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Author Van Grieken, R.; Stranger, M.
Title (up) Fijn stof en pollutiegassen in de binnenlucht Type A2 Journal article
Year 2006 Publication ARGUS milieumagazine Abbreviated Journal
Volume 4 Issue 2 Pages 18
Keywords A2 Journal article; 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 1379-4957 ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:58863 Serial 7967
Permanent link to this record
 
 
Author Van Grieken, R.; Adams, F.
Title (up) Filter absorption correction for X-ray fluorescence analysis of aerosol loaded filters Type P3 Proceeding
Year 1976 Publication Abbreviated Journal
Volume Issue Pages
Keywords P3 Proceeding; 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:113635 Serial 7968
Permanent link to this record
 
 
Author Maes, R.R.; Potters, G.; Fransen, E.; Cayetano, F.C.; Van Schaeren, R.; Lenaerts, S.
Title (up) Finding the optimal fatty acid composition for biodiesel improving the emissions of a one-cylinder diesel generator Type A1 Journal article
Year 2021 Publication Sustainability Abbreviated Journal Sustainability-Basel
Volume 13 Issue 21 Pages 12089
Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Nitrogen oxides (NOx) and particulate matter (PM) currently are the main pollutants emitted by diesel engines. While there is a start in using hybrid and electric cars, ships will still be fueled by mineral oil products. In the quest to achieve zero-pollution and carbon-free shipping, alternative forms of energy carriers must be found to replace the commonly used mineral oil products. One of the possible alternative fuels is biodiesel. This paper explores the optimization of the composition of biodiesel in order to reduce the concentration of particulate matter and NOx in exhaust gases of a one-cylinder diesel generator.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000719122800001 Publication Date 2021-11-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2071-1050 ISBN Additional Links UA library record; WoS full record
Impact Factor 1.789 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 1.789
Call Number UA @ admin @ c:irua:184041 Serial 7969
Permanent link to this record
 
 
Author Potgieter-Vermaak, S.S.; Potgieter, J.H.; Worobiec, A.; Van Grieken, R.; Marjanovic, L.; Moeketsi, S.
Title (up) Fingerprinting of South African ordinary Portland cements, cement blends and mortars for identification purposes: discrimination with starplots and PCA Type A1 Journal article
Year 2007 Publication Cement and concrete research Abbreviated Journal
Volume 37 Issue 6 Pages 834-843
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Laboratory Experimental Medicine and Pediatrics (LEMP)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000247613800003 Publication Date 2007-02-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0008-8846 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:63909 Serial 7970
Permanent link to this record
 
 
Author Demirkol, Ö.; Sevik, C.; Demiroğlu, I.
Title (up) First principles assessment of the phase stability and transition mechanisms of designated crystal structures of pristine and Janus transition metal dichalcogenides Type A1 Journal article
Year 2022 Publication Physical chemistry, chemical physics Abbreviated Journal Phys Chem Chem Phys
Volume 24 Issue 12 Pages 7430-7441
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Two-dimensional Transition Metal Dichalcogenides (TMDs) possessing extraordinary physical properties at reduced dimensionality have attracted interest due to their promise in electronic and optical device applications. However, TMD monolayers can show a broad range of different properties depending on their crystal phase; for example, H phases are usually semiconductors, while the T phases are metallic. Thus, controlling phase transitions has become critical for device applications. In this study, the energetically low-lying crystal structures of pristine and Janus TMDs are investigated by using ab initio Nudged Elastic Band and molecular dynamics simulations to provide a general explanation for their phase stability and transition properties. Across all materials investigated, the T phase is found to be the least stable and the H phase is the most stable except for WTe2, while the T' and T '' phases change places according to the TMD material. The transition energy barriers are found to be large enough to hint that even the higher energy phases are unlikely to undergo a phase transition to a more stable phase if they can be achieved except for the least stable T phase, which has zero barrier towards the T ' phase. Indeed, in molecular dynamics simulations the thermodynamically least stable T phase transformed into the T ' phase spontaneously while in general no other phase transition was observed up to 2100 K for the other three phases. Thus, the examined T ', T '' and H phases were shown to be mostly stable and do not readily transform into another phase. Furthermore, so-called mixed phase calculations considered in our study explain the experimentally observed lateral hybrid structures and point out that the coexistence of different phases is strongly stable against phase transitions. Indeed, stable complex structures such as metal-semiconductor-metal architectures, which have immense potential to be used in future device applications, are also possible based on our investigation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000766791000001 Publication Date 2022-02-23
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 3.3 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.3
Call Number UA @ admin @ c:irua:187184 Serial 7164
Permanent link to this record
 
