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	Author	Ludu, A.
	Title	Fiber bundle description of flow and nonlinear hydrodynamics on circles			Type	A1 Journal article
	Year	2008	Publication	Journal of nonlinear mathematical physics	Abbreviated Journal	J Nonlinear Math Phy
	Volume	15	Issue		Pages	157-170
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We introduce a differential geometry description of the path lines, stream lines and particles contours in hydrodynamics. We present a generalized form of a Korteweg-de Vries type of equation for the exterior of a circle. Nonlinearities from the boundary conditions, surface tension and the Euler equations are taken into account, but the flow is considered inviscid and irrotational. For the circular case we describe the traveling waves shapes, solitons and the particles trajectories.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000263517200012	Publication Date	2008-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1402-9251;1776-0852;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.986	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 0.986; 2008 IF: 0.760
	Call Number	UA @ lucian @ c:irua:94603			Serial	1189
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	Author	Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
	Title	Homologous series of layered structures in binary and ternary Bi-Sb-Te-Se systems : ab initio study			Type	A1 Journal article
	Year	2014	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	89	Issue	5	Pages	054106-54109
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	In order to account explicitly for the existence of long-periodic layered structures and the strong structural relaxations in the most common binary and ternary alloys of the Bi-Sb-Te-Se system, we have developed a one-dimensional cluster expansion (CE) based on first-principles electronic structure calculations, which accounts for the Bi and Sb bilayer formation. Excellent interlayer distances are obtained with a van der Waals density functional. It is shown that a CE solely based on pair interactions is sufficient to provide an accurate description of the ground-state energies of Bi-Sb-Te-Se binary and ternary systems without making the data set of ab initio calculated structures unreasonably large. For the binary alloys A1−xQx (A=Sb, Bi; Q=Te, Se), a ternary CE yields an almost continuous series of (meta)stable structures consisting of consecutive A bilayers next to consecutive A2Q3 for 0<x<0.6. For x>0.6, the binary alloy segregates into pure Q and A2Q3. The Bi-Sb system is described by a quaternary CE and is found to be an ideal solid solution stabilized by entropic effects at T≠0 K but with an ordered structure of alternating Bi and Sb layers for x=0.5 at T=0 K. A quintuple CE is used for the ternary Bi-Sb-Te system, where stable ternary layered compounds with an arbitrary stacking of Sb2Te3, Bi2Te3, and Te-Bi-Te-Sb-Te quintuple units are found, optionally separated by mixed Bi/Sb bilayers. Electronic properties of the stable compounds were studied taking spin-orbit coupling into account.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000332420900001	Publication Date	2014-03-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	5	Open Access
	Notes	Fwo; Hercules			Approved	Most recent IF: 3.836; 2014 IF: 3.736
	Call Number	UA @ lucian @ c:irua:114910			Serial	1487
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	Author	Wende, K.; Williams, P.; Dalluge, J.; Van Gaens, W.; Aboubakr, H.; Bischof, J.; von Woedtke, T.; Goyal, S.M.; Weltmann, K.D.; Bogaerts, A.; Masur, K.; Bruggeman, P.J.;
	Title	Identification of the biologically active liquid chemistry induced by a nonthermal atmospheric pressure plasma jet			Type	A1 Journal article
	Year	2015	Publication	Biointerphases	Abbreviated Journal	Biointerphases
	Volume	10	Issue	10	Pages	029518
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The mechanism of interaction of cold nonequilibrium plasma jets with mammalian cells in physiologic liquid is reported. The major biological active species produced by an argon RF plasma jet responsible for cell viability reduction are analyzed by experimental results obtained through physical, biological, and chemical diagnostics. This is complemented with chemical kinetics modeling of the plasma source to assess the dominant reactive gas phase species. Different plasma chemistries are obtained by changing the feed gas composition of the cold argon based RF plasma jet from argon, humidified argon (0.27%), to argon/oxygen (1%) and argon/air (1%) at constant power. A minimal consensus physiologic liquid was used, providing isotonic and isohydric conditions and nutrients but is devoid of scavengers or serum constituents. While argon and humidified argon plasma led to the creation of hydrogen peroxide dominated action on the mammalian cells, argonoxygen and argonair plasma created a very different biological action and was characterized by trace amounts of hydrogen peroxide only. In particular, for the argonoxygen (1%), the authors observed a strong negative effect on mammalian cell proliferation and metabolism. This effect was distance dependent and showed a half life time of 30 min in a scavenger free physiologic buffer. Neither catalase and mannitol nor superoxide dismutase could rescue the cell proliferation rate. The strong distance dependency of the effect as well as the low water solubility rules out a major role for ozone and singlet oxygen but suggests a dominant role of atomic oxygen. Experimental results suggest that O reacts with chloride, yielding Cl2 − or ClO−. These chlorine species have a limited lifetime under physiologic conditions and therefore show a strong time dependent biological activity. The outcomes are compared with an argon MHz plasma jet (kinpen) to assess the differences between these (at least seemingly) similar plasma sources.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000357195600036	Publication Date	2015-05-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1934-8630;1559-4106;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.603	Times cited	137	Open Access
	Notes				Approved	Most recent IF: 2.603; 2015 IF: 3.374
	Call Number	c:irua:126774			Serial	1549
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	Author	Quintana, M.; López, A.M.; Rapino, S.; Toma, F.M.; Iurlo, M.; Carraro, M.; Sartorel, A.; Maccato, C.; Ke, X.; Bittencourt, C.; Da Ros, T.; Van Tendeloo, G.; Marcaccio, M.; Paolucci, F.; Prato, M.; Bonchio, M.;
	Title	Knitting the catalytic pattern of artificial photosynthesis to a hybrid graphene nanotexture			Type	A1 Journal article
	Year	2013	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	7	Issue	1	Pages	811-817
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The artificial leaf project calls for new materials enabling multielectron catalysis with minimal overpotential, high turnover frequency, and long-term stability. Is graphene a better material than carbon nanotubes to enhance water oxidation catalysis for energy applications? Here we show that functionalized graphene with a tailored distribution of polycationic, quaternized, ammonium pendants provides an sp(2) carbon nanoplatform to anchor a totally inorganic tetraruthenate catalyst, mimicking the oxygen evolving center of natural PSII. The resulting hybrid material displays oxygen evolution at overpotential as low as 300 mV at neutral pH with negligible loss of performance after 4 h testing. This multilayer electroactive asset enhances the turnover frequency by 1 order of magnitude with respect to the isolated catalyst, and provides a definite up-grade of the carbon nanotube material, with a similar surface functionalization. Our innovation is based on a noninvasive, synthetic protocol for graphene functionalization that goes beyond the ill-defined oxidation-reduction methods, allowing a definite control of the surface properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000314082800088	Publication Date	2012-12-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	69	Open Access
	Notes	246791 COUNTATOMS; 262348 ESMI; ESF Cost Action NanoTP MP0901			Approved	Most recent IF: 13.942; 2013 IF: 12.033
	Call Number	UA @ lucian @ c:irua:107707			Serial	1766
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	Author	Nishio, K.; Lu, A.K.A.; Pourtois, G.
