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	Author	Man, L.F.; Xu, W.; Xiao, Y.M.; Wen, H.; Ding, L.; Van Duppen, B.; Peeters, F.M.
	Title	Terahertz magneto-optical properties of graphene hydrodynamic electron liquid			Type	A1 Journal article
	Year	2021	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	104	Issue	12	Pages	125420
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The discovery of the hydrodynamic electron liquid (HEL) in graphene [D. Bandurin et al., Science 351, 1055 (2016) and J. Crossno et al., Science 351, 1058 (2016)] has marked the birth of the solid-state HEL which can be probed near room temperature in a table-top setup. Here we examine the terahertz (THz) magneto-optical (MO) properties of a graphene HEL. Considering the case where the magnetic length l(B) = root h/eB is comparable to the mean-free path l(ee) for electron-electron interaction in graphene, the MO conductivities are obtained by taking a momentum balance equation approach on the basis of the Boltzmann equation. We find that when l(B) similar to l(ee), the viscous effect in a HEL can weaken significantly the THz MO effects such as cyclotron resonance and Faraday rotation. The upper hybrid and cyclotron resonance magnetoplasmon modes omega(+/-) are also obtained through the RPA dielectric function. The magnetoplasmons of graphene HEL at large wave-vector regime are affected by the viscous effect, and results in red-shifts of the magnetoplasmon frequencies. We predict that the viscosity in graphene HEL can affect strongly the magneto-optical and magnetoplasmonic properties, which can be verified experimentally.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000704419300004	Publication Date	2021-09-15
	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	1	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.836
	Call Number	UA @ admin @ c:irua:182518			Serial	7029
Permanent link to this record



	Author	Tiwari, S.; Vanherck, J.; Van de Put, M.L.; Vandenberghe, W.G.; Sorée, B.
	Title	Computing Curie temperature of two-dimensional ferromagnets in the presence of exchange anisotropy			Type	A1 Journal article
	Year	2021	Publication	Physical review research	Abbreviated Journal
	Volume	3	Issue	4	Pages	043024
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We compare three first-principles methods of calculating the Curie temperature in two-dimensional (2D) ferromagnetic materials (FM), modeled using the Heisenberg model, and propose a simple formula for estimating the Curie temperature with high accuracy that works for all common 2D lattice types. First, we study the effect of exchange anisotropy on the Curie temperature calculated using the Monte Carlo (MC), the Green's function, and the renormalized spin-wave (RNSW) methods. We find that the Green's function method overestimates the Curie temperature in high-anisotropy regimes compared to the MC method, whereas the RNSW method underestimates the Curie temperature compared to the MC and the Green's function methods. Next, we propose a closed-form formula for calculating the Curie temperature of 2D FMs, which provides an estimate of the Curie temperature that is greatly improved over the mean-field expression for magnetic material screening. We apply the closed-form formula to predict the Curie temperature 2D magnets screened from the C2DB database and discover several high Curie temperature FMs, with Fe2F2 and MoI2 emerging as the most promising 2D ferromagnets. Finally, by comparing to experimental results for CrI3, CrCl3, and CrBr3, we conclude that for small effective anisotropies, the Green's-function-based equations are preferable, while for larger anisotropies, MC-based results are more predictive.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000707506500001	Publication Date	2021-10-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:182522			Serial	6975
Permanent link to this record



	Author	Dong, H.M.; Tao, Z.H.; Duan, Y.F.; Li, L.L.; Huang, F.; Peeters, F.M.
	Title	Substrate dependent terahertz magneto-optical properties of monolayer WS2			Type	A1 Journal article
	Year	2021	Publication	Optics Letters	Abbreviated Journal	Opt Lett
	Volume	46	Issue	19	Pages	4892-4895
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Terahertz (THz) magneto-optical (MO) properties of monolayer (ML) tungsten disulfide (WS2), placed on different substrates and subjected to external magnetic fields, are studied using THz time-domain spectroscopy (TDS). We find that the THz MO conductivity exhibits a nearly linear response in a weak magnetic field, while a distinctly nonlinear/oscillating behavior is found in strong magnetic fields owing to strong substrate-induced random impurity scattering and interactions. The THz MO response of ML WS2 depends sensitively on the choice of the substrates, which we trace back to electronic localization and the impact of the substrates on the Landau level (LL) spectrum. Our results provide an in-depth understanding of the THz MO properties of ML WS2/substrate systems, especially the effect of substrates, which can be utilized to realize atomically thin THz MO nano-devices. (C) 2021 Optical Society of America
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000702746400048	Publication Date	2021-09-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0146-9592	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	3.416	Times cited	1	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.416
	Call Number	UA @ admin @ c:irua:182526			Serial	7023
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	Author	Yang, M.; Orekhov, A.; Hu, Z.-Y.; Feng, M.; Jin, S.; Sha, G.; Li, K.; Samaee, V.; Song, M.; Du, Y.; Van Tendeloo, G.; Schryvers, D.
	Title	Shearing and rotation of β'' and β' precipitates in an Al-Mg-Si alloy under tensile deformation : in-situ and ex-situ studies			Type	A1 Journal article
	Year	2021	Publication	Acta Materialia	Abbreviated Journal	Acta Mater
	Volume	220	Issue		Pages	117310
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The interaction between dislocations and nano-precipitates during deformation directly influences hardening response of precipitation-strengthening metals such as Al-Mg-Si alloys. However, how coherent and semi-coherent nano-precipitates accommodate external deformation applied to an Al alloy remains to be elucidated. In-situ tensile experiments in a transmission electron microscope (TEM) were conducted to study the dynamic process of dislocations cutting through coherent needle-like beta '' precipitates with diameters of 3 similar to 8 nm. Comprehensive investigations using in-situ, ex-situ TEM and atom probe tomography uncovered that beta '' precipitates were firstly sheared into small fragments, and then the rotation of the fragments, via sliding along precipitate/matrix interfaces, destroyed their initially coherent interface with the Al matrix. In contrast, semi-coherent beta' precipitates with sizes similar to beta '' were more difficult to be fragmented and accumulation of dislocations at the interface increased interface misfit between beta' and the Al matrix. Consequently, beta' precipitates could basically maintain their needle-like shape after the tensile deformation. This research gains new insights into the interaction between nano-precipitates and dislocations. (C) 2021 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000705535300005	Publication Date	2021-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.301
	Call Number	UA @ admin @ c:irua:182528			Serial	6884
Permanent link to this record



