very efficient valley filtering.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000358253200009 Publication Date 2015-07-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1098-0121;1550-235X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 47 Open Access
  Notes ; This work was financially supported by CNPq, under PNPD and PRONEX/FUNCAP grants; the CAPES Foundation under ProcessNo. BEX7178/13-1; the Bilateral programme between Flanders and Brazil; the Flemish Science Foundation (FWOVl); and the Brazilian program Science Without Borders (CsF). ; Approved Most recent IF: 3.836; 2015 IF: 3.736
  Call Number c:irua:127152 Serial 3833
Permanent link to this record
 

 
Author Pereira, J.M.; Peeters, F.M.; Costa Filho, R.N.; Farias, G.A.
  Title (up) Valley polarization due to trigonal warping on tunneling electrons in graphene Type A1 Journal article
  Year 2009 Publication Journal of physics : condensed matter Abbreviated Journal J Phys-Condens Mat
  Volume 21 Issue 4 Pages 045301,1-045301,4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The effect of trigonal warping on the transmission of electrons tunneling through potential barriers in graphene is investigated. We present calculations of the transmission coefficient for single and double barriers as a function of energy, incidence angle and barrier heights. The results show remarkable valley-dependent directional effects for barriers oriented parallel to the armchair or parallel to the zigzag direction. These results indicate that electrostatic gates can be used as valley filters in graphene-based devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication London Editor
  Language Wos 000262354700004 Publication Date 2008-12-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984;1361-648X; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.649 Times cited 78 Open Access
  Notes Approved Most recent IF: 2.649; 2009 IF: 1.964
  Call Number UA @ lucian @ c:irua:75736 Serial 3834
Permanent link to this record
 

 
Author Wu, Z.; Zhai, F.; Peeters, F.M.; Xu, H.Q.; Chang, K.
  Title (up) Valley-dependent brewster angles and Goos-Hänchen effect in strained graphene Type A1 Journal article
  Year 2011 Publication Physical review letters Abbreviated Journal Phys Rev Lett
  Volume 106 Issue 17 Pages 176802,1-176802,4
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We demonstrate theoretically how local strains in graphene can be tailored to generate a valley-polarized current. By suitable engineering of local strain profiles, we find that electrons in opposite valleys (K or K′) show different Brewster-like angles and Goos-Hänchen shifts, exhibiting a close analogy with light propagating behavior. In a strain-induced waveguide, electrons in K and K′ valleys have different group velocities, which can be used to construct a valley filter in graphene without the need for any external fields.
  Address
  Corporate Author Thesis
  Publisher Place of Publication New York, N.Y. Editor
  Language Wos 000290100300016 Publication Date 2011-04-29
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0031-9007;1079-7114; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 8.462 Times cited 235 Open Access
  Notes ; This work was supported by the NSF of China and the MOST, the Swedish International Development Cooperation Agency (SIDA), and the Belgian Science Policy (IAP). ; Approved Most recent IF: 8.462; 2011 IF: 7.370
  Call Number UA @ lucian @ c:irua:89715 Serial 3832
Permanent link to this record
 

 
Author Wang, S.; Tian, H.; Sun, M.
  Title (up) Valley-polarized and enhanced transmission in graphene with a smooth strain profile Type A1 Journal article
  Year 2023 Publication Journal of physics : condensed matter Abbreviated Journal
  Volume 35 Issue 30 Pages 304002-304013
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract We explore the influence of strain on the valley-polarized transmission of graphene by employing the wave-function matching and the non-equilibrium Green's function technique. When the transmission is along the armchair direction, we show that the valley polarization and transmission can be improved by increasing the width of the strained region and increasing (decreasing) the extensional strain in the armchair (zigzag) direction. It is noted that the shear strain does not affect transmission and valley polarization. Furthermore, when we consider the smooth strain barrier, the valley-polarized transmission can be enhanced by increasing the smoothness of the strain barrier. We hope that our finding can shed new light on constructing graphene-based valleytronic and quantum computing devices by solely employing strain.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000977124700001 Publication Date 2023-04-11
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.7 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 2.7; 2023 IF: 2.649
  Call Number UA @ admin @ c:irua:196718 Serial 8953
Permanent link to this record
 