 
Author Jafarzadeh, A.
Title (up) First-principle studies of plasma-catalyst interactions for greenhouse gas conversion Type Doctoral thesis
Year 2020 Publication Abbreviated Journal
Volume Issue Pages 163 p.
Keywords Doctoral thesis; 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:174073 Serial 6765
Permanent link to this record
 
 
Author Dobrota, A.S.; Vlahovic, J.; V. Skorodumova, N.; Pasti, I.A.
Title (up) First-principles analysis of aluminium interaction with nitrogen-doped graphene nanoribbons – from adatom bonding to various Type A1 Journal article
Year 2022 Publication Materials Today Communications Abbreviated Journal
Volume 31 Issue Pages 103388-10
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Enhancing aluminium interaction with graphene-based materials is of crucial importance for the development of Al-storage materials and novel functional materials via atomically precise doping. Here, DFT calculations are employed to investigate Al interactions with non-doped and N-doped graphene nanoribbons (GNRs) and address the impact of the edge sites and N-containing defects on the material's reactivity towards Al. The presence of edges does not influence the energetics of Al adsorption significantly (compared to pristine graphene sheet). On the other hand, N-doping of graphene nanoribbons is found to affect the adsorption energy of Al to an extent that strongly depends on the type of N-containing defect. The introduction of edge-NO group and doping with in -plane pyridinic N result in Al adsorption nearly twice as strong as on pristine graphene. Moreover, double n-type doping via N and Al significantly alters the electronic structure of Al,N-containing GNRs. Our results suggest that selectively doped GNRs with pyridinic N can have enhanced Al-storage capacity and could be potentially used for selective Al electrosorption and removal. On the other hand, Al,N-containing GNRs with pyridinic N could also be used in resistive sensors for mechanical deformation. Namely, strain along the longitudinal axis of these dual doped GNRs does not affect the binding of Al but tunes the bandgap and causes more than 700-fold change in the conductivity. Thus, careful defect engineering and selective doping of GNRs with N (and Al) could lead to novel multifunctional materials with exceptional properties. [GRAPHICS]
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000820987400002 Publication Date 2022-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2352-4928 ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:189563 Serial 7163
Permanent link to this record
 
 
Author Sivek, J.
Title (up) First-principles characterization and functionalization of graphene-like materials Type Doctoral thesis
Year 2015 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
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 @ lucian @ c:irua:125632 Serial 1204
Permanent link to this record
 
 
Author Kocabas, T.; Cakir, D.; Sevik, C.
Title (up) First-principles discovery of stable two-dimensional materials with high-level piezoelectric response Type A1 Journal article
Year 2021 Publication Journal Of Physics-Condensed Matter Abbreviated Journal J Phys-Condens Mat
Volume 33 Issue 11 Pages 115705
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The rational design of two-dimensional (2D) piezoelectric materials has recently garnered great interest due to their increasing use in technological applications, including sensor technology, actuating devices, energy harvesting, and medical applications. Several materials possessing high piezoelectric response have been reported so far, but a high-throughput first-principles approach to estimate the piezoelectric potential of layered materials has not been performed yet. In this study, we systematically investigated the piezoelectric (e(11), d(11)) and elastic (C-11 and C-12) properties of 128 thermodynamically stable 2D semiconductor materials by employing first-principle methods. Our high-throughput approach demonstrates that the materials containing Group-V elements produce significantly high piezoelectric strain constants, d(11) > 40 pm V-1, and 49 of the materials considered have the e(11) coefficient higher than MoS2 insomuch as BrSSb has one of the largest d(11) with a value of 373.0 pm V-1. Moreover, we established a simple empirical model in order to estimate the d(11) coefficients by utilizing the relative ionic motion in the unit cell and the polarizability of the individual elements in the compounds.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000605852800001 Publication Date 2020-12-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0953-8984 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.649 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.649
Call Number UA @ admin @ c:irua:193761 Serial 7971
Permanent link to this record
 