	Author	Zhao, H.; Li, C.-F.; Hu, Z.-Y.; Liu, J.; Li, Y.; Hu, J.; Van Tendeloo, G.; Chen, L.-H.; Su, B.-L.
	Title	Size effect of bifunctional gold in hierarchical titanium oxide-gold-cadmium sulfide with slow photon effect for unprecedented visible-light hydrogen production			Type	A1 Journal article
	Year	2021	Publication	Journal Of Colloid And Interface Science	Abbreviated Journal	J Colloid Interf Sci
	Volume	604	Issue		Pages	131-139
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Gold nanoparticles (Au NPs) with surface plasmonic resonance (SPR) effect and excellent internal electron transfer ability have widely been combined with semiconductors for photocatalysis. However, the in-depth effects of Au NPs in multicomponent photocatalysts have not been completely understood. Herein, ternary titanium oxide-gold-cadmium sulfide (TiO2-Au-CdS, TAC) photocatalysts, based on hierarchical TiO2 inverse opal photonic crystal structure with different Au NPs sizes have been designed to reveal the SPR effect and internal electron transfer of Au NPs in the presence of slow photon effect. It appears that the SPR effect and internal electron transfer ability of Au NPs, depending on their sizes, play a synergistic effect on the photocatalytic enhancement. The ternary TAC-10 photocatalyst with – 10 nm Au NPs demonstrates an unprecedented hydrogen evolution rate of 47.6 mmolh-1g 1 under visible-light, demonstrating- 48% enhancement comparing to the sample without slow photon effect. In particular, a 9.83% apparent quantum yield under 450 nm monochromatic light is achieved for TAC-10. A model is proposed and finite-difference time-domain (FDTD) simulations reveal the size influence of Au NPs in ternary TAC photocatalysts. This work suggests that the rational design of bifunctional Au NPs coupling with slow photon effect could largely promote hydrogen production from visible-light driven water splitting. (c) 2021 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000704428600004	Publication Date	2021-07-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9797	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.233	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.233
	Call Number	UA @ admin @ c:irua:182531			Serial	6886
Permanent link to this record



	Author	Scolfaro, D.; Finamor, M.; Trinchao, L.O.; Rosa, B.L.T.; Chaves, A.; Santos, P., V.; Iikawa, F.; Couto, O.D.D., Jr.
	Title	Acoustically driven stark effect in transition metal dichalcogenide monolayers			Type	A1 Journal article
	Year	2021	Publication	Acs Nano	Abbreviated Journal	Acs Nano
	Volume	15	Issue	9	Pages	15371-15380
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The Stark effect is one of the most efficient mechanisms to manipulate many-body states in nanostructured systems. In mono- and few-layer transition metal dichalcogenides, it has been successfully induced by optical and electric field means. Here, we tune the optical emission energies and dissociate excitonic states in MoSe2 monolayers employing the 220 MHz in-plane piezoelectric field carried by surface acoustic waves. We transfer the monolayers to high dielectric constant piezoelectric substrates, where the neutral exciton binding energy is reduced, allowing us to efficiently quench (above 90%) and red-shift the excitonic optical emissions. A model for the acoustically induced Stark effect yields neutral exciton and trion in-plane polarizabilities of 530 and 630 x 10(-5) meV/(kV/cm)(2), respectively, which are considerably larger than those reported for monolayers encapsulated in hexagonal boron nitride. Large in-plane polarizabilities are an attractive ingredient to manipulate and modulate multiexciton interactions in two-dimensional semiconductor nanostructures for optoelectronic applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000703553600129	Publication Date	2021-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 13.942
	Call Number	UA @ admin @ c:irua:182545			Serial	7415
Permanent link to this record



	Author	Chernozem, R., V; Romanyuk, K.N.; Grubova, I.; Chernozem, P., V.; Surmeneva, M.A.; Mukhortova, Y.R.; Wilhelm, M.; Ludwig, T.; Mathur, S.; Kholkin, A.L.; Neyts, E.; Parakhonskiy, B.; Skirtach, A.G.; Surmenev, R.A.
	Title	Enhanced piezoresponse and surface electric potential of hybrid biodegradable polyhydroxybutyrate scaffolds functionalized with reduced graphene oxide for tissue engineering			Type	A1 Journal article
	Year	2021	Publication	Nano Energy	Abbreviated Journal	Nano Energy
	Volume	89	Issue	B	Pages	106473
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Piezoelectricity is considered to be one of the key functionalities in biomaterials to boost bone tissue regeneration, however, integrating biocompatibility, biodegradability and 3D structure with pronounced piezoresponse remains a material challenge. Herein, novel hybrid biocompatible 3D scaffolds based on biodegradable poly(3-hydroxybutyrate) (PHB) and reduced graphene oxide (rGO) flakes have been developed. Nanoscale insights revealed a more homogenous distribution and superior surface potential values of PHB fibers (33 +/- 29 mV) with increasing rGO content up to 1.0 wt% (314 +/- 31 mV). The maximum effective piezoresponse was detected at 0.7 wt% rGO content, demonstrating 2.5 and 1.7 times higher out-of-plane and in-plane values, respectively, than that for pure PHB fibers. The rGO addition led to enhanced zigzag chain formation between paired lamellae in PHB fibers. In contrast, a further increase in rGO content reduced the alpha-crystal size and prevented zigzag chain conformation. A corresponding model explaining structural and molecular changes caused by rGO addition in electrospun PHB fibers is proposed. In addition, finite element analysis revealed a negligible vertical piezoresponse compared to lateral piezoresponse in uniaxially oriented PHB fibers based on alpha-phase (P2(1)2(1)2(1) space group). Thus, the present study demonstrates promising results for the development of biodegradable hybrid 3D scaffolds with an enhanced piezoresponse for various tissue engineering applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000703592700002	Publication Date	2021-08-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2211-2855	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.343	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 12.343
	Call Number	UA @ admin @ c:irua:182579			Serial	7914
Permanent link to this record