	Title	Low-strain Si/O superlattices with tunable electronic properties : ab initio calculations			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	165303
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We propose that low-strain Si/O superlattices can be constructed by connecting reconstructed Si{001} surfaces by Si-O-Si bridges. Ab initio calculations show that our models are energetically more favorable than all the models proposed so far. The part of our Si/O superlattice model is experimentally accessible just by oxidizing a Si( 001) substrate. To complete our Si/O superlattice model, we propose a three-step method. We also explore the potential of our Si/O superlattice models for new materials used in future Si electronics. We find that the location of the channel where the carriers travel can be controlled between the interfaces and the Si layers by the insertion of O atoms into the Si-Si dimers. By revealing the origins of the interface electron and hole states, we find that similar interface states should be easily achieved for Si slabs and Si substrates. Interestingly, the interface electrons and holes have small effective masses in the direction parallel to the channel and large effective masses in the direction normal to the channel, which makes the Si/O superlattices attractive to be used for channel materials. We also find that the valley splitting of Si is enhanced by the formation of the Si/O/Si interfaces, which is ideal for developing Si-based qubits. Our findings open new perspectives to design and control the electronic properties of Si.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000352986700002	Publication Date	2015-04-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	6	Open Access
	Notes				Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:125998			Serial	1852
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	Author	Tongay, S.; Sahin, H.; Ko, C.; Luce, A.; Fan, W.; Liu, K.; Zhou, J.; Huang, Y.S.; Ho, C.H.; Yan, J.; Ogletree, D.F.; Aloni, S.; Ji, J.; Li, S.; Li, J.; Peeters, F.M.; Wu, J.;
	Title	Monolayer behaviour in bulk ReS₂ due to electronic and vibrational decoupling			Type	A1 Journal article
	Year	2014	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	5	Issue		Pages	3252
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Semiconducting transition metal dichalcogenides consist of monolayers held together by weak forces where the layers are electronically and vibrationally coupled. Isolated monolayers show changes in electronic structure and lattice vibration energies, including a transition from indirect to direct bandgap. Here we present a new member of the family, rhenium disulphide (ReS2), where such variation is absent and bulk behaves as electronically and vibrationally decoupled monolayers stacked together. From bulk to monolayers, ReS2 remains direct bandgap and its Raman spectrum shows no dependence on the number of layers. Interlayer decoupling is further demonstrated by the insensitivity of the optical absorption and Raman spectrum to interlayer distance modulated by hydrostatic pressure. Theoretical calculations attribute the decoupling to Peierls distortion of the 1T structure of ReS2, which prevents ordered stacking and minimizes the interlayer overlap of wavefunctions. Such vanishing interlayer coupling enables probing of two-dimensional-like systems without the need for monolayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000332666700010	Publication Date	2014-02-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-1723;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	806	Open Access
	Notes	; This work was supported by the United States Department of Energy Early Career Award DE-FG02-11ER46796. The high pressure part of this work was supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences, under National Science Foundation Cooperative Agreement EAR 11-577758. The electron microscopy and nano-Auger measurements were supported by the user programme at the Molecular Foundry, which was supported by the Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under contract no. DE-AC02-05CH11231. S. A. gratefully acknowledges Dr Virginia Altoe of the Molecular Foundry for help with the TEM data acquisition and analysis. J.L. acknowledges support from the Natural Science Foundation of China for Distinguished Young Scholar (grant nos. 60925016 and 91233120). Y.-S.H. and C.-H. H. acknowledge support from the National Science Council of Taiwan under project nos. NSC 100-2112-M-011-001-MY3 and NSC 101-2221-E-011-052-MY3. H. S. was supported by the FWO Pegasus Marie Curie Long Fellowship programme. The DFT work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Centre. ;			Approved	Most recent IF: 12.124; 2014 IF: 11.470
	Call Number	UA @ lucian @ c:irua:119247			Serial	2192
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	Author	Aierken, Y.; Sahin, H.; Iyikanat, F.; Horzum, S.; Suslu, A.; Chen, B.; Senger, R.T.; Tongay, S.; Peeters, F.M.
	Title	Portlandite crystal : bulk, bilayer, and monolayer structures			Type	A1 Journal article
	Year	2015	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	91	Issue	91	Pages	245413
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ca(OH)(2) crystals, well known as portlandite, are grown in layered form, and we found that they can be exfoliated on different substrates. We performed first principles calculations to investigate the structural, electronic, vibrational, and mechanical properties of bulk, bilayer, and monolayer structures of this material. Different from other lamellar structures such as graphite and transition-metal dichalcogenides, intralayer bonding in Ca(OH)(2) is mainly ionic, while the interlayer interaction remains a weak dispersion-type force. Unlike well-known transition-metal dichalcogenides that exhibit an indirect-to-direct band gap crossover when going from bulk to a single layer, Ca(OH)(2) is a direct band gap semiconductor independent of the number layers. The in-plane Young's modulus and the in-plane shear modulus of monolayer Ca(OH)(2) are predicted to be quite low while the in-plane Poisson ratio is larger in comparison to those in the monolayer of ionic crystal BN. We measured the Raman spectrum of bulk Ca(OH)(2) and identified the high-frequency OH stretching mode A(1g) at 3620 cm(-1). In this study, bilayer and monolayer portlandite [Ca(OH)(2)] are predicted to be stable and their characteristics are analyzed in detail. Our results can guide further research on ultrathin hydroxites.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000356135600007	Publication Date	2015-06-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	29	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem foundation of the Flemish government. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. is supported by a FWO Pegasus Long Marie Curie Fellowship. ;			Approved	Most recent IF: 3.836; 2015 IF: 3.736
	Call Number	c:irua:126983			Serial	2675
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	Author	Govaerts, K.; Sluiter, M.H.F.; Partoens, B.; Lamoen, D.