 
Author Kim, E.; Spooren, J.; Broos, K.; Nielsen, P.; Horckmans, L.; Geurts, R.; Vrancken, K.C.; Quaghebeur, M.
  Title (up) Valorization of stainless steel slag by selective chromium recovery and subsequent carbonation of the matrix material Type A1 Journal article
  Year 2016 Publication Journal of cleaner production Abbreviated Journal
  Volume 117 Issue Pages 221-228
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract This study focuses on the recycling of stainless steel (SS) slags containing about 1.2 wt% of chromium (Cr). The selective recovery of Cr from SS slag by a hydrometallurgical method (alkaline pressure leaching) was investigated. Leaching experiments were carried out based on 2(4-1) factorial design of experiment (DOE) with the following parameters: NaOH concentration, temperature, leaching time, and mechanical activation (MA). Results show that temperature and MA are the most influencing factors for an enhanced Cr leaching. The maximum Cr leaching was 46% at 1 M NaOH, 240 degrees C, 6 h, MA 30 min, while the matrix material was dissolved only to a limited extent (Al 2.88%, Si 0.12%, Ca 0.05%). After Cr leaching followed by alkali washing, a carbonation treatment is proposed to stabilize the remaining Cr in the matrix material and make the subsequent recycling of the matrix material as a construction material possible. (C) 2016 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000371552200025 Publication Date 2016-01-23
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:132432 Serial 8731
Permanent link to this record
 

 
Author Danthurebandara, M.; Van Passel, S.; Machiels, L.; Van Acker, K.
  Title (up) Valorization of thermal treatment residues in enhanced landfill mining : environmental and economic evaluation Type A1 Journal article
  Year 2015 Publication Journal Of Cleaner Production Abbreviated Journal J Clean Prod
  Volume 99 Issue Pages 275-285
  Keywords A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
  Abstract Enhanced Landfill Mining is an innovative concept which allows the recovery of land, re-introduction of materials to the material cycles and recovery of energy from a considerably large stock of resources held in landfills. Plasma gasification is a viable candidate for combined energy and material valorization in the framework of Enhanced landfill Mining. Besides energy production, plasma gasification also delivers an environmentally stable vitrified residue called plasmastone, which can be converted into building materials. This paper presents an environmental and economic evaluation of the valorization of thermal treatment residues (plasmastone) in the context of Enhanced Landfill Mining. The most common valorization route, that is, the treatment of plasmastone via production of aggregates, is compared with two other possible, higher added value applications, which are inorganic polymer production and blended cement production. The evaluation is based on life cycle assessment and life cycle costing. The study suggests that the environmental and economic performances of the valorization routes depend mainly on the quality and quantity of the final products produced from a certain amount of plasmastone. The materials with the greatest contribution to potential global warming and to the net present value of the valorization scenarios are the process input materials of sodium silicate, sodium hydroxide and cement. The study concludes that the plasmastone valorization via inorganic polymer production yields higher environmental benefits, while the blended cement production provides higher economic profits. Plasmastone valorization via aggregates production does not yield economic or environmental benefits. Given the trade-off between environmental and economic performances, we conclude that the decisions regarding the selection of appropriate valorization routes should be made cautiously to obtain optimal environmental benefits and economic profits. (C) 2015 Elsevier Ltd. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000356195000023 Publication Date 2015-03-14
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0959-6526 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.715 Times cited 17 Open Access
  Notes ; The authors would like to acknowledge the funding of this study by the IWT-O&O ELFM project 'Closing the Circle & Enhanced Landfill Mining as part of the Transition to Sustainable Materials Management' and the valuable discussions with Group Machiels (Belgium). ; Approved Most recent IF: 5.715; 2015 IF: 3.844
  Call Number UA @ admin @ c:irua:127533 Serial 6276
Permanent link to this record
 