	Author	Mallick, S.; Khalsa, G.; Kaaret, J.Z.; Zhang, W.; Batuk, M.; Gibbs, A.S.; Hadermann, J.; Halasyamani, P.S.; Benedek, N.A.; Hayward, M.A.
	Title	The influence of the 6s² configuration of Bi³+ on the structures of A ' BiNb₂O₇ (A ' = Rb, Na, Li) layered perovskite oxides			Type	A1 Journal article
	Year	2021	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal
	Volume	50	Issue	42	Pages	15359-15369
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Solid state compounds which exhibit non-centrosymmetric crystal structures are of great interest due to the physical properties they can exhibit. The 'hybrid improper' mechanism – in which two non-polar distortion modes couple to, and stabilize, a further polar distortion mode, yielding an acentric crystal structure – offers opportunities to prepare a range of novel non-centrosymmetric solids, but examples of compounds exhibiting acentric crystal structures stabilized by this mechanism are still relatively rare. Here we describe a series of bismuth-containing layered perovskite oxide phases, RbBiNb2O7, LiBiNb2O7 and NaBiNb2O7, which have structural frameworks compatible with hybrid-improper ferroelectricity, but also contain Bi3+ cations which are often observed to stabilize acentric crystal structures due to their 6s(2) electronic configurations. Neutron powder diffraction analysis reveals that RbBiNb2O7 and LiBiNb2O7 adopt polar crystal structures (space groups I2cm and B2cm respectively), compatible with stabilization by a trilinear coupling of non-polar and polar modes. The Bi3+ cations present are observed to enhance the magnitude of the polar distortions of these phases, but are not the primary driver for the acentric structure, as evidenced by the observation that replacing the Bi3+ cations with Nd3+ cations does not change the structural symmetry of the compounds. In contrast the non-centrosymmetric, but non-polar structure of NaBiNb2O7 (space group P2(1)2(1)2(1)) differs significantly from the centrosymmetric structure of NaNdNb2O7, which is attributed to a second-order Jahn-Teller distortion associated with the presence of the Bi3+ cations.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000706651100001	Publication Date	2021-10-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1477-9234	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:182584			Serial	6893
Permanent link to this record



	Author	Baral, P.; Orekhov, A.; Dohmen, R.; Coulombier, M.; Raskin, J.P.; Cordier, P.; Idrissi, H.; Pardoen, T.
	Title	Rheology of amorphous olivine thin films characterized by nanoindentation			Type	A1 Journal article
	Year	2021	Publication	Acta Materialia	Abbreviated Journal	Acta Mater
	Volume	219	Issue		Pages	117257
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The rheological properties of amorphous olivine thin films deposited by pulsed laser deposition have been studied based on ambient temperature nanoindentation under constant strain-rate as well as re-laxation conditions. The amorphous olivine films exhibit a viscoelastic-viscoplastic behavior with a significant rate dependency. The strain-rate sensitivity m is equal to similar to 0 . 05 which is very high for silicates, indicating a complex out-of-equilibrium structure. The minimum apparent activation volume determined from nanoindentation experiments corresponds to Mg and Fe atomic metallic sites in the (Mg,Fe)(2)SiO4 crystalline lattice. The ambient temperature creep behavior of the amorphous olivine films differs very much from the one of single crystal olivine. This behavior directly connects to the recent demonstration of the activation of grain boundary sliding in polycrystalline olivine following grain boundary amorphization under high-stress. (C) 2021 The Authors. Published by Elsevier Ltd on behalf of Acta Materialia Inc.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000706867800004	Publication Date	2021-08-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6454	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.301	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 5.301
	Call Number	UA @ admin @ c:irua:182592			Serial	6882
Permanent link to this record



	Author	Chen, Q.; Guo, A.-M.; Liu, J.; Peeters, F.M.; Sun, Q.-F.
	Title	Topological phase transitions and Majorana zero modes in DNA double helix coupled to s-wave superconductors			Type	A1 Journal article
	Year	2021	Publication	New Journal Of Physics	Abbreviated Journal	New J Phys
	Volume	23	Issue	9	Pages	093047
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Topological properties of a double-stranded DNA (dsDNA) proximity-coupled by an s-wave superconductor are investigated, in which the energy spectra and the differential conductance are calculated within the framework of tight-binding approximation. Our results indicate that this dsDNA-superconductor system hosts Majorana zero modes (MZMs) when the Zeeman field is perpendicular to the helix axis, whereas no MZM could be observed when the Zeeman field is parallel to the helix axis, in sharp contrast to previous studies on nanowires including single-stranded DNA. In particular, two topological phase transitions could take place in the dsDNA-superconductor system by changing the Zeeman field, one from a topological trivial phase to a topological nontrivial phase with one pair of MZMs in small Zeeman field regime, and the other from a phase with one pair of MZMs to a phase with two pairs of MZMs by further increasing the Zeeman field. In the presence of a gate field normal to the helix axis, the topological nontrivial phase with two pairs of MZMs can transform into the phase with one pair of MZMs. The topological phase with one pair of MZMs is more stable and robust against Anderson disorder.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000702122000001	Publication Date	2021-09-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1367-2630	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.786	Times cited	4	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.786
	Call Number	UA @ admin @ c:irua:182597			Serial	7033
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	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
Permanent link to this record



	Author	Blidar, A.-M.
	Title	The development of sensitive and selective electrochemical methods for the detection of antibiotics			Type	Doctoral thesis
	Year	2021	Publication		Abbreviated Journal
	Volume		Issue		Pages	139 p.
	Keywords	Doctoral thesis; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	The discovery of antibiotics represented one of the greatest breakthroughs in medicine. Their success combined with an increasing intensive use is apparently bound to be also their undoing. This is due to the development of acquired antibiotic resistance, leading to inefficient antibiotherapy and even to the impossibility of treatment and death. The development and spread of antibiotic resistance are fueled by the widespread presence of trace levels of antibiotics residue, in various media, from environment to aliments. One of the solutions is the rigorous monitoring of the levels of antibiotics, which in term requires an almost constant development of new, more accessible analytical methods, especially screening methods, capable of decentralized analysis. In this direction, the electrochemical detection of antibiotics represents a very viable alternative. In this context, the aim of this thesis was to develop new electrochemical methods for the detection of antibiotics by employing and expanding on several strategies, like biomimetic sensors and electrochemical fingerprinting. Five studies were described in this thesis, that can be roughly divided in three categories, based on the analytical strategy employed. The first group is represented by direct electrochemical methods. The second group focuses on the use of biomimetic elements, molecularly imprinted polymers and aptamers. The hyphenation of electrochemical methods with other analytical methods was explored in the last group. In the last study, included in this group, the singlet oxygen-based photoelectrochemical approach was used for the detection of a phenolic antibiotic, rifampicin. The originality of the thesis consists in the testing and development of new approaches to various strategies used in electrochemical detection, revealing new insights in the field of electrochemical detection of antibiotics. The complex electrochemical fingerprint and the mechanism of the electrochemical oxidation were created and investigated, respectively, for the antibiotic vancomycin. New sensitive nanoplatforms were prepared by employing and combining new protocols. Additionally, important contributions were brought through the study involving the singlet oxygen-based detection of rifampicin. We demonstrated how a photocatalyst can exhibit analyte selectivity by strongly interacting with a complex phenolic compound, rifampicin. Summing up, the studies presented in this thesis will have an important impact in the field of electrochemical detection of antibiotics.
	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:182955			Serial	7804
Permanent link to this record