	Title	Stability of Sb-Te layered structures : first-principles study			Type	A1 Journal article
	Year	2012	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	85	Issue	14	Pages	144114-144114,8
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Using an effective one-dimensional cluster expansion in combination with first-principles electronic structure calculations we have studied the energetics and electronic properties of Sb-Te layered systems. For a Te concentration between 0 and 60 at. % an almost continuous series of metastable structures is obtained consisting of consecutive Sb bilayers next to consecutive Sb2Te3 units, with the general formula (Sb-2)(n)(Sb2Te3)(m) (n, m = 1,2, ... ). Between 60 and 100 at.% no stable structures are found. We account explicitly for the weak van derWaals bonding between Sb bilayers and Sb2Te3 units by using a recently developed functional, which strongly improves the interlayer bonding distances. At T = 0 K, no evidence is found for the existence of two separate single-phase regions delta and gamma and a two-phase region delta + gamma. Metastable compounds with a Te concentration between 0 and 40 at. % are semimetallic, whereas compounds with a Te concentration between 50 and 60 at. % are semiconducting. Compounds with an odd number of Sb layers are metallic and have a much higher formation energy than those with an even number of consecutive Sb layers, thereby favoring the formation of Sb bilayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000303115400004	Publication Date	2012-04-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	14	Open Access
	Notes	Iwt; Fwo			Approved	Most recent IF: 3.836; 2012 IF: 3.767
	Call Number	UA @ lucian @ c:irua:98255			Serial	3129
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	Author	Vodolazov, D.Y.; Baelus, B.J.; Peeters, F.M.
	Title	Stationary-phase slip state in quasi-one-dimensional rings			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	66	Issue	5	Pages	054531-54536
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The nonuniform superconducting state in a ring in which the order parameter vanishing at one point is studied. This state is characterized by a jump of the phase by pi at the point where the order parameter becomes zero. In uniform rings such a state is a saddle-point state and consequently unstable. However, for nonuniform rings with, e.g., variations of geometrical or physical parameters or with attached wires this state can be stabilized and may be realized experimentally.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000177873000137	Publication Date	2002-10-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	29	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:104147			Serial	3152
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	Author	Baelus, B.J.; Yampolskii, S.V.; Peeters, F.M.; Montevecchi, E.; Indekeu, J.O.
	Title	Superconducting properties of mesoscopic cylinders with enhanced surface superconductivity			Type	A1 Journal article
	Year	2002	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	65	Issue	2	Pages	024510-10
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The superconducting state of an infinitely long superconducting cylinder surrounded by a medium which enhances its superconductivity near the boundary is studied within the nonlinear Ginzburg-Landau theory. This enhancement can be due to the proximity of another superconductor or due to surface treatment. Quantities such as the free energy, the magnetization and the Cooper-pair density are calculated. Phase diagrams are obtained to investigate how the critical field and the critical temperature depend on this surface enhancement for different values of the Ginzburg-Landau parameter kappa. Increasing the superconductivity near the surface leads to higher critical fields and critical temperatures. For small cylinder diameters only giant vortex states nucleate, while for larger cylinders multivortices can nucleate. The stability of these multivortex states also depends on the surface enhancement. For type-I superconductors we found the remarkable result that for a range of values of the surface extrapolation length the superconductor can transit from the Meissner state into superconducting states with vorticity L > 1. Such a behavior is not found for the case of large kappa, i.e., type-II superconductivity,
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000173213100099	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 3.836; 2002 IF: NA
	Call Number	UA @ lucian @ c:irua:103890			Serial	3363
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	Author	Toledano-Luque, M.; Matagne, P.; Sibaja-Hernandez, A.; Chiarella, T.; Ragnarsson, L.-A.; Sorée, B.; Cho, M.; Mocuta, A.; Thean, A.
	Title	Superior reliability of junctionless pFinFETs by reduced oxide electric field			Type	A1 Journal article
	Year	2014	Publication	IEEE electron device letters	Abbreviated Journal	Ieee Electr Device L
	Volume	35	Issue	12	Pages	1179-1181
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Superior reliability of junctionless (JL) compared with inversion-mode field-effect transistors (FETs) is experimentally demonstrated on bulk FinFET wafers. The reduced negative bias temperature instability (NBTI) of JL pFETs outperforms the previously reported best NBTI reliability data obtained with Si channel devices and guarantees 10-year lifetime at typical operating voltages and high temperature. This behavior is understood through the reduced oxide electric field and lessened interaction between charge carriers and oxide traps during device operation. These findings encourage the investigation of JL devices with alternative channels as a promising alternative for 7-nm technology nodes meeting reliability targets.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000345575400006	Publication Date	2014-10-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0741-3106;1558-0563;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.048	Times cited	13	Open Access
	Notes	; This work was supported by the imec's Core Partner Program. The review of this letter was arranged by Editor J. Schmitz. ;			Approved	Most recent IF: 3.048; 2014 IF: 2.754
	Call Number	UA @ lucian @ c:irua:122192			Serial	3378
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	Author	van den Broek, B.; Houssa, M.; Lu, A.; Pourtois, G.; Afanas'ev, V.; Stesmans, A.