 
Author Christis, M.; Geerken, T.; Vercalsteren, A.; Vrancken, K.C.M.
  Title (up) Value in sustainable materials management strategies for open economies case of Flanders (Belgium) Type A1 Journal article
  Year 2015 Publication Resources, conservation and recycling Abbreviated Journal
  Volume 103 Issue Pages 110-124
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Sustainable Materials Management (SMM) strategies, such as reuse, recycling and energy recovery aim, to capture more of the embedded resource or material value in products and waste streams. Reuse, recycling and energy recovery are existing activities in every society but they are poorly reflected in official statistics. Reaching higher levels of reuse, recycling and energy recovery may provide economic and environmental opportunities (i.e., in terms of GDP, jobs, reduced impacts), but not all options will have a net win-win-win property in practice, as they reduce the need for producing new commodities. In open economies, many primary resources, components and products are imported from abroad, and many goods produced are exported abroad. This paper describes a top-down methodology for estimating the substitution potential of intensifying specific SMM-strategies and material efficiency strategies. We combined both regional and multi-regional EE-IO (environmentally extended input-output) models to link industrial sectors to SMM-strategies. Our method enables us to compare the different SMM and material efficiency strategies in terms of the maximum available budgets for reaching them on a break even basis, maximum savings in global warming emissions and substituted employment effects, both through a regional and global perspective. We add a case on Flanders (Northern region in Belgium) to illustrate the methodology. Flanders is currently developing a policy for SMM. Selecting new regional actions for a Sustainable Materials Management policy can benefit from a good understanding of the international entangled value chains. It is important to understand how much of the chain is within reach of domestic policies and also to assess the consequences in terms of potential winners and losers, regarding GDP, jobs and environmental impacts, both domestically and abroad. We illustrated the potential outcomes for Flanders from four generic SMM-strategies: energy recovery, food waste prevention, recycling and reuse. From a strict regional self-interest perspective, it is preferable to substitute foreign value chains with local economic activities. Reuse creates by far the largest budget for new activities to realize the strategy (31.2% of Flemish GDP compared to 8.3% for food waste prevention, 6.2% for energy recovery and 4.2% for recycling). All four strategies have similar and significant potentials to reduce greenhouse gas emissions. However, food waste prevention and reuse have higher potentials to reduce Flemish territorial GHG-emissions. From a pure Flemish employment perspective, the energy recovery and recycling strategies could replace the fewest Flemish jobs, and from a global perspective, all strategies most likely imply losses of jobs abroad. (C) 2015 Elsevier B.V. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000362618600011 Publication Date 2015-08-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:128777 Serial 8732
Permanent link to this record
 

 
Author De Valck, J.; Beames, A.; Liekens, I.; Bettens, M.; Seuntjens, P.; Broekx, S.
  Title (up) Valuing urban ecosystem services in sustainable brownfield redevelopment Type A1 Journal article
  Year 2019 Publication Ecosystem services Abbreviated Journal
  Volume 35 Issue Pages 139-149
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
  Abstract Urban environments provide opportunities for greater resource efficiency and the fostering of urban ecosystems. Brownfield areas are a typical example of underused land resources. Brownfield redevelopment projects that include green infrastructure allow for further ecosystems to be accommodated in urban environments. Green infrastructure also deliver important urban ecosystem services (UES) to local residents, which can greatly contribute to improving quality of life in cities. In this case study, we quantify and assess the economic value of five UES for a brownfield redevelopment project in Antwerp, Belgium. The assessment is carried out using the “Nature Value Explorer” modelling tool. The case includes three types of green infrastructure (green corridor, infiltration gullies and green roofs) primarily intended to connect nature reserves on the urban periphery and to avoid surface runoff. The green infrastructure also provides air filtration, climate regulation, carbon sequestration and recreation ecosystem services. The value of recreation far exceeds other values, including the value of avoided runoff. The case study raises crucial questions as to whether existing UES valuation approaches adequately account for the range of UES provided and whether such approaches can be improved to achieve more accurate and reliable value estimates in future analyses.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000457119300016 Publication Date 2018-12-18
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2212-0416 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access
  Notes Approved no
  Call Number UA @ admin @ c:irua:157539 Serial 8733
Permanent link to this record
 