	Author	Gonzalez Garcia, A.
	Title	Tuning the properties of group III-As in the thinnest limit : a theoretical study of single layer and 2D-heterostructures			Type	Doctoral thesis
	Year	2021	Publication		Abbreviated Journal
	Volume		Issue		Pages	xvii, 175 p.
	Keywords	Doctoral thesis; Condensed Matter Theory (CMT)
	Abstract	In this thesis, a first-principles research to tune the physical properties of group III-V materials in the thinnest limit is carried out. Among the different methods to tune the mechanical, electronic and magnetic properties of these graphene related materials, we use: two-dimensional (2D) multilayers, straintronics, hydrogen functionalization, and transition metal adsorption. The first part of this research is devoted to a complete characterization of the structural, electronic, mechanical and vibrational properties of 2D group III-As monolayers, obtained from density functional theory. Our findings are used to understand the contribution of the
	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:182959			Serial	7040
Permanent link to this record



	Author	Lavor, I.R.; Chaves, A.; Peeters, F.M.; Van Duppen, B.
	Title	Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures			Type	A1 Journal article
	Year	2021	Publication	2d Materials	Abbreviated Journal	2D Mater
	Volume		Issue		Pages	015018
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000722020100001	Publication Date	2021-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	6.937	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 6.937
	Call Number	UA @ admin @ c:irua:183053			Serial	7036
Permanent link to this record



	Author	Gielis, J.; Ricci, P.E.; Tavkhelidze, I.
	Title	The Möbius phenomenon in Generalized Möbius-Listing surfaces and bodies, and Arnold's Cat phenomenon			Type	A1 Journal article
	Year	2021	Publication	Advanced Studies : Euro-Tbilisi Mathematical Journal	Abbreviated Journal
	Volume	14	Issue	4	Pages	17-35
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Möbius bands have been studied extensively, mainly in topology. Generalized Möbius-Listing surfaces and bodies providing a full geometrical generalization, is a quite new field, motivated originally by solutions of boundary value problems. Analogous to cutting of the original Möbius band, for this class of surfaces and bodies, results have been obtained when cutting such bodies or surfaces. In general, cutting leads to interlinked and intertwined different surfaces or bodies, resulting in very complex systems. However, under certain conditions, the result of cutting can be a single surface or body, which reduces complexity considerably. Our research is motivated by this reduction of complexity. In the study of cutting Generalized Möbius-Listing bodies with polygons as cross section, the conditions under which a single body results, displaying the Möbius phenomenon of a one-sided body, have been determined for even and odd polygons. These conditions are based on congruence and rotational symmetry of the resulting cross sections after cutting, and on the knife cutting the origin. The Möbius phenomenon is important, since the process of cutting (or separation of zones in a GML body in general) then results in a single body, not in different, intertwined domains. In all previous works it was assumed that the cross section of the GML bodies is constant, but the main result of this paper is that it is sufficient that only one cross section on the whole GML structure meets the conditions for the Möbius phenomenon to occur. Several examples are given to illustrate this.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000774655100002	Publication Date
	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	OpenAccess
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:183081			Serial	8258
Permanent link to this record



	Author	Gielis, J.
	Title	Er bestaan geen absurde, irrationele, onregelmatige of onderling niet-onmeetbare meetkundige getallen			Type	A2 Journal article
	Year	2021	Publication	Wiskunde en onderwijs	Abbreviated Journal
	Volume	47	Issue	188	Pages	23-33
	Keywords	A2 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	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	2032-0485	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:183083			Serial	7934
Permanent link to this record



	Author	Esguerra, J.L.
	Title	Developing strategies for improved economic performance and reduced climate impact of landfill mining in Europe			Type	Doctoral thesis
	Year	2021	Publication		Abbreviated Journal
	Volume		Issue		Pages	xiv, 99 p.
	Keywords	Doctoral thesis; Economics; Engineering Management (ENM)
	Abstract	Landfill mining refers to the re-circulation of resources from the previously deposited wastes–integrating resource recovery with traditional site remediation. Several resources that can be recovered include scrap metals, combustibles, and inert materials. In addition, land can be recovered or landfill void space can be liberated for future wastes. At present, landfill mining is still an emerging concept with few project implementations. Consequently, the assessments of its economic and climate implications are case study-specific, limiting the understanding of its potential in a wider geographical scope. This thesis aims to assess the economic performance and climate impact of landfill mining in Europe towards the development of sound strategies for implementation. Different project setups are assessed in relation to varying factors at the site level such as waste composition and landfill settings, and at the system level such as policy and market conditions and background material and energy. In doing so, a factor-based method is developed and applied to generate multiple scenarios (531, 441 scenarios per project setup) and determine the underlying important factors and their interrelations that drive the results. Such understanding is used to develop and discuss strategies for improvement by addressing relevant questions for specific stakeholders, including project investors (i.e., which landfill sites to prioritize?), landfill mining practitioners (i.e., how to set up such projects?), and policymakers (i.e., which policy instruments can effectively support such projects?). Results show that landfill mining is preferable in terms of climate than economy. Possible improvements are shown by internalizing thermal treatment of combustibles and extending fines residue utilization as construction aggregates. In relation to the choice of project setups, preferable site and system-level conditions are identified in general but it is also discussed that the plausibility of finding such conditions may be difficult at present. This steers the development of more tailored strategies on what can be done now by the landfill practitioners in terms of setting up projects under current policy and market conditions in specific regions, or what can be done by the policymakers in terms of implementing various policy instruments that can drive such changes at the system level. Through this thesis, the future of landfill mining research is guided towards addressing key challenges and potential solutions for improvement. Furthermore, this thesis highlights the role of assessment as a tool for learning and guiding the development of emerging concepts such as landfill mining.
	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	978-91-7929-056-6	Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:183155			Serial	6920
Permanent link to this record