	Title	Silicene nanoribbons on transition metal dichalcogenide substrates : effects on electronic structure and ballistic transport			Type	A1 Journal article
	Year	2016	Publication	Nano Research	Abbreviated Journal	Nano Res
	Volume	9	Issue	9	Pages	3394-3406
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The idea of stacking multiple monolayers of different two-dimensional materials has become a global pursuit. In this work, a silicene armchair nanoribbon of width W and van der Waals-bonded to different transition-metal dichalcogenide (TMD) bilayer substrates MoX2 and WX2, where X = S, Se, Te is considered. The orbital resolved electronic structure and ballistic transport properties of these systems are simulated by employing van der Waals-corrected density functional theory and nonequilibrium Green's functions. We find that the lattice mismatch with the underlying substrate determines the electronic structure, correlated with the silicene buckling distortion and ultimately with the contact resistance of the two-terminal system. The smallest lattice mismatch, obtained with the MoTe2 substrate, results in the silicene ribbon properties coming close to those of a freestanding one. With the TMD bilayer acting as a dielectric layer, the electronic structure is tunable from a direct to an indirect semiconducting layer, and subsequently to a metallic electronic dispersion layer, with a moderate applied perpendicular electric field.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000386770300018	Publication Date	2016-08-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1998-0124	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.354	Times cited	2	Open Access
	Notes				Approved	Most recent IF: 7.354
	Call Number	UA @ lucian @ c:irua:138210			Serial	4469
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	Author	Lu, A.K.A.; Houssa, M.; Radu, I.P.; Pourtois, G.
	Title	Toward an understanding of the electric field-induced electrostatic doping in van der Waals heterostructures : a first-principles study			Type	A1 Journal article
	Year	2017	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	9	Issue	8	Pages	7725-7734
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Since the discovery of graphene, a broad range of two-dimensional (2D) materials has captured the attention of the scientific communities. Materials, such as hexagonal boron nitride (hBN) and the transition metal dichalcogenides (TMDs) family, have shown promising semiconducting and insulating properties that are very appealing for the semiconductor industry. Recently, the possibility of taking advantage of the properties of 2D-based heterostructures has been investigated for low-power nanoelectronic applications. In this work, we aim at evaluating the relation between the nature of the materials used in such heterostructures and the amplitude of the layer-to-layer charge transfer induced by an external electric field, as is typically present in nanoelectronic gated devices. A broad range of combinations of TMDs, graphene, and hBN has been investigated using density functional theory. Our results show that the electric field induced charge transfer strongly depends on the nature of the 2D materials used in the van der Waals heterostructures and to a lesser extent on the relative orientation of the materials in the structure. Our findings contribute to the building of the fundamental understanding required to engineer electrostatically the doping of 2D materials and to establish the factors that drive the charge transfer mechanisms in electron tunneling-based devices. These are key ingredients for the development of 2D -based nanoelectronic devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000395494200119	Publication Date	2017-02-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.504	Times cited	10	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 7.504
	Call Number	UA @ lucian @ c:irua:142483			Serial	4696
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	Author	Fedoseeva, Y.V.; Orekhov, A.S.; Chekhova, G.N.; Koroteev, V.O.; Kanygin, M.A.; Seovskiy, B.V.; Chuvilin, A.; Pontiroli, D.; Ricco, M.; Bulusheva, L.G.; Okotrub, A.V.
	Title	Single-walled carbon nanotube reactor for redox transformation of mercury dichloride			Type	A1 Journal article
	Year	2017	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	11	Issue	9	Pages	8643-8649
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Single-walled carbon nanotubes (SWCNTs) possessing a confined inner space protected by chemically resistant shells are promising for delivery, storage, and desorption of various compounds, as well as carrying out specific reactions. Here, we show that SWCNTs interact with molten mercury dichloride (HgCl2) and guide its transformation into dimercury dichloride (Hg2Cl2) in the cavity. The chemical state of host SWCNTs remains almost unchanged except for a small p-doping from the guest Hg2Cl2 nanocrystals. The density functional theory calculations reveal that the encapsulated HgCl2 molecules become negatively charged and start interacting via chlorine bridges when local concentration increases. This reduces the bonding strength in HgCl2, which facilitates removal of chlorine, finally leading to formation of Hg2Cl2 species. The present work demonstrates that SWCNTs not only serve as a template for growing nanocrystals but also behave as an electron-transfer catalyst in the spatially confined redox reaction by donation of electron density for temporary use by the guests.'));
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000411918200012	Publication Date	2017-08-07
	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	11	Open Access	Not_Open_Access
	Notes	; Collaboration between partner institutions was partially supported by European FP7 IRSES project 295180. We are grateful to the bilateral Program “Russian-German Laboratory at BESSY II” for the assistance in XPS and NEXAFS measurements. We acknowledge C. Tollan for proofreading the manuscript. We are grateful to Dr. Y.V. Shubin for XRD measurements of graphite with HgCl<INF>2</ INF>. ;			Approved	Most recent IF: 13.942
	Call Number	UA @ lucian @ c:irua:146770			Serial	4895
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	Author	Hu, L.; Amini, M.N.; Wu, Y.; Jin, Z.; Yuan, J.; Lin, R.; Wu, J.; Dai, Y.; He, H.; Lu, Y.; Lu, J.; Ye, Z.; Han, S.-T.; Ye, J.; Partoens, B.; Zeng, Y.-J.; Ruan, S.