 
Author Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Nguyen, C.
  Title (up) Van der Waals heterostructures of MoS₂ and Janus MoSSe monolayers on graphitic boron-carbon-nitride (BC₃, C₃N, C₃N₄ and C₄N₃) nanosheets: a first-principles study Type A1 Journal article
  Year 2020 Publication Journal Of Physics D-Applied Physics Abbreviated Journal J Phys D Appl Phys
  Volume Issue Pages 1-10
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In this work, we extensively investigate the structural and electronic properties of van der Waals heterostructures (HTs) constructed by MoS${2}$/$BC3$, MoS${2}$/$C3N$, MoS${2}$/$C3N4$, MoS${2}$/$C4N3$ and those using Janus MoSSe instead of MoS$2$ by performing density functional theory calculations. The electronic band structure calculations and the corresponding partial density of states reveal that the significant changes are driven by quite strong layer-layer interaction between the constitutive layers. Our results show that although all monolayers are semiconductors as free-standing layers, the MoS${2}$/$C3N$ and MoS${2}$/$C4N3$ bilayer HTs display metallic behavior as a consequence of transfer of charge carriers between two constituent layers. In addition, it is found that in MoSSe/$C3N$ bilayer HT, the degree of metallicity is affected by the interface chalcogen atom type when Se atoms are facing to $C3N$ layer, the overlap of the bands around the Fermi level is smaller. Moreover, the half-metallic magnetic $C4N3$ is shown to form magnetic half-metallic trilayer HT with MoS$2$ independent of the stacking sequence, i.e. whether it is sandwiched or two $C4N3$ layer encapsulate MoS$2$ layer. We further analyze the trilayer HTs in which MoS$2$ is encapsulated by two different monolayers and it is revealed that at least with one magnetic monolayer, it is possible to construct a magnetic trilayer. While the trilayer of $C4N3$/MoS${2}$/$BC3$ and $C4N3$/MoS${2}$/$C3N4$ exhibit half-metallic characteristics, $C4N3$/MoS${_2}$/$C3$N possesses a magnetic metallic ground state. Overall, our results reveal that holly structures of BCN crystals are suitable for heterostructure formation even over van der Waals type interaction which significantly changes electronic nature of the constituent layers.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000543344800001 Publication Date 2020-04-07
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0022-3727 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.4 Times cited Open Access
  Notes Approved Most recent IF: 3.4; 2020 IF: 2.588
  Call Number UA @ admin @ c:irua:169754 Serial 6651
Permanent link to this record
 

 
Author Baskurt, M.; Eren, I.; Yagmurcukardes, M.; Sahin, H.
  Title (up) Vanadium dopant- and strain-dependent magnetic properties of single-layer VI₃ Type A1 Journal article
  Year 2020 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci
  Volume 508 Issue Pages 144937-6
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles calculations. The dynamically stable semiconducting ferromagnetic (FM) and antiferromagnetic (AFM) phases of monolayer VI3 are found to display distinctive vibrational features that the magnetic state can be distinguished by Raman spectroscopy. In order to clarify the effect of experimentally observed excessive V atoms, the magnetic and electronic properties of the V-doped VI3 structures are analyzed. Our findings indicate that partially doped VI3 structures display FM ground state while the fully-doped structure exhibits AFM ground state. The fully-doped monolayer VI3 is found to be a semiconductor with a relatively larger band gap than its pristine structure. In addition, strain-dependent electronic and magnetic properties of fully- and partially-doped VI3 structures reveal that pristine monolayer displays a FM-to-AFM phase transition with robust semiconducting nature for 5% of compressive strain, while fully-doped monolayer VI3 structure possesses AFM-to-FM semiconducting transition at tensile strains larger than 4%. In contrast, the partially-doped VI3 monolayers are found to display robust FM ground state under biaxial strain. Its dopant and strain tunable electronic and magnetic nature makes monolayer VI3 a promising material for applications in nanoscale spintronic devices.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000516818700040 Publication Date 2019-12-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0169-4332 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 6.7 Times cited 10 Open Access
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ; Approved Most recent IF: 6.7; 2020 IF: 3.387
  Call Number UA @ admin @ c:irua:168595 Serial 6652
Permanent link to this record
 