	Author	Zhang, L.
	Title	Characteristic diagnosis of atmospheric discharge plasma and kinetics study of reactive species			Type	Doctoral thesis
	Year	2021	Publication		Abbreviated Journal
	Volume		Issue		Pages	XVIII, 148 p.
	Keywords	Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Low-temperature plasma has received extensive attention due to its promising application prospects in the field of air pollutants degradation and energy conversion. To fulfill the need for particular applications, constructing stable plasma sources and investigating the interaction mechanisms between plasma and substances have been hot research topics. This thesis reports the diagnosis and improvement of plasma sources, diagnosis of the active species in plasma and a modeling study of chemical kinetics processes. The main research contents are as follows: In Chapter 3, a diffuse sine AC dielectric barrier discharge (DBD) is successfully obtained by optimizing the electrode structure. It is found that using double-layer dielectric plates can limit the discharge current intensity and significantly improve the discharge uniformity. The electrical characteristics and gas temperature with different operating time show that the discharge stability is also improved by using double-layer dielectric plates. In Chapter 4, nanosecond pulses are employed to generate diffuse DBD plasmas. Three main discharge stages are distinguished by ICCD images, i.e., the streamer breakdown from the needle tip to the plate electrode, the regime transition from streamer to diffuse plasma, and the propagation of surface discharge on the plate electrode surface. The chapter reveales that in nanosecond pulsed discharges the vibrational temperature of N2 increases with the discharge duration, while the rotational temperature mainly stays constant, which means electron energy is transferred into the vibrational levels, but gas heating is not obvious during the discharge pulse. In Chapter 5, both sine AC DBD and nanosecond pulsed DBD, studied in Chapter 2 and 3, are used for formaldehyde degradation. It is found that nanosecond pulsed DBD has more homogenous characteristics, better stability, and lower plasma gas temperature. Moreover, the energy consumption of nanosecond pulsed DBD is much lower than that of AC DBD. In Chapter 6, a 0D chemical kinetics model is developed to investigate the underlying plasma chemistry of methane dry reforming in a nanosecond pulsed discharge. An overview of the dominant reaction pathways of CO2 and CH4 conversion into the major products is given. Furthermore, most of the CO2 molecules are populated into vibrational states during the pulse. Hence, the vibrational states of CO2 play an important role in its dissociation process. In general, this PhD thesis contributes to a better insight in the mechanisms of sinusoidal AC DBD and nanosecond pulsed DBD plasmas and their applications, i.e., decomposition of formaldehyde and dry reforming of methane.
	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:183166			Serial	7605
Permanent link to this record



	Author	Drăgan, A.-M.; Parrilla, M.; Feier, B.; Oprean, R.; Cristea, C.; De Wael, K.
	Title	Analytical techniques for the detection of amphetamine-type substances in different matrices : a comprehensive review			Type	A1 Journal article
	Year	2021	Publication	Trac-Trends In Analytical Chemistry	Abbreviated Journal	Trac-Trend Anal Chem
	Volume	145	Issue		Pages	116447
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	This current review focuses on contributions to amphetamine-type substances (ATS) analysis. This type of synthetic illicit drugs has been increasingly present worldwide reaching 5% of the market on illicit drugs in 2019. The increment of their production in many clandestine laboratories and easy distribution among society are two of the main concerns towards the battle against synthetic drugs. Therefore, the first part of this review details the classification and mechanism of action of ATS in the human body. Second, the pharmacological and toxicological effects of ATS on human health are described to motivate the need of early detection of ATS. Subsequently, the most used laboratory-based and portable methods are presented and critically discussed along the review. Finally, a careful discussion on the advantages and disadvantages of portable techniques employed on the field are addressed as potential tools for on-site ATS detection by law enforcement officers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000723747000009	Publication Date	2021-09-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0165-9936; 1879-3142	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.442	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 8.442
	Call Number	UA @ admin @ c:irua:183268			Serial	7460
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	Author	Van Tendeloo, M.; Bundervoet, B.; Carlier, N.; Van Beeck, W.; Mollen, H.; Lebeer, S.; Colsen, J.; Vlaeminck, S.E.
	Title	Piloting carbon-lean nitrogen removal for energy-autonomous sewage treatment			Type	A1 Journal article
	Year	2021	Publication	Environmental Science-Water Research & Technology	Abbreviated Journal	Environ Sci-Wat Res
	Volume	7	Issue	12	Pages	2268-2281
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Energy-autonomous sewage treatment can be achieved if nitrogen (N) removal does not rely on organic carbon (∼chemical oxygen demand, COD), so that a maximum of the COD can be redirected to energy recovery. Shortcut N removal technologies such as partial nitritation/anammox and nitritation/denitritation are therefore essential, enabling carbon- and energy-lean nitrogen removal. In this study, a novel three-reactor pilot design was tested and consisted of a denitrification, an intermittent aeration, and an anammox tank. A vibrating sieve was added for differential sludge retention time (SRT) control. The 13 m3 pilot was operated on pre-treated sewage (A-stage effluent) at 12–24 °C. Selective suppression of unwanted nitrite-oxidizing bacteria over aerobic ammonium-oxidizing bacteria was achieved with strict floccular SRT management combined with innovative aeration control, resulting in a minimal nitrate production ratio of 17 ± 10%. Additionally, anoxic ammonium-oxidizing bacteria (AnAOB) activity could be maintained in the reactor for at least 150 days because of long granular SRT management and the anammox tank. Consequently, the COD/N removal ratio of 2.3 ± 0.7 demonstrated shortcut N removal almost three times lower than the currently applied nitrification/denitrification technology. The effluent total N concentrations of 17 ± 3 mg TN per L (at 21 ± 1 °C) and 17 ± 6 mg TN per L (at 15 ± 1 °C) were however too high for application at the sewage treatment plant Nieuwveer (Breda, The Netherlands). Corresponding N removal efficiencies were 52 ± 12% and 37 ± 21%, respectively. Further development should focus on redirecting more nitrite to AnAOB in the B-stage, exploring effluent-polishing options, or cycling nitrate for increased A-stage denitrification.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000714159900001	Publication Date	2021-10-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1400	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.817	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 2.817
	Call Number	UA @ admin @ c:irua:183347			Serial	8383
Permanent link to this record