	Title	Charge transfer doping modulated raman scattering and enhanced stability of black phosphorus quantum dots on a ZnO nanorod			Type	A1 Journal article
	Year	2018	Publication	Advanced Optical Materials	Abbreviated Journal	Adv Opt Mater
	Volume	6	Issue	15	Pages	1800440
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Black phosphorus (BP) has recently triggered an unprecedented interest in the 2D community. However, many of its unique properties are not exploited and the well-known environmental vulnerability is not conquered. Herein, a type-I mixed-dimensional (0D-1D) van der Waals heterojunction is developed, where three-atomic-layer BP quantum dots (QDs) are assembled on a single ZnO nanorod (NR). By adjusting the indium (In) content in ZnO NRs, the degree and even the direction of surface charge transfer doping within the heterojunction can be tuned, which result in selective Raman scattering enhancements between ZnO and BP. The maximal enhancement factor is determined as 4340 for BP QDs with sub-ppm level. Furthermore, an unexpected long-term ambient stability (more than six months) of BP QDs is revealed, which is ascribed to the electron doping from ZnO:In NRs. The first demonstration of selective Raman enhancements between two inorganic semiconductors as well as the improved stability of BP shed light on this emerging 2D material.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000440815200023	Publication Date	2018-05-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2195-1071	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.875	Times cited	37	Open Access	Not_Open_Access
	Notes	; L. Hu and M. N. Amini contributed equally to this work. This work was supported by the National Natural Science Foundation of China under Grant Nos. 51502178, 81571763 and 81622026, the Shenzhen Science and Technology Project under Grant Nos. JCYJ20150324141711644, JCYJ20170412105400428, KQJSCX20170727101208249 and JCYJ20170302153853962. Parts of the computational calculations were carried out using the HPC infrastructure at University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center VSC, supported financially by the FWO-Vlaanderen and the Flemish Government (EWI Department). L. H. acknowledges the PhD Start-up Fund of Natural Science Foundation of Guangdong Province under Grand No. 2017A030310072. J. Y. acknowledges the funding of Shanghai Jiao Tong University (Nos. YG2016MS51 and YG2017MS54). ;			Approved	Most recent IF: 6.875
	Call Number	UA @ lucian @ c:irua:153112UA @ admin @ c:irua:153112			Serial	5082
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	Author	Demiroglu, I.; Peeters, F.M.; Gulseren, O.; Cakir, D.; Sevik, C.
	Title	Alkali metal intercalation in MXene/graphene heterostructures : a new platform for ion battery applications			Type	A1 Journal article
	Year	2019	Publication	The journal of physical chemistry letters	Abbreviated Journal	J Phys Chem Lett
	Volume	10	Issue	4	Pages	727-734
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The adsorption and diffusion of Na, K, and Ca atoms on MXene/graphene heterostructures of MXene systems Sc2C(OH)(2), Ti2CO2, and V2CO2 are systematically investigated by using first-principles methods. We found that alkali metal intercalation is energetically favorable and thermally stable for Ti2CO2/graphene and V2CO2/graphene heterostructures but not for Sc2C(OH)(2). Diffusion kinetics calculations showed the advantage of MXene/graphene heterostructures over sole MXene systems as the energy barriers are halved for the considered alkali metals. Low energy barriers are found for Na and K ions, which are promising for fast charge/discharge rates. Calculated voltage profiles reveal that estimated high capacities can be fully achieved for Na ion in V2CO2/graphene and Ti2CO2/graphene heterostructures. Our results indicate that Ti2CO2/graphene and V2CO2/graphene electrode materials are very promising for Na ion battery applications. The former could be exploited for low voltage applications while the latter will be more appropriate for higher voltages.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000459948800005	Publication Date	2019-01-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1948-7185	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.353	Times cited	88	Open Access
	Notes	; We acknowledge the support from the TUBITAK (116F080) and the BAGEP Award of the Science Academy. Part of this work was supported by the FLAG -ERA project TRANS-2D-TMD. A part of this work was supported by University of North Dakota Early Career Award (Grant number: 20622-4000-02624). We also acknowledge financial support from ND EPSCoR through NSF grant OIA-1355466. Computational resources were provided by the High Performance and Grid Computing Center (TRGrid e-Infrastructure) of TUBITAK ULAKBIM, the National Center for High Performance Computing (UHeM) of Istanbul Technical University, and Computational Research Center (HPC Linux cluster) at the University of North Dakota. This work was performed, in part, at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User Facility, and supported by the U.S. Department of Energy, Office of Science, under contract no. DE-AC02-06CH11357. ;			Approved	Most recent IF: 9.353
	Call Number	UA @ admin @ c:irua:158618			Serial	5194
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	Author	Mefford, J.T.; Kurilovich, A.A.; Saunders, J.; Hardin, W.G.; Abakumov, A.M.; Forslund, R.P.; Bonnefont, A.; Dai, S.; Johnston, K.P.; Stevenson, K.J.
	Title	Decoupling the roles of carbon and metal oxides on the electrocatalytic reduction of oxygen on La_1-xSr_xCoO_3-\delta perovskite composite electrodes			Type	A1 Journal article
	Year	2019	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	21	Issue	6	Pages	3327-3338
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Perovskite oxides are active room-temperature bifunctional oxygen electrocatalysts in alkaline media, capable of performing the oxygen reduction reaction (ORR) and oxygen evolution reaction (OER) with lower combined overpotentials relative to their precious metal counterparts. However, their semiconducting nature necessitates the use of activated carbons as conductive supports to generate applicably relevant current densities. In efforts to advance the performance and theory of oxide electrocatalysts, the chemical and physical properties of the oxide material often take precedence over contributions from the conductive additive. In this work, we find that carbon plays an important synergistic role in improving the performance of La1-xSrxCoO3- (0 x 1) electrocatalysts through the activation of O-2 and spillover of radical oxygen intermediates, HO2- and O-2(-), which is further reduced through chemical decomposition of HO2- on the perovskite surface. Through a combination of thin-film rotating disk electrochemical characterization of the hydrogen peroxide intermediate reactions (hydrogen peroxide reduction reaction (HPRR), hydrogen peroxide oxidation reaction (HPOR)) and oxygen reduction reaction (ORR), surface chemical analysis, HR-TEM, and microkinetic modeling on La1-xSrxCoO3- (0 x 1)/carbon (with nitrogen and non-nitrogen doped carbons) composite electrocatalysts, we deconvolute the mechanistic aspects and contributions to reactivity of the oxide and carbon support.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000459584900049	Publication Date	2019-01-18
	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	5	Open Access	OpenAccess
	Notes	; Financial support for this work was provided by the R. A. Welch Foundation (grants F-1529 and F-1319). S. D. was supported as part of the Fluid Interface Reactions, Structures and Transport (FIRST) Center, an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, and Office of Basic Energy Sciences. ;			Approved	Most recent IF: 4.123
	Call Number	UA @ admin @ c:irua:158625			Serial	5244
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	Author	Li, H.; Zhang, L.; Li, L.; Wu, C.; Huo, Y.; Chen, Y.; Liu, X.; Ke, X.; Luo, J.; Van Tendeloo, G.