 
Author Dixit, H.
Title (up) First-principles electronic structure calculations of transparent conducting oxide materials Type Doctoral thesis
Year 2012 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
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 @ lucian @ c:irua:99490 Serial 1209
Permanent link to this record
 
 
Author Bafekry, A.; Yagmurcukardes, M.; Akgenc, B.; Ghergherehchi, M.; Mortazavi, B.
Title (up) First-principles investigation of electronic, mechanical and thermoelectric properties of graphene-like XBi (X = Si, Ge, Sn) monolayers Type A1 Journal article
Year 2021 Publication Physical Chemistry Chemical Physics Abbreviated Journal Phys Chem Chem Phys
Volume 23 Issue 21 Pages 12471-12478
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Research progress on single layer group III monochalcogenides has been increasing rapidly owing to their interesting physics. Herein, we investigate the dynamically stable single layer forms of XBi (X = Ge, Si or Sn) using density functional theory calculations. Phonon band dispersion calculations and ab initio molecular dynamics simulations reveal the dynamical and thermal stability of the considered monolayers. Raman spectra calculations indicate the existence of 5 Raman active phonon modes, 3 of which are prominent and can be observed in possible Raman measurements. The electronic band structures of the XBi single layers were investigated with and without the effects of spin-orbit coupling (SOC). Our results show that XBi single layers show semiconducting properties with narrow band gap values without SOC. However, only single layer SiBi is an indirect band gap semiconductor, while GeBi and SnBi exhibit metallic behaviors when adding spin-orbit coupling effects. In addition, the calculated linear elastic parameters indicate the soft nature of the predicted monolayers. Moreover, our predictions for the thermoelectric properties of single layer XBi reveal that SiBi is a good thermoelectric material with increasing temperature. Overall, it is proposed that single layer XBi structures can be alternative, stable 2D single layers with varying electronic and thermoelectric properties.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000653851100001 Publication Date 2021-04-08
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 OpenAccess
Notes Approved Most recent IF: 4.123
Call Number UA @ admin @ c:irua:179007 Serial 6992
Permanent link to this record
 
 
Author Akande, S.O.; Samanta, B.; Sevik, C.; Cakir, D.
Title (up) First-principles investigation of mechanical and thermal properties of M Al B (M = Mo, W), Cr₂ AlB₂, and Ti₂ In B₂ Type A1 Journal article
Year 2023 Publication Physical review applied Abbreviated Journal
Volume 20 Issue 4 Pages 044064-17
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The atomically laminated layered ternary transition-metal borides (the MAB phases) have demonstrated outstanding properties and have been applied in various fields. Understanding their thermal and mechanical properties is critical to determining their applicability in various fields such as high-temperature applications. To achieve this, we conducted first-principles calculations based on density-functional theory and the quasiharmonic approximation to determine the thermal expansion coefficients, Gruneisen parameters, bulk moduli, hardness, thermal conductivity, electron-phonon coupling parameters, and the structural and vibrational properties of MoAlB, WAlB, Cr2AlB2, and Ti2InB2. We found varying degrees of anisotropy in the thermal expansion and mechanical properties in spite of similarities in their crystal structures. MoAlB has a mild degree of anisotropy in its thermal expansion coefficient (TEC), while Cr2AlB2 and WAlB display the highest level of TEC anisotropy. We assessed various empirical models to calculate hardness and thermal conductivity, and correlated the calculated values with the material properties such as elastic moduli, Gruneisen parameter, Debye temperature, and type of bonding. Owing to their higher Gruneisen parameters, implying a greater degree of anharmonicity in lattice vibrations and lower phonon group velocities, MoAlB and WAlB have significantly lower lattice thermal conductivity values than those of Cr2AlB2 and Ti2InB2. The hardness and lattice thermal conductivity of MAB phases can be predicted with high accuracy if one utilizes an appropriate model.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001106456600003 Publication Date 2023-10-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2331-7019 ISBN Additional Links UA library record; WoS full record
Impact Factor 4.6 Times cited Open Access
Notes Approved Most recent IF: 4.6; 2023 IF: 4.808
Call Number UA @ admin @ c:irua:202078 Serial 9037
Permanent link to this record
 