	Author	Alemam, E.
	Title	Cleaning of wall paintings by Polyvinyl alcohol–Borax/Agarose (PVA–B/AG) double network hydrogels : characterization, assessment, and applications			Type	Doctoral thesis
	Year	2021	Publication		Abbreviated Journal
	Volume		Issue		Pages	184 p.
	Keywords	Doctoral thesis; Engineering sciences. Technology; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES); Antwerp X-ray Imaging and Spectroscopy (AXIS)
	Abstract	Wall paintings make up an important section of cultural heritage. They resemble time portals that can be used to travel back into the past and witness the life of our ancestors. In these paintings, the ancient artists depicted the different aspects of their life, such as cooking, baking, farming, manufacturing, as well as thoughts and beliefs. Unfortunately, wall paintings are susceptible to degradation over time in the form of the accumulations of dirt and deposits on the painted surfaces and loss of adhesion of the paint layers at the surface. Therefore, the removal of these deposits is one of the primary duties of conservator-restorers. Such operations are intended to restore the painted surface to a condition close enough to its original state. Since cleaning artworks may cause undesirable physicochemical alterations and is nonreversible, the proper cleaning procedure should be adopted. In this regard, numerous gels have been developed and exploited for the cleaning of various artwork surfaces. Lately, polyvinyl alcohol-borax (PVA-B) and agarose (AG) hydrogels have been widely employed as cleaning materials by conservator-restorers. However, both hydrogels have shown limitations in specific cleaning practices. In this work, we investigated a new double network hydrogel based on blending PVA-B and agarose to avoid the limitations posed by the constituting hydrogels. For this reason, a detailed characterization of the PVA–B/AG double network hydrogel was performed, including chemical structure, liquid phase retention, mechanical strength, rheological behavior, and self-healing behavior of various PVA-B/AG hydrogels. These new hydrogels revealed better properties than PVA-B and agarose hydrogels and obviated their limitations. A laboratory experiment on the removal of deteriorated Paraloid® B72 proved that the PVA-B/AG hydrogel loaded 10%/10% MEK/1-PeOH was able to remove these layers efficiently. Therefore, the hydrogel was tested on a wall painting from the Temple of Seti I in Abydos – Egypt. It removed the glossy/darkened consolidant from the wall painting and restored the original matt appearance of the painted surface. In another application on the painted ceiling of the same temple, the hydrogel was tested for removing thick soot layers. The hydrogel formulation (loaded with 5% ammonia, 0.3% ammonium carbonate, and 0.3% EDTA) removed these layers with no noticeable damage to the paint layers. In a wide-scale application of the hydrogel (loaded with 10% propylene carbonate), it removed a highly deteriorated varnish layer from a 19-c wall painting. All the traditional cleaning methods employed caused damage to the paint layers, proving that gel cleaning can be a safer cleaning alternative in some cases.
	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:183381			Serial	7671
Permanent link to this record