	Title	Two-in-one solution using insect wings to produce graphene-graphite films for efficient electrocatalysis			Type	A1 Journal article
	Year	2019	Publication	Nano Research	Abbreviated Journal	Nano Res
	Volume	12	Issue	1	Pages	33-39
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Natural organisms contain rich elements and naturally optimized smart structures, both of which have inspired various innovative concepts and designs in human society. In particular, several natural organisms have been used as element sources to synthesize low-cost and environmentally friendly electrocatalysts for the oxygen reduction reaction (ORR) in fuel cells and metal-air batteries, which are clean energy devices. However, to date, no naturally optimized smart structures have been employed in the synthesis of ORR catalysts, including graphene-based materials. Here, we demonstrate a novel strategy to synthesize graphene-graphite films (GGFs) by heating butterfly wings coated with FeCl3 in N-2, in which the full power of natural organisms is utilized. The wings work not only as an element source for GGF generation but also as a porous supporting structure for effective nitrogen doping, two-dimensional spreading, and double-face exposure of the GGFs. These GGFs exhibit a half-wave potential of 0.942 V and a H2O2 yield of < 0.07% for ORR electrocatalysis; these values are comparable to those for the best commercial Pt/C and all previously reported ORR catalysts in alkaline media. This two-in-one strategy is also successful with cicada and dragonfly wings, indicating that it is a universal, green, and cost-effective method for developing high-performance graphene-based materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000453629900004	Publication Date	2018-08-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1998-0124	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.354	Times cited	7	Open Access	Not_Open_Access
	Notes	; The authors would like to thank Drs Qiang Wang and Wenjuan Yuan for useful discussions. This work was financially supported by the National Key R&D Program of China (No. 2017YFA0700104), the National Natural Science Foundation of China (Nos. 21601136 and 11404016), the National Program for Thousand Young Talents of China, Tianjin Municipal Education Commission, Tianjin Municipal Science and Technology Commission (No. 15JCYBJC52600), and the Fundamental Research Fund of Tianjin University of Technology. This work also made use of the resources of the National Center for Electron Microscopy in Beijing. ;			Approved	Most recent IF: 7.354
	Call Number	UA @ admin @ c:irua:156210			Serial	5265
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	Author	Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G.
	Title	A systematic study of various 2D materials in the light of defect formation and oxidation			Type	A1 Journal article
	Year	2019	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	21	Issue	3	Pages	1089-1099
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The thermodynamic aspects of various 2D materials are explored using Density Functional Theory (DFT). Various metal chalcogenides (MX2, M = metal, chalcogen X = S, Se, Te) are investigated with respect to their interaction and stability under different ambient conditions met in the integration process of a transistor device. Their interaction with high- dielectrics is also addressed, in order to assess their possible integration in Complementary Metal Oxide Semiconductor (CMOS) field effect transistors. 2D materials show promise for high performance nanoelectronic devices, but the presence of defects (vacancies, grain boundaries,...) can significantly impact their electronic properties. To assess the impact of defects, their enthalpies of formation and their signature levels in the density of states have been studied. We find, consistently with literature reports, that chalcogen vacancies are the most likely source of defects. It is shown that while pristine 2D materials are in general stable whenever set in contact with different ambient atmospheres, the presence of defective sites affects the electronic properties of the 2D materials to varying degrees. We observe that all the 2D materials studied in the present work show strong reactivity towards radical oxygen plasma treatments while reactivity towards other common gas phase chemical such as O-2 and H2O and groups present at the high- surface varies significantly between species. While energy band-gaps, effective masses and contact resistivities are key criteria in selection of 2D materials for scaled CMOS and tunneling based devices, the phase and ambient stabilities might also play a very important role in the development of reliable nanoelectronic applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000456147000009	Publication Date	2018-12-19
	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	1	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.123
	Call Number	UA @ admin @ c:irua:156715			Serial	5267
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	Author	Conings, B.; Babayigit, A.; Klug, M.; Bai, S.; Gauquelin, N.; Sakai, N.; Wang, J.T.-W.; Verbeeck, J.; Boyen, H.-G.; Snaith, H.
	Title	Getting rid of anti-solvents: gas quenching for high performance perovskite solar cells			Type	P1 Proceeding
	Year	2018	Publication	2018 Ieee 7th World Conference On Photovoltaic Energy Conversion (wcpec)(a Joint Conference Of 45th Ieee Pvsc, 28th Pvsec & 34th Eu Pvsec)	Abbreviated Journal
	Volume		Issue		Pages
	Keywords	P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	As the field of perovskite optoelectronics developed, a plethora of strategies has arisen to control their electronic and morphological characteristics for the purpose of producing high efficiency devices. Unfortunately, despite this wealth of deposition approaches, the community experiences a great deal of irreproducibility between different laboratories, batches and preparation methods. Aiming to address this issue, we developed a simple deposition method based on gas quenching that yields smooth films for a wide range of perovskite compositions, in single, double, triple and quadruple cation varieties, and produces planar heterojunction devices with competitive efficiencies, so far up to 20%.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000469200401163	Publication Date	2018-12-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	978-1-5386-8529-7	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:160468			Serial	5365
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	Author	Retuerto, M.; Calle-Vallejo, F.; Pascual, L.; Lumbeeck, G.; Fernandez-Diaz, M.T.; Croft, M.; Gopalakrishnan, J.; Pena, M.A.; Hadermann, J.; Greenblatt, M.; Rojas, S.