 
Author Warwick, M.E.A.; Kaunisto, K.; Barreca, D.; Carraro, G.; Gasparotto, A.; Maccato, C.; Bontempi, E.; Sada, C.; Ruoko, T.P.; Turner, S.; Van Tendeloo, G.;
  Title (up) Vapor phase processing of \alpha-Fe2O3 photoelectrodes for water splitting : an insight into the structure/property interplay Type A1 Journal article
  Year 2015 Publication ACS applied materials and interfaces Abbreviated Journal Acs Appl Mater Inter
  Volume 7 Issue 7 Pages 8667-8676
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract Harvesting radiant energy to trigger water photoelectrolysis and produce clean hydrogen is receiving increasing attention in the search of alternative energy resources. In this regard, hematite (alpha-Fe2O3) nanostructures with controlled nano-organization have been fabricated and investigated for use as anodes in photoelectrochemical (PEC) cells. The target systems have been grown on conductive substrates by plasma enhanced-chemical vapor deposition (PE-CVD) and subjected to eventual ex situ annealing in air to further tailor their structure and properties. A detailed multitechnique approach has enabled to elucidate between system characteristics and the generated photocurrent. The present alpha-Fe2O3 systems are characterized by a high purity and hierarchical morphologies consisting of nanopyramids/organized dendrites, offering a high contact area with the electrolyte. PEC data reveal a dramatic response enhancement upon thermal treatment, related to a more efficient electron transfer. The reasons underlying such a phenomenon are elucidated and discussed by transient absorption spectroscopy (TAS) studies of photogenerated charge carrier kinetics, investigated on different time scales for the first time on PE-CVD Fe2O3 nanostructures.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000353931300037 Publication Date 2015-04-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1944-8244;1944-8252; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 7.504 Times cited 51 Open Access
  Notes 246791 Countatoms; Fwo Approved Most recent IF: 7.504; 2015 IF: 6.723
  Call Number c:irua:126059 Serial 3836
Permanent link to this record
 

 
Author Abakumov, M.A.; Nukolova, N.V.; Sokolsky-Papkov, M.; Shein, S.A.; Sandalova, T.O.; Vishwasrao, H.M.; Grinenko, N.F.; Gubsky, I.L.; Abakumov, A.M.; Kabanov, A.V.; Chekhonin, V.P.;
  Title (up) VEGF-targeted magnetic nanoparticles for MRI visualization of brain tumor Type A1 Journal article
  Year 2015 Publication Nanomedicine: nanotechnology, biology and medicine Abbreviated Journal Nanomed-Nanotechnol
  Volume 11 Issue 11 Pages 825-833
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract This work is focused on synthesis and characterization of targeted magnetic nanoparticles as magnetic resonance imaging (MRI) agents for in vivo visualization of gliomas. Ferric oxide (Fe3O4) cores were synthesized by thermal decomposition and coated with bovine serum albumin (BSA) to form nanoparticles with D-eff of 53 +/- 9 nm. The BSA was further cross-linked to improve colloidal stability. Monoclonal antibodies against vascular endothelial growth factor (mAbVEGF) were covalently conjugated to BSA through a polyethyleneglycol linker. Here we demonstrate that 1) BSA coated nanoparticles are stable and non-toxic to different cells at concentration up to 2.5 mg/mL; 2) conjugation of monoclonal antibodies to nanoparticles promotes their binding to VEGF-positive glioma C6 cells in vitro; 3) targeted nanoparticles are effective in MRI visualization of the intracranial glioma. Thus, mAbVEGF-targeted BSA-coated magnetic nanoparticles are promising MRI contrast agents for glioma visualization. (C) 2015 Elsevier Inc. All rights reserved.
  Address
  Corporate Author Thesis
  Publisher Place of Publication S.l. Editor
  Language Wos 000354559600004 Publication Date 2015-01-31
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1549-9634; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 5.72 Times cited 62 Open Access
  Notes Approved Most recent IF: 5.72; 2015 IF: 6.155
  Call Number c:irua:126351 Serial 3838
Permanent link to this record
 