 
Author Yayak, Y.O.; Sozen, Y.; Tan, F.; Gungen, D.; Gao, Q.; Kang, J.; Yagmurcukardes, M.; Sahin, H.
Title (up) First-principles investigation of structural, Raman and electronic characteristics of single layer Ge3N4 Type A1 Journal article
Year 2022 Publication Applied surface science Abbreviated Journal Appl Surf Sci
Volume 572 Issue Pages 151361
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract By means of density functional theory-based first-principle calculations, the structural, vibrational and electronic properties of single-layer Ge3N4 are investigated. Structural optimizations and phonon band dispersions reveal that single-layer ultrathin form of Ge3N4 possesses a dynamically stable buckled structure with large hexagonal holes. Predicted Raman spectrum of single-layer Ge3N4 indicates that the buckled holey structure of the material exhibits distinctive vibrational features. Electronic band dispersion calculations indicate the indirect band gap semiconducting nature of single-layer Ge3N4. It is also proposed that single-layer Ge3N4 forms type-II vertical heterostructures with various planar and puckered 2D materials except for single-layer GeSe which gives rise to a type-I band alignment. Moreover, the electronic properties of single-layer Ge3N4 are investigated under applied external in-plane strain. It is shown that while the indirect gap behavior of Ge3N4 is unchanged by the applied strain, the energy band gap increases (decreases) with tensile (compressive) strain.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000723664000006 Publication Date 2021-10-01
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 Open Access Not_Open_Access
Notes Approved Most recent IF: 6.7
Call Number UA @ admin @ c:irua:184752 Serial 6993
Permanent link to this record
 
 
Author Clima, S.; McMitchell, S.R.C.; Florent, K.; Nyns, L.; Popovici, M.; Ronchi, N.; Di Piazza, L.; Van Houdt, J.; Pourtois, G.
Title (up) First-principles perspective on poling mechanisms and ferroelectric/antiferroelectric behavior of Hf1-xZrxO2 for FEFET applications Type P1 Proceeding
Year 2018 Publication 2018 Ieee International Electron Devices Meeting (iedm) Abbreviated Journal
Volume Issue Pages
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
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.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000459882300073 Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-72811-987-8; 978-1-72811-987-8 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:158693 Serial 7972
Permanent link to this record
 
 
Author Li, L.
Title (up) First-principles studies of novel two-dimensional dirac materials Type Doctoral thesis
Year 2019 Publication Abbreviated Journal
Volume Issue Pages 152 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Condensed Matter Theory (CMT)
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:160527 Serial 5214
Permanent link to this record
 
 
Author Aierken, Y.
Title (up) First-principles studies of novel two-dimensional materials and their physical properties Type Doctoral thesis
Year 2017 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen 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 @ lucian @ c:irua:147503 Serial 4874
Permanent link to this record
 
 
Author Amini, M.
Title (up) First-principles study of defects in transparent conducting oxide materials Type Doctoral thesis
Year 2014 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
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 @ lucian @ c:irua:113390 Serial 1216
Permanent link to this record
 
 
Author Govaerts, K.
Title (up) First-principles study of homologous series of layered Bi-Sb-Te-Se and Sn-O structures Type Doctoral thesis
Year 2015 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen Editor
Language Wos Publication Date 0000-00-00
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 @ lucian @ c:irua:126206 Serial 1218
Permanent link to this record
 