	Title	La_1.5Sr_0.5NiMn_0.5Ru_0.5O₆ double perovskite with enhanced ORR/OER bifunctional catalytic activity			Type	A1 Journal article
	Year	2019	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	11	Issue	24	Pages	21454-21464
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Perovskites (ABO(3)) with transition metals in active B sites are considered alternative catalysts for the water oxidation to oxygen through the oxygen evolution reaction (OER) and for the oxygen reduction through the oxygen reduction reaction (ORR) back to water. We have synthesized a double perovskite (A(2)BB'O-6) with different cations in A, B, and B' sites, namely, ((La15Sr0.5)-Sr-.)(A)(Ni0.5Mn0.5)(B)(Ni0.5Ru0.5)(B)O-6 (LSNMR), which displays an outstanding OER/ORR bifunctional performance. The composition and structure of the oxide has been determined by powder X-ray diffraction, powder neutron diffraction, and transmission electron microscopy to be monoclinic with the space group P2(1)/n and with cationic ordering between the ions in the B and B' sites. X-ray absorption near-edge spectroscopy suggests that LSNMR presents a configuration of similar to Ni2+, similar to Mn4+, and similar to Ru5+. This bifunctional catalyst is endowed with high ORR and OER activities in alkaline media, with a remarkable bifunctional index value of similar to 0.83 V (the difference between the potentials measured at -1 mA cm(-2) for the ORR and +10 mA cm(-2) for the OER). The ORR onset potential (E-onset) of 0.94 V is among the best reported to date in alkaline media for ORR-active perovskites. The ORR mass activity of LSNMR is 1.1 A g(-1) at 0.9 V and 7.3 A g(-1) at 0.8 V. Furthermore, LSNMR is stable in a wide potential window down to 0.05 V. The OER potential to achieve a current density of 10 mA cm(-2) is 1.66 V. Density functional theory calculations demonstrate that the high ORR/OER activity of LSNMR is related to the presence of active Mn sites for the ORR- and Ru-active sites for the OER by virtue of the high symmetry of the respective reaction steps on those sites. In addition, the material is stable to ORR cycling and also considerably stable to OER cycling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000472683300019	Publication Date	2019-05-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.504	Times cited	12	Open Access
	Notes	; This work was supported by the ENE2016-77055-C3-3-R project from the Spanish Ministry of Economy and Competitiveness (MINECO) and PIE 201480E122 from CSIC. M.R. thanks MINECO's Juan de la Cierva program for a grant (FPDI-2013-17582). F.C.-V. thanks the Spanish MEC for a Ramon y Cajal research contract (RYC-2015-18996). M.G. acknowledges the support from NSF-DMR-1507252 grant, NJ, USA. ;			Approved	Most recent IF: 7.504
	Call Number	UA @ admin @ c:irua:161320			Serial	5400
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	Author	Hamidi-Asl, E.; Dardenne, F.; Blust, R.; De Wael, K.
	Title	An improved electrochemical aptasensor for chloramphenicol detection based on aptamer incorporated gelatine			Type	A1 Journal article
	Year	2015	Publication	Sensors	Abbreviated Journal	Sensors-Basel
	Volume	15	Issue	4	Pages	7605-7618
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Because of the biocompatible properties of gelatine and the good affinity of aptamers for their targets, the combination of aptamer and gelatine type B is reported as promising for the development of biosensing devices. Here, an aptamer for chloramphenicol (CAP) is mixed with different types of gelatine and dropped on the surface of disposable gold screen printed electrodes. The signal of the CAP reduction is investigated using differential pulse voltammetry. The diagnostic performance of the sensor is described and a detection limit of 1.83 x 10(-10) M is found. The selectivity and the stability of the aptasensor are studied and compared to those of other CAP sensors described in literature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000354236100025	Publication Date	2015-03-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1424-8220	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.677	Times cited	21	Open Access
	Notes	; Ezat Hamidi-Asl was financially supported by IOF-POC (University of Antwerp). ;			Approved	Most recent IF: 2.677; 2015 IF: 2.245
	Call Number	UA @ admin @ c:irua:126071			Serial	5464
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	Author	Pilehvar, S.; Mehta, J.; Dardenne, F.; Robbens, J.; Blust, R.; De Wael, K.
	Title	Aptasensing of chloramphenicol in the presence of its analogues : reaching the maximum residue limit			Type	A1 Journal article
	Year	2012	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	84	Issue	15	Pages	6753-6758
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	A novel label-free folding induced aptamer-based electrochemical biosensor for the detection of chloramphenicol (CAP) in the presence of its analogues has been developed. CAP is a broad-spectrum antibiotic which has lost its favor due to its serious adverse toxic effects on human health. Aptamers are artificial nucleic acid ligands (ssDNA or RNA) able to specifically recognize a target such as CAP. In this article, the aptamers are fixed onto a gold electrode surface by a self-assembly approach. In the presence of CAP, the unfolded ssDNA on the electrode surface changes to a hairpin structure bringing the target molecules close to the surface and trigger electron transfer. Detection limits were determined to be 1.6×10-9 mol L-1. In addition, thiamphenicol (TAP) and florfenicol (FF), antibiotics with a similar structure to CAP, did not influence the performance of the aptasensor, suggesting a good selectivity of the CAP-aptasensor. Simplicity and lower detection limit (because of the home-selected aptamers) make that the electrochemical aptasensor is suitable for practical use in the detection of CAP in milk samples.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000307159200069	Publication Date	2012-06-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700; 5206-882x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	68	Open Access
	Notes	; ;			Approved	Most recent IF: 6.32; 2012 IF: 5.695
	Call Number	UA @ admin @ c:irua:98816			Serial	5477
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	Author	Bottari, F.; Blust, R.; De Wael, K.