 
Author Jelić, Z.L.; Milošević, M.V.; Silhanek, A.V.
  Title (up) Velocimetry of superconducting vortices based on stroboscopic resonances Type A1 Journal article
  Year 2016 Publication Scientific reports Abbreviated Journal Sci Rep-Uk
  Volume 6 Issue Pages 35687
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract An experimental determination of the mean vortex velocity in superconductors mostly relies on the measurement of flux-flow resistance with magnetic field, temperature, or driving current. In the present work we introduce a method combining conventional transport measurements and a frequency-tuned flashing pinning potential to obtain reliable estimates of the vortex velocity. The proposed device is characterized using the time-dependent Ginzburg-Landau formalism, where the velocimetry method exploits the resonances in mean vortex dissipation when temporal commensuration occurs between the vortex crossings and the flashing potential. We discuss the sensitivity of the proposed technique on applied current, temperature and heat diffusion, as well as the vortex core deformations during fast motion.
  Address
  Corporate Author Thesis
  Publisher Nature Publishing Group Place of Publication London Editor
  Language Wos 000385919600001 Publication Date 2016-10-24
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2045-2322 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.259 Times cited 22 Open Access
  Notes ; This work was supported by the Research Foundation-Flanders (FWO) and EU COST action MP1201. The work of Z.L.J. and A.V.S. was partially supported by “Mandat d'Impulsion Scientifique” MIS F.4527.13 of the F.R.S.-FNRS. ; Approved Most recent IF: 4.259
  Call Number UA @ lucian @ c:irua:144636 Serial 4701
Permanent link to this record
 

 
Author Eren, I.; Ozen, S.; Sozen, Y.; Yagmurcukardes, M.; Sahin, H.
  Title (up) Vertical van der Waals heterostructure of single layer InSe and SiGe Type A1 Journal article
  Year 2019 Publication The journal of physical chemistry: C : nanomaterials and interfaces Abbreviated Journal J Phys Chem C
  Volume 123 Issue 51 Pages 31232-31237
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
  Abstract We present a first-principles investigation on the stability, electronic structure, and mechanical response of ultrathin heterostructures composed of single layers of InSe and SiGe. First, by performing total energy optimization and phonon calculations, we show that single layers of InSe and SiGe can form dynamically stable heterostructures in 12 different stacking types. Valence and conduction band edges of the heterobilayers form a type-I heterojunction having a tiny band gap ranging between 0.09 and 0.48 eV. Calculations on elastic-stiffness tensor reveal that two mechanically soft single layers form a heterostructure which is stiffer than the constituent layers because of relatively strong interlayer interaction. Moreover, phonon analysis shows that the bilayer heterostructure has highly Raman active modes at 205.3 and 43.7 cm(-1), stemming from the out-of-plane interlayer mode and layer breathing mode, respectively. Our results show that, as a stable type-I heterojunction, ultrathin heterobilayer of InSe/SiGe holds promise for nanoscale device applications.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000505632900050 Publication Date 2019-12-03
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.536 Times cited Open Access
  Notes Approved Most recent IF: 4.536
  Call Number UA @ admin @ c:irua:165718 Serial 6332
Permanent link to this record
 