 
Author Hassani, H.
Title (up) First-principles study of polarons in WO₃ Type Doctoral thesis
Year 2023 Publication Abbreviated Journal
Volume Issue Pages 181 p.
Keywords Doctoral thesis; Condensed Matter Theory (CMT)
Abstract Polarons are quasiparticles emerging in materials from the interaction of extra charge carriers with the surrounding atomic lattice. They appear in a wide va- riety of compounds and can have a profound impact on their properties, making the concept of a polaron a central and ubiquitous topic in material science. Al- though the concept is known for about 75 years, the origin of polarons is not yet fully elucidated. This thesis focuses on WO 3 as a well-known prototypical system for studying polarons, which inherent polaronic nature is linked to its remark- able electrical and chromic properties. The primary objective of this research is to provide a comprehensive atomistic description and understanding of polaron formation in WO 3 using first-principles density functional theory (DFT) calcula- tions. Additionally, the investigation explores the interactions between polarons and the possibility of bipolaron formation. Following a systematic strategy, we first extensively analyze the dielectric and lattice dynamical properties of WO 3 in both the room-temperature P 2 1 /n and ground-state P 2 1 /c phases. Our specific focus is on characterizing the zone-center phonons, which serve as the founda- tion for identifying the phonon modes involved in the polaron formation and charge localization process. Subsequently, we examine the impact of structural distortions on the electronic structure of WO 3 to elucidate the interplay between structural distortions and electronic properties, thereby laying the groundwork for understanding electron-phonon couplings. By incorporating these critical fac- tors, we address our primary research goals. The most common explanation for the polaron formation is associated with the electrostatic screening of the extra charge by the polarizable lattice. Here, we show that, even in ionic crystals, this is not necessarily the case. We demonstrate that polarons in this compound arise primarily from non-polar atomic distortions. We then unveil that this unexpected behavior originates from the undoing of distortive atomic motions, which lowers the bandgap. As such, we coin the name of anti-distortive polaron and validate its appearance through a simple quantum-dot model, in which charge localization is the result of balancing structural, electronic, and confinement energy costs. Then, we also study the polaron-polaron interaction and present the formation of the antiferromagnetic W 4+ bipolaronic state with relatively large formation energy. Our analysis of the W 4+ bipolaronic distortions on the global structure reveals the same behavior as in experiments where the highly distorted monoclinic phase transforms into a tetragonal phase as a function of doping. Additionally, leveraging our previous findings on asymmetric polaronic distortion and examin- ing different merging orientations, we stabilize the antiferromagnetic W 5+ -W 5+ bipolaronic state with an energy lower than the W 4+ state. This thesis clari- fies the formation of unusual medium-size 2D polarons and bipolarons in WO3,which might be relevant to the whole family of ABO 3 perovskites, to which WO 3 is closely related. The simplicity of the concept provides also obvious guidelines for tracking similar behavior in other families of compounds.
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:198169 Serial 8868
Permanent link to this record
 
 
Author Dehhaghi, S.; Choobchian, S.; Ghobadian, B.; Farhadian, H.; Viira, A.-H.; Stefanie, H.I.; Van Passel, S.; Azadi, H.
Title (up) Five-year development plans of renewable energy policies in Iran : a content analysis Type A1 Journal article
Year 2022 Publication Sustainability Abbreviated Journal Sustainability-Basel
Volume 14 Issue 3 Pages 1501
Keywords A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM)
Abstract Renewable energy (RE) policies can play an effective role in the development of renewable resources. The main goal of this paper was to conduct a content analysis on RE development policies in Iran's five-year National Development Plan (NDP) by investigating upstream national documents. To achieve the goal, 29 upstream documents related to RE were identified and analyzed through a systematic literature review. Then, a qualitative content analysis was applied to analyze the documents. The results showed that Iran's current RE policies need to be reviewed, reformed, and strengthened. For example, lack of sufficient attention to renewable heat and fuel was one of the deficiencies of RE policies in Iran's five-year NDP. The decentralization of policymaking in the unified organization was also one of the weaknesses in the policymaking process of the RE. Iran can develop sustainable and clean RE policies by using sources such as solar, wind, geothermal, hydropower, wave, and tidal power. The paper concludes that, although RE policies have the potential for development in Iran due to environmental, social, and economic advantages, they could face some infrastructural, managerial, socio-cultural, and economic challenges. Accordingly, effective and innovative policymaking is required to meet such challenges.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000754912800001 Publication Date 2022-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2071-1050 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.9 Times cited Open Access OpenAccess
Notes Approved Most recent IF: 3.9
Call Number UA @ admin @ c:irua:186501 Serial 7358
Permanent link to this record
 