	Author	Peeters, M.
	Title	The added value of Smart Product-Service Systems to real estate developments			Type	Doctoral thesis
	Year	2021	Publication		Abbreviated Journal
	Volume		Issue		Pages	117 p.
	Keywords	Doctoral thesis; Economics; Engineering Management (ENM); Internet Data Lab (IDLab)
	Abstract	Socially responsible investments can be defined as an investment process that integrates ethical values and environmental protection, improving social conditions, and good governance into a traditional investment decision. This integration is mainly a consequence of the growing importance that investors give to environmental, social, and governance (ESG) criteria, resulting in more sustainable development. Also, in the real estate sector, increased attention is being paid to the contributions made to integrate economic, environmental, and social factors into decisions. The ESG framework looks closely at how companies are managed, and the impact related to their market value. The factors for investors’ focus are summarized as environmental, social, and governance. The term ESG was coined in a 2004 United Nations (UN) report titled “Who Cares Wins,” aimed at raising awareness regarding the importance of environmental, social, and corporate governance issues in financial markets. The ESG criteria’s specific purpose is to guide investors in recognizing sustainable investments without evaluating how sustainable the asset is or the investment value represented by sustainability. It is essential to underline that ESG does not take specific economic interests into account. The rationale behind this apparent gap is that investors investigate the economic aspects before investing. However, by not explicitly linking ESG and economic criteria, attractive investments are often misjudged and not implemented. For example, investments that only show their value in the longer term or indirectly influence value by achieving a higher retention rate among incumbent tenants, reducing or eliminating friction costs. A product–service system (PSS) refers to a market proposition (business model) that builds on a product’s traditional functionality by incorporating additional services. Although services are already offered, the PSS function is to link the service to a product. The service thereby supports the operation of the product and generates additional benefits. It encompasses the integrated solutions of products and services to satisfy customers' needs and generate maximum value. According to Sutanto et al., a PSS is designed to focus on sustainability characterized in three dimensions. 1. The economic dimension 2. The environmental dimension 3. The social dimension When discussing sustainability in this thesis, we use the criteria listed above related to socially responsible investments. The link between PSS and ESG is that a PSS focuses on creating a sustainable system, and ESG makes sustainability more visible to investors. Therefore, when PSS are recognized and implemented in buildings, they must be evaluated using ESG analysis methods. Product-Service Systems (PSS) try to find a way to offer services on top of a product. The product is essentially secondary to the result that is delivered from the services. For example, the modem (product) that a cable company provides will be of secondary importance to the connectivity (service). Alternatively, it will be less critical how heat is made (product) than the intended set point is achieved in the building. PSSs transform the supply of products into services. In doing so, the responsibility shifts from delivering a product (once only) to continuous service delivery. Therefore, it is in the best interest of the service provider to deliver the outcome of the service as efficiently (read: lowest cost) as possible. A direct consequence of this is that the service provider will want to use the product as efficiently as possible and as long as possible to reduce his costs. Therefore, the supplier will also want to recover and maximize the reuse of his product based on the same rationale. A positive impact on the environment and the used raw materials is thus to be expected. The whole process of servitization (transforming products into services) in real estate will positively impact the Economic, Environmental and Social factors. Therefore, demonstrating this proposition is the main objective of this thesis. Smart PSS is the same idea as Product-Service systems but in which the digitization of the services plays a key role. It will be shown that by digitizing services, a broader range can be offered. It will be demonstrated that products that provide services at the building level can, through their interconnectedness, also provide services to external systems (e.g. electricity grid, urban planning, mobility, ...). At the same time, digitizing the products and services will also underpin trust in the systems and allow for proper remuneration. In this PhD, different standard systems in a building, such as the reservation system, the water heater, or the fire detection system, are equipped with additional services. A PSS is often specifically designed to focus on economic, social, and environmental dimensions. These dimensions correspond to the investor’s examination as part of the ESG analysis before investing. As the PSS is often specifically designed to integrate sustainability, there is a close link between the sustainability performance of the PSS and the ESG criteria evaluated by the investor. Throughout the work, the owner is considered to be the user of the building. It is not the case that only an owner-user can generate cash flow. In essence, if they have sufficient rights to the underlying product, any building user can activate services that generate cash flow. In today's market, it is logical that this is viewed in the owner-user context as they will usually choose the products to be installed in larger technical installations. They may have previously used a PSS or choose to move to one. However, a building’s tenant could choose to lease out their meeting rooms if they are not contractually prohibited from doing so since, in practice, contracts have begun to prohibit certain services. For example, rental contracts that actively prohibit renting out a property through platforms such as Airbnb. Thus, the user’s function could potentially impact how the PSS is designed. This work does not explicitly explore the impact of this aspect. The owner-user is assumed throughout this manuscript. The second chapter describes the state of affairs concerning PSSs in a broad framework evolving towards focusing on the real estate sector. After which, in the second chapter, ESG and the link to real estate and how smart real estate (smart buildings) is missing from this evaluation are discussed in more detail. Chapter 3 shows from a fire alarm system, which was extended with an evacuation support system, the usefulness, and the risk of data. Further work was done to demonstrate the added value in terms of Economic, Environmental and Social factors of standard installations in buildings. In Chapter 4, a simple sanitary hot water boiler is extended with a service that allows controlling this boiler according to the status of the electricity grid (surplus or shortage of energy). The supply and demand of energy on the power grid must be equal at all times. By equipping a classic water heater (product) with additional intelligence (service), it becomes possible to adjust the energy use to the grid's needs. The grid operators are prepared to pay for this. This payment can be linked to different energy markets (long term market, spot market, ...). This study looked at the fee that would have to be paid when the adjustment of the energy use can be made instantaneously so that the fee must be settled according to the prices on the imbalance market. In chapter 5, we look at the impact of the service to rent out free spaces as co-working places on a broad market (external to the building), compared to a regular reservation system. By renting out unused workplaces on a broad market, the utilization of the existing patrimony will be higher. The demand for new square meters with the same function will decrease as the supply-demand curve changes, and so will the price. This makes it less interesting to build new buildings. Less construction of new buildings will result in fewer resources being used, which will positively affect the environment. In addition, fewer new buildings with an office function will leave more space for buildings with another function. Also, the city's infrastructure will be less burdened (roads, sewerage, electricity grid,...). In The Hague, the decreasing need for new square meters of office buildings can lead to more space for affordable housing, for which the city has a great need. Chapter 6 will frame the valuation of service as a real options method that gives an impetus to a general valuation methodology to value the flexibility that Smart PSS inherently has. Finally, this thesis demonstrates that (smart) PSSs impact real estate profitability, while positively influencing environmental and social factors. Further research and the limitations of the studies conducted are documented. This PhD concludes that Product-Service systems should break the silos between different stakeholders, resulting in a lower total cost of ownership of buildings in the longer term. This can only be achieved if the valuation of Product-Service systems is done correctly and is recognized by every stakeholder in the real estate process.
	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:183415			Serial	6912
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	Author	Shi, R.; Choudhuri, D.; Kashiwar, A.; Dasari, S.; Wang, Y.; Banerjee, R.; Banerjee, D.
	Title	α phase growth and branching in titanium alloys			Type	A1 Journal article
	Year	2021	Publication	Philosophical magazine	Abbreviated Journal	Philos Mag
	Volume		Issue		Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The morphology and spatial distribution of alpha (α) precipitates have been mapped as a function of Mo content in Ti-Mo binary alloys employing a combinatorial approach. Heat-treatments were carried out on compositionally graded Ti-xMo samples processed using a rapid throughput laser engineered net shape (LENS) process. The composition space spans 1.5 at% to 6 at% Mo with ageing at 750°C, 650°C and 600°C following a β solution treatment. Three distinct regimes of α morphology and distribution were observed. These are colony-dominated microstructures originating from grain boundary α allotriomorphs, bundles of intragranular α laths, and homogeneously distributed individual fine-scale α laths. Branching of the α precipitates was observed in all these domains in a manner reminiscent of solid-state dendritic growth. The phenomenon is particularly apparent at low volume fractions of α. Similar features are present in a wide variety of alloy compositions. 3-dimensional features of such branched structures have been analysed. Simulation of the branching process by phase field methods incorporating anisotropy in the α/β interface energy and elasticity suggests that it can be initiated at growth ledges present at broad faces of the α laths, driven by the enhancement of the diffusion flux at these steps. The dependence of branching on various parameters such as supersaturation and diffusivity, and microstructural features like ledge height and distribution and the presence of adjacent α variants has been evaluated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000722082700001	Publication Date	2021-11-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-6435	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.505	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.505
	Call Number	UA @ admin @ c:irua:183616			Serial	6849
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	Author	Neelisetty, K.K.; Kumar C.N., S.; Kashiwar, A.; Scherer, T.; Chakravadhanula, V.S.K.; Kuebel, C.
	Title	Novel thin film lift-off process for in situ TEM tensile characterization			Type	A1 Journal article
	Year	2021	Publication	Microscopy And Microanalysis	Abbreviated Journal	Microsc Microanal
	Volume	27	Issue	S1	Pages	216-217
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2021-07-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1431-9276	ISBN		Additional Links	UA library record
	Impact Factor	1.891	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.891
	Call Number	UA @ admin @ c:irua:183617			Serial	6873
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	Author	Baij, L.; Liu, C.; Buijs, J.; Alvarez Martin, A.; Westert, D.; Raven, L.; Geels, N.; Noble, P.; Sprakel, J.; Keune, K.
	Title	Understanding and optimizing Evolon® CR for varnish removal from oil paintings			Type	A1 Journal article
	Year	2021	Publication	Heritage science	Abbreviated Journal
	Volume	9	Issue	1	Pages	155-17
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp X-ray Imaging and Spectroscopy (AXIS)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	2021-11-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7445	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:183747			Serial	8707
Permanent link to this record