 
Author Ramaneti, R.; Sankaran, K.J.; Korneychuk, S.; Yeh, C.J.; Degutis, G.; Leou, K.C.; Verbeeck, J.; Van Bael, M.K.; Lin, I.N.; Haenen, K.
  Title (up) Vertically aligned diamond-graphite hybrid nanorod arrays with superior field electron emission properties Type A1 Journal article
  Year 2017 Publication APL materials Abbreviated Journal Apl Mater
  Volume 5 Issue 6 Pages 066102
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
  Abstract A “patterned-seeding technique” in combination with a “nanodiamond masked reactive ion etching process” is demonstrated for fabricating vertically aligned diamond-graphite hybrid (DGH) nanorod arrays. The DGH nanorod arrays possess superior field electron emission (FEE) behavior with a low turn-on field, long lifetime stability, and large field enhancement factor. Such an enhanced FEE is attributed to the nanocomposite nature of theDGHnanorods, which contain sp(2)-graphitic phases in the boundaries of nano-sized diamond grains. The simplicity in the nanorod fabrication process renders the DGH nanorods of greater potential for the applications as cathodes in field emission displays and microplasma display devices. (C) 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000404623000002 Publication Date 2017-06-08
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2166-532x ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.335 Times cited 16 Open Access
  Notes The authors would like to thank the Methusalem “NANO” network for financial support and Mr. B. Ruttens and Professor Jan D'Haen for technical and experimental assistance. K.J. Sankaran is a Postdoctoral Fellow of the Research Foundation-Flanders (FWO). Approved Most recent IF: 4.335
  Call Number UA @ admin @ c:irua:152633 Serial 5369
Permanent link to this record
 

 
Author Zhang, S.-H.; Yang, W.; Peeters, F.M.
  Title (up) Veselago focusing of anisotropic massless Dirac fermions Type A1 Journal article
  Year 2018 Publication Physical review B Abbreviated Journal Phys Rev B
  Volume 97 Issue 20 Pages 205437
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract Massless Dirac fermions (MDFs) emerge as quasiparticles in various novel materials such as graphene and topological insulators, and they exhibit several intriguing properties, of which Veselago focusing is an outstanding example with a lot of possible applications. However, up to now Veselago focusing merely occurred in p-n junction devices based on the isotropic MDF, which lacks the tunability needed for realistic applications. Here, motivated by the emergence of novel Dirac materials, we investigate the propagation behaviors of anisotropic MDFs in such a p-n junction structure. By projecting the Hamiltonian of the anisotropic MDF to that of the isotropic MDF and deriving an exact analytical expression for the propagator, precise Veselago focusing is demonstrated without the need for mirror symmetry of the electron source and its focusing image. We show a tunable focusing position that can be used in a device to probe masked atom-scale defects. This study provides an innovative concept to realize Veselago focusing relevant for potential applications, and it paves the way for the design of novel electron optics devices by exploiting the anisotropic MDF.
  Address
  Corporate Author Thesis
  Publisher American Physical Society Place of Publication New York, N.Y Editor
  Language Wos 000433026700005 Publication Date 2018-05-22
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2469-9969; 2469-9950 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 3.836 Times cited 9 Open Access
  Notes ; This work was supported by the National Key R&D Program of China (Grant No. 2017YFA0303400), the NSFC (Grants No. 11504018 and No. 11774021), the MOST of China (Grant No. 2014CB848700), and the NSFC program for “Scientific Research Center” (Grant No. U1530401). Support by the bilateral project (FWO-MOST) is gratefully acknowledged. S.H.Z. is also supported by “the Fundamental Research Funds for the Central Universities (ZY1824).” We acknowledge the computational support from the Beijing Computational Science Research Center (CSRC). ; Approved Most recent IF: 3.836
  Call Number UA @ lucian @ c:irua:151501UA @ admin @ c:irua:151501 Serial 5047
Permanent link to this record
 