 
Author Borkowski, R.; Straub, M.; Ou, Y.; Lefevre, Y.; Jelić, Ž.L.; Lanneer, W.; Kaneda, N.; Mahadevan, A.; Hueckstaedt, V.; van Veen, D.; Houtsma, V.; Coomans, W.; Bonk, R.; Maes, J.
Title (up) FLCS-PON : a 100 Gbit/s flexible passive optical network: concepts and field trial Type A1 Journal article
Year 2021 Publication Journal Of Lightwave Technology Abbreviated Journal J Lightwave Technol
Volume 39 Issue 16 Pages 5314-5324
Keywords A1 Journal article; Mass communications; Condensed Matter Theory (CMT)
Abstract We demonstrate concepts and results of a field trial for a flexible-rate passive optical network (FLCS-PON), which delivers bitrates up to 100 Gbit/s and allows for adaptations in the transmission method to match the users' channel conditions and optimize throughput. FLCS-PON builds on top of the hardware ecosystem that will be developed for ITU-T 50 Gbit/s PON and employs three new ingredients: optical network unit (ONU) grouping, flexible modulation format, and flexible forward error correction (FEC) code rate. Together, these techniques take advantage of the optical distribution network (ODN) statistics to realize a system capable of more than twofold throughput increase compared to the upcoming 50 Gbit/s PON, but still able to support a full array of deployed fiber edge cases, which are problematic for legacy PONs. In this paper we explain the concepts behind enabling techniques of FLCS-PON. We then report on a field trial over a deployed fiber infrastructure, using a system consisting of one FLCS-PON OLT and two ONUs. We report both pre- and post-forward-error-correction (post-FEC) performance of our system, demonstrating achievable net bitrate over an operator's fiber infrastructure. We realize a downlink transmission at double the speed of ITU-T 50 Gbit/s PON for ONUs exhibiting lower optical path loss (OPL), while simultaneously continue to support ONUs at high OPLs. We additionally realize a record-high 31.5 dB loss budget for 100 Gbit/s transmission using a direct-detection ONU with an optical preamplifier.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000692209800017 Publication Date 2021-08-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0733-8724 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.671 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 3.671
Call Number UA @ admin @ c:irua:181586 Serial 6995
Permanent link to this record
 