	Author	Shaw, P.
	Title	Dual action of reactive species as signal and stress agents in plasma medicine : combined computational and experimental research			Type	Doctoral thesis
	Year	2021	Publication		Abbreviated Journal
	Volume		Issue		Pages	191 p.
	Keywords	Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Center for Oncological Research (CORE)
	Abstract	Reactive oxygen and nitrogen species (RONS) generated by cold atmospheric plasma (CAP) can activate discrete signaling transduction pathways or disrupt redox cellular homeostasis, depending on their concentration. This makes that CAP possesses therapeutic potential towards wound healing, cancer, and other diseases. In order to effectively use CAP in the clinic, a clear understanding of the interaction of RONS with biomolecules (lipids, proteins and nucleic acids) from the atomic to the macro scale, and their biological significance, is needed. In this work, I have therefore studied the dual role of CAP-derived RONS, i.e., (i) in the signaling pathways involved in wound healing, and (ii) in their reaction with biomolecules to cause oxidation-mediated damage. I performed computer simulations to provide fundamental insight about the occurring processes that are difficult or even impossible to obtain experimentally. Furthermore, next to computational studies, I used both 2D and 3D tissue cultures. 3D model allows proliferation in a more physiologically relevant geometry that stimulates the production of extracellular matrix proteins. I investigated the treatment of human gingival fibroblasts with low doses of CAP-generated RONS. This treatment demonstrated that it can inhibit colony formation but does not induce cell death, induce the expression of metalloprotease proteins, induce extracellular matrix degradation, and promote cell migration, which could result in enhanced wound healing. In contrast, at high concentrations, RONS can disrupt the cell membrane integrity and induce cancer cell death through oxidative stress-mediated pathways. I discovered how oxidation of the cell membrane (lipid-peroxidation) can facilitate the access of a drug (Melittin) into cancer cells, and in this way, reduce the required therapeutic dose of Melittin in melanoma and breast cancer cells (demonstrated using in vitro, in ovo and in silico approaches). Furthermore, I studied how excessive lipid-oxidation in chemoresistant pancreatic cancer cells promotes ferroptotic cell death. This was due to the stimulation of the iron-dependent Fenton reaction by targeting a redox specific signaling network. However, upon oxidative stress, cells protect themselves via a sophisticated intracellular antioxidant system that involves the regulation of glutathione/glutathione peroxidase 4 (lipid repair enzyme). Cancer cells exhibited increased levels of intracellular RONS due to their hyper metabolism, leading to high expression of anti-oxidant systems. I therefore focus on the effect of reactive species on the intracellular anti-oxidant system and corresponding DNA damages in both temozolomide-sensitive as well as temozolomide-resistant glioblastoma spheroids, in a 3-dimensional tumor model with a more complex tumor microenvironment than cell monolayers.
	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:183751			Serial	7828
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	Author	Madsen, J.; Pennycook, T.J.; Susi, T.
	Title	ab initio description of bonding for transmission electron microscopy			Type	A1 Journal article
	Year	2021	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	231	Issue		Pages
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The simulation of transmission electron microscopy (TEM) images or diffraction patterns is often required to interpret their contrast and extract specimen features. This is especially true for high-resolution phase-contrast imaging of materials, but electron scattering simulations based on atomistic models are widely used in materials science and structural biology. Since electron scattering is dominated by the nuclear cores, the scattering potential is typically described by the widely applied independent atom model. This approximation is fast and fairly accurate, especially for scanning TEM (STEM) annular dark-field contrast, but it completely neglects valence bonding and its effect on the transmitting electrons. However, an emerging trend in electron microscopy is to use new instrumentation and methods to extract the maximum amount of information from each electron. This is evident in the increasing popularity of techniques such as 4D-STEM combined with ptychography in materials science, and cryogenic microcrystal electron diffraction in structural biology, where subtle differences in the scattering potential may be both measurable and contain additional insights. Thus, there is increasing interest in electron scattering simulations based on electrostatic potentials obtained from first principles, mainly via density functional theory, which was previously mainly required for holography. In this Review, we discuss the motivation and basis for these developments, survey the pioneering work that has been published thus far, and give our outlook for the future. We argue that a physically better justified ab initio description of the scattering potential is both useful and viable for an increasing number of systems, and we expect such simulations to steadily gain in popularity and importance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000744190300006	Publication Date	2021-03-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 2.843
	Call Number	UA @ admin @ c:irua:183955			Serial	6850
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	Author	Ortiz-Aguayo, D.; De Wael, K.; del Valle, M.
	Title	Voltammetric sensing using an array of modified SPCE coupled with machine learning strategies for the improved identification of opioids in presence of cutting agents			Type	A1 Journal article
	Year	2021	Publication	Journal Of Electroanalytical Chemistry	Abbreviated Journal	J Electroanal Chem
	Volume	902	Issue		Pages	115770
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	This work reports the use of modified screen-printed carbon electrodes (SPCEs) for the identification of three drugs of abuse and two habitual cutting agents, caffeine and paracetamol, combining voltammetric sensing and chemometrics. In order to achieve this goal, codeine, heroin and morphine were subjected to Square Wave Voltammetry (SWV) at pH 7, in order to elucidate their electrochemical fingerprints. The optimized SPCEs electrode array, which have a differentiated response for the three oxidizable compounds, was derived from Carbon, Prussian blue, Cobalt (II) phthalocyanine, Copper (II) oxide, Polypyrrole and Palladium nanoparticles ink-modified carbon electrodes. Finally, Principal Component Analysis (PCA) coupled with Silhouette parameter assessment was used to select the most suitable combination of sensors for identification of drugs of abuse in presence of cutting agents.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000714415500006	Publication Date	2021-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1572-6657; 1873-2569	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.012	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.012
	Call Number	UA @ admin @ c:irua:184018			Serial	8745
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	Author	Juneja, R.; Thebaud, S.; Pandey, T.; Polanco, C.A.; Moseley, D.H.; Manley, M.E.; Cheng, Y.Q.; Winn, B.; Abernathy, D.L.; Hermann, R.P.; Lindsay, L.
	Title	Quasiparticle twist dynamics in non-symmorphic materials			Type	A1 Journal article
	Year	2021	Publication	Materials Today Physics	Abbreviated Journal
	Volume	21	Issue		Pages	100548
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a 'twist' dynamical description of quasiparticles (including phonons and Bloch electrons) in nonsymmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasi particle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications. (C) 2021 Published by Elsevier Ltd.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000708226400009	Publication Date	2021-09-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2542-5293	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:184040			Serial	7016
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	Author	Maes, R.R.; Potters, G.; Fransen, E.; Cayetano, F.C.; Van Schaeren, R.; Lenaerts, S.
	Title	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
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