 
Author Milovanović, S.P.; Moldovan, D.; Peeters, F.M.
  Title (up) Veselago lensing in graphene with a p-n junction: Classical versus quantum effects Type A1 Journal article
  Year 2015 Publication Journal of applied physics Abbreviated Journal J Appl Phys
  Volume 118 Issue 118 Pages 154308
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract The feasibility of Veselago lensing in graphene with a p-n junction is investigated numerically for realistic injection leads. Two different set-ups with two narrow leads are considered with absorbing or reflecting side edges. This allows us to separately determine the influence of scattering on electron focusing for the edges and the p-n interface. Both semiclassical and tight-binding simulations show a distinctive peak in the transmission probability that is attributed to the Veselago lensing effect. We investigate the robustness of this peak on the width of the injector, the position of the p-n interface, and different gate potential profiles. Furthermore, the influence of scattering by both short- and long-range impurities is considered.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000363535800022 Publication Date 2015-10-20
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 0021-8979;1089-7550; ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 2.068 Times cited 19 Open Access
  Notes This work was supported by the Flemish Science Foundation (FWO-Vl), the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, and the Methusalem Foundation of the Flemish government. Approved Most recent IF: 2.068; 2015 IF: 2.183
  Call Number c:irua:129452 Serial 3969
Permanent link to this record
 

 
Author Sozen, Y.; Yagmurcukardes, M.; Sahin, H.
  Title (up) Vibrational and optical identification of GeO₂ and GeO single layers : a first-principles study Type A1 Journal article
  Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
  Volume 23 Issue 37 Pages 21307-21315
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  Abstract In the present work, the identification of two hexagonal phases of germanium oxides (namely GeO2 and GeO) through the vibrational and optical properties is reported using density functional theory calculations. While structural optimizations show that single-layer GeO2 and GeO crystallize in 1T and buckled phases, phonon band dispersions reveal the dynamical stability of each structure. First-order off-resonant Raman spectral predictions demonstrate that each free-standing single-layer possesses characteristic peaks that are representative for the identification of the germanium oxide phase. On the other hand, electronic band dispersion analysis shows the insulating and large-gap semiconducting nature of single-layer GeO2 and GeO, respectively. Moreover, optical absorption, reflectance, and transmittance spectra obtained by means of G(0)W(0)-BSE calculations reveal the existence of tightly bound excitons in each phase, displaying strong optical absorption. Furthermore, the excitonic gaps are found to be at deep UV and visible portions of the spectrum, for GeO2 and GeO crystals, with energies of 6.24 and 3.10 eV, respectively. In addition, at the prominent excitonic resonances, single-layers display high reflectivity with a zero transmittance, which is another indication of the strong light-matter interaction inside the crystal medium.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000697364300001 Publication Date 2021-09-02
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 1463-9076; 1463-9084 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor 4.123 Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: 4.123
  Call Number UA @ admin @ c:irua:181571 Serial 7044
Permanent link to this record
 

 
Author Shi, W.; Pandey, T.; Lindsay, L.; Woods, L.M.
  Title (up) Vibrational properties and thermal transport in quaternary chalcogenides : the case of Te-based compositions Type A1 Journal article
  Year 2021 Publication Physical review materials Abbreviated Journal
  Volume 5 Issue 4 Pages 045401
  Keywords A1 Journal article; Condensed Matter Theory (CMT)
  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.
  Address
  Corporate Author Thesis
  Publisher Place of Publication Editor
  Language Wos 000655931400005 Publication Date 2021-04-01
  Series Editor Series Title Abbreviated Series Title
  Series Volume Series Issue Edition
  ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
  Impact Factor Times cited Open Access Not_Open_Access
  Notes Approved Most recent IF: NA
  Call Number UA @ admin @ c:irua:179140 Serial 7045
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