 
Author Gomes, N.O.; Mendonça, C.D.; Machado, S.A.S.; Oliveira, O.N., Jr.; Raymundo-Pereira, P.A.
Title (up) Flexible and integrated dual carbon sensor for multiplexed detection of nonylphenol and paroxetine in tap water samples Type A1 Journal article
Year 2021 Publication Microchimica Acta Abbreviated Journal Microchim Acta
Volume 188 Issue 10 Pages 359
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract Multiplex detection of emerging pollutants is essential to improve quality control of water treatment plants, which requires portable systems capable of real-time monitoring. In this paper we describe a flexible, dual electrochemical sensing device that detects nonylphenol and paroxetine in tap water samples. The platform contains two voltammetric sensors, with different working electrodes that were either pretreated or functionalized. Each working electrode was judiciously tailored to cover the concentration range of interest for nonylphenol and paroxetine, and square wave voltammetry was used for detection. An electrochemical pretreatment with sulfuric acid on the printed electrode enabled a selective detection of nonylphenol in 1.0-10 x 10(-6) mol L-1 range with a limit of detection of 8.0 x 10(-7) mol L-1. Paroxetine was detected in the same range with a limit of detection of 6.7 x 10(-7) mol L-1 using the printed electrode coated with a layer of carbon spherical shells. Simultaneous detection of the two analytes was achieved in tap water samples within 1 min, with no fouling and no interference effects. The long-term monitoring capability of the dual sensor was demonstrated in phosphate buffer for 45 days. This performance is statistically equivalent to that of high-performance liquid chromatography (HPLC) for water analysis. The dual-sensor platform is generic and may be extended to other water pollutants and clinical biomarkers in real-time monitoring of the environment and health conditions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000702722700001 Publication Date 2021-10-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0026-3672; 1436-5073 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.58 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 4.58
Call Number UA @ admin @ c:irua:182649 Serial 7973
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Author Shafiei, M.; Fazileh, F.; Peeters, F.M.; Milošević, M.V.
Title (up) Floquet engineering of axion and high-Chern number phases in a topological insulator under illumination Type A1 Journal article
Year 2024 Publication SciPost Physics Core Abbreviated Journal
Volume 7 Issue 7 Pages 024-16
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Quantum anomalous Hall, high-Chern number, and axion phases in topological insulators are characterized by its Chern invariant C (respectively, C = 1, integer C > 1, and C = 0 with half-quantized Hall conductance of opposite signs on top and bottom surfaces). They are of recent interest because of novel fundamental physics and prospective applications, but identifying and controlling these phases has been challenging in practice. Here we show that these states can be created and switched between in thin films of Bi2Se3 by Floquet engineering, using irradiation by circularly polarized light. We present the calculated phase diagrams of encountered topological phases in Bi2Se3, as a function of wavelength and amplitude of light, as well as sample thickness, after properly taking into account the penetration depth of light and the variation of the gap in the surface states. These findings open pathways towards energy-efficient optoelectronics, advanced sensing, quantum information processing and metrology.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001217885300001 Publication Date 2024-05-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record
Impact Factor Times cited Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:205972 Serial 9151
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Author De Bie, C.
Title (up) Fluid modeling of the plasma-assisted conversion of greenhouse gases to value-added chemicals in a dielectric barrier discharge Type Doctoral thesis
Year 2016 Publication Abbreviated Journal
Volume Issue Pages
Keywords Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Antwerpen 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 @ lucian @ c:irua:138591 Serial 4466
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Author Xiaoyan, S.; Zhang, Y.-R.; Wang, Y.-N.; He, J.-X.
Title (up) Fluid simulation of the superimposed dual-frequency source effect in inductively coupled discharges Type A1 Journal article
Year 2021 Publication Physics Of Plasmas Abbreviated Journal Phys Plasmas
Volume 28 Issue 11 Pages 113504-113510
Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract Superimposition of dual frequencies (DFs) is one of the methods used for controlling plasma distribution in an inductively coupled plasma (ICP) source. The effects of a superimposed DF on the argon plasma characteristics have been investigated using a two-dimensional self-consistent fluid model. When both currents are fixed at 6A, the plasma density drops with decrease in one of the source frequencies due to less efficient heating and the plasma uniformity improves significantly. Moreover, for ICP operated with superimposed DFs (i.e., 4.52MHz/13.56MHz and 2.26MHz/13.56MHz), the current source exhibits the same period as the low frequency (LF) component, and the plasma density is higher than that obtained at a single frequency (i.e., 4.52 and 2.26MHz) with the same total current of 12A. However, at superimposed current frequencies of 6.78MHz/13.56MHz, the plasma density is lower than that obtained at a single frequency of 6.78MHz due to the weaker negative azimuthal electric field between two positive maxima during one period of 6.78MHz. When the superimposed DF ICP operates at 2.26 and 13.56MHz, the rapid oscillations of the induced electric field become weaker during one period of 2.26MHz as the current ratio of 2.26MHz/13.56MHz rises from 24A/7 A to 30A/1 A, and the plasma density drops with the current ratio due to weakened electron heating. The uniformity of plasma increases due to sufficient diffusion under the low-density condition.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000760326100004 Publication Date 2021-11-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1070-664x ISBN Additional Links UA library record; WoS full record
Impact Factor 2.115 Times cited Open Access Not_Open_Access
Notes Approved Most recent IF: 2.115
Call Number UA @ admin @ c:irua:187245 Serial 7974
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Author Vincze, L.; Vekemans, B.; Janssens, K.; Adams, F.; Haller, M.
Title (up) Fluorescent tomography of metals in fly-ash particles at beamline L Type A3 Journal article
Year 1998 Publication HASYLAB Jahresbericht 1997 Abbreviated Journal
Volume 1 Issue Pages 959-960
Keywords A3 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
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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:22761 Serial 5624
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Author Vekemans, B.; Vincze, L.; Vittiglio, G.; Janssens, K.; Adams, F.
Title (up) Fluorescent tomography of phantom samples at the beamline L Type A3 Journal article
Year 1999 Publication HASYLAB Jahresbericht Abbreviated Journal
Volume Issue Pages
Keywords A3 Journal article; 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 Most recent IF: NA
Call Number UA @ admin @ c:irua:28218 Serial 5625
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Author Van Grieken, R.; Injuk, J.; Otten, P.; Rojas, C.; van Malderen, H.; Laane, R.
Title (up) Fluxes and sources of heavy metal inputs into the Southern Bight of the North Sea Type H3 Book chapter
Year 1992 Publication Abbreviated Journal
Volume Issue Pages 184-193 T2 - Industrial air pollution: assessment
Keywords H3 Book chapter; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
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ISSN ISBN Additional Links UA library record
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:2859 Serial 7975
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Author Van Grieken, R.E.; Adams, F.C.
Title (up) Folding of aerosol loaded filters during X-ray fluorescence analysis Type A1 Journal article
Year 1976 Publication X-ray spectrometry Abbreviated Journal
Volume 5 Issue 2 Pages 61-67
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract Folding aerosol loaded filters in two with the loaded side inwards during the X-ray analysis not only reduces possible filter heterogeneity effects and improves sample protection, but also increases the sensitivity and renders filter paper absorption corrections simple and more accurate in many instances. It is shown that folding an aerosol loaded Whatman filter paper during Kα X-rays counting leads to an increased sensitivity for all elements up from calcium, scandium or titanium (depending on the sensitivity definition and on the aerosol load) and for all elements up from phosphorus, sulphur or chlorine in the case of the Nuclepore filter. Although the absorption by the filter, into which the aerosol penetrates to some extent, is always more important in the sandwich than in the usual geometry, the dependence of the absorption correction on the usually unknown average deposition depth is less pronounced. Assuming all the aerosol material to be collected at the very surface of the filter and hence being present in the centre of the sandwich to be analysed, leads to an extremely simple filter paper absorption correction which is less prone to uncertainties than more sophisticated corrections in the usual geometry requiring additional measurements. This is the case for all elements up from potassium on Whatman filters and up from phosphorus on Nuclepore filters.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1976BM95300002 Publication Date 2005-05-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0049-8246 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:116480 Serial 7976
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Author Coppens, J.; Meers, E.; Boon, N.; Buysse, J.; Vlaeminck, S.E.
Title (up) Follow the N and P road : high-resolution nutrient flow analysis of the Flanders region as precursor for sustainable resource management Type A1 Journal article
Year 2016 Publication Resources, conservation and recycling Abbreviated Journal
Volume 115 Issue Pages 9-21
Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Abstract Resource-efficient nutrient management is key to secure food production in the context of a growing global population, rising resource scarcity and increasing pressure on the environment. To map the potential towards increasing nutrient use efficiencies and reduce environmental losses, a high-resolution insight of the nitrogen (N) and phosphorus (P) nutrient streams is pivotal. In this study, a substance flow analysis for N and P is presented for the nutrient intensive region of Flanders (6,211,065 inhabitants) in Belgium for the year 2009. A set of 160 nutrient fluxes was quantified throughout 21 economic and environmental compartments, with a particular focus on 10 waste management processes. A total nutrient load of 20 kg N cap(-1) yr(-1) (ca. 73% to the air and 28% to surface waters) and 0.53 kg P cap(-1) yr(-1) (to surface waters) is emitted to the environment; with crop and livestock production as the main contributors (49% of N and 36% of P). The food supply chain revealed a fertilizer-to-consumer efficiency of 14% for N as well as for P, with important losses embedded in waste streams such as excess manure. Advanced manure and waste processing facilities nevertheless offer the opportunity for enhanced nutrient recycling to increase the nutrient use efficiencies and reduce the dependency of inorganic fertilizers. (C) 2016 Elsevier B.V. All rights reserved.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000384852500002 Publication Date 2016-08-30
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:137229 Serial 7977
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