	Title	Bio(inspired) strategies for the electro-sensing of β-lactam antibiotics			Type	A1 Journal article
	Year	2018	Publication	Current opinion in electrochemistry	Abbreviated Journal
	Volume	10	Issue	10	Pages	143-148
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The dire previsions of the WHO on the so-called “post-antibiotic era” and the continuous and global rise of anti-microbial resistance, spurs our research community to find better ways to fight these threats. In light of this severe threat to human health many attempts have been made to develop efficient methods to detect antibiotic residues in different streams. The use of electrochemistry seems an inviting approach for on-site and fast monitoring. In this critical review, recent developments in the field of (bio) electro-sensing of 19-lactam antibiotics will be presented, with a focus on aptamers and molecularly imprinted polymers, the two main promises of a new generation of biosensors, yet to be fulfilled.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000442800000022	Publication Date	2018-05-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2451-9103; 2451-9111	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor		Times cited	15	Open Access
	Notes	; This work was financially supported by the University of Antwerp (BOF) and the Research Foundation – Flanders (FWO). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:153744			Serial	5488
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	Author	Pilehvar, S.; Rather, J.A.; Dardenne, F.; Robbens, J.; Blust, R.; De Wael, K.
	Title	Carbon nanotubes based electrochemical aptasensing platform for the detection of hydroxylated polychlorinated biphenyl in human blood serum			Type	A1 Journal article
	Year	2014	Publication	Biosensors and bioelectronics	Abbreviated Journal	Biosens Bioelectron
	Volume	54	Issue		Pages	78-84
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	A novel strategy to sense target molecules in human blood serum is achieved by immobilizing aptamers (APTs) on multiwalled carbon nanotubes (MWCNT) modified electrodes. In this work, the aminated aptamer selected for hydroxylated polychlorinated biphenyl (OHPCB) was covalently immobilized on the surface of the MWCNTCOOH modified glassy carbon electrode through amide linkage. The aptamers function as recognition probes for OHPCB by the binding induced folding of the aptamer. The developed aptasensing device was characterized by Electrochemical Impedance Spectroscopy (EIS), Atomic Force Microscopy (AFM) and Fourier Transform Infrared Spectroscopy (FTIR). The aptasensor displayed excellent performance for OHPCB detection with a linear range from 0.16 to 7.5 μM. The sensitivity of the developed aptasensing platform is improved (1×10−8 M) compared to the published report (1×10−6 M) for the determination of OH-PCB (Turner et al., 2007). The better performance of the sensor is due to the unique platform, i.e. the presence of APTs onto electrodes and the combination with nanomaterials. The aptamer density on the electrode surface was estimated by chronocoulometry and was found to be 1.4×1013 molecules cm−2. The validity of the method and applicability of the aptasensor was successfully evaluated by the detection of OHPCB in a blood serum sample. The described approach for aptasensing opens up new perspectives in the field of biomonitoring providing a device with acceptable stability, high sensitivity, good accuracy and precision.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000333071500012	Publication Date	2013-11-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0956-5663	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.78	Times cited	40	Open Access
	Notes	; We are thankful to UA-DOCPRO and BELSPO for financial support (respectively S. Pilehvar and J. Ahmad Rather). We also thank Prof. A. Covaci (UA) for the kind gift of human blood serum samples. Special thanks to Prof. L Van Vaeck and Y. Vercammen (UA) for AFM imaging and Prof. V. Meynen and M. Kus (LADCA, UA) for performing IR measurements. ;			Approved	Most recent IF: 7.78; 2014 IF: 6.409
	Call Number	UA @ admin @ c:irua:111262			Serial	5495
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	Author	Schalm, O.; Caluwé, D.; Wouters, H.; Janssens, K.; Verhaeghe, F.; Pieters, M.
	Title	Chemical composition and deterioration of glass excavated in the 15th-16th century fishermen town of Raversijde (Belgium)			Type	A1 Journal article
	Year	2004	Publication	Spectrochimica acta: part A: molecular and biomolecular spectroscopy	Abbreviated Journal	Spectrochim Acta A
	Volume	59	Issue		Pages	1647-1656
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The chemical composition, as determined by electron probe X-ray microanalysis of a series of ca. 100 archaeological glass fragments, excavated at the Raversijde site (Belgium) is discussed. In the 15th-16th century, Raversijde was a flourishing fishermen town located on the shore of the North Sea, close to the city of Ostend. As a consequence of several battles that were fought in its vicinity, the site was abandoned in the 16th century and was not occupied since then. It is one of the rare archaeological sites in Europe that contains a significant amount of information on the daily life inside a small but affluent medieval community. A comparison of the chemical composition of fragments of vessels and window glass encountered in Raversijde to those found in urban centres in Belgium and to literature date on German and French archaeological finds shows that glass made with wood ash dominates. Usually, it concerns artifacts with a predominantly utilitarian use. A few objects made with sodic (i.e., Na-rich) glass were also encountered, likely to have been imported from Venice during the 15th century or in later periods from an urban centre such as Antwerp, where Facon-de-Venice glass manufacturing activities were established near the start of the 16th century. (C) 2004 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000224848000021	Publication Date	2004-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1386-1425	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.536	Times cited	26	Open Access
	Notes				Approved	Most recent IF: 2.536; 2004 IF: 1.188
	Call Number	UA @ admin @ c:irua:49011			Serial	5512
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	Author	Storme, P.; Selucká, A.; Rapouch, K.; Mazík, M.; Vanmeert, F.; Janssens, K.; Van de Voorde, L.; Vekemans, B.; Vincze, L.; Caen, J.; De Wael, K.
	Title	Composition and corrosion forms on archaeological and non-archaeological historic printing letters from the Moravian Museum, Memorial of Kralice Bible, the Czech Republic and the Museum Plantin-Moretus Antwerp, Belgium			Type	P1 Proceeding
	Year	2015	Publication		Abbreviated Journal
	Volume		Issue		Pages	59-65
	Keywords	P1 Proceeding; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
	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	978-2-87522-152-0; 0770-8505	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:126909			Serial	5535
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	Author	Schalm, O.; Janssens, K.; Wouters, H.; Caluwé, D.
	Title	Composition of 12-18th century window glass in Belgium : non-figurative windows in secular buildings and stained-glass windows in religious buildings			Type	A1 Journal article
	Year	2007	Publication	Spectrochimica acta: part B : atomic spectroscopy T2 – 18th International Congress on X-Ray Optics and Microanalysis, September 25-30, 2005, National Institute of Nuclear Physics, Frascati, Italy	Abbreviated Journal	Spectrochim Acta B
	Volume	62	Issue	6-7	Pages	663-668
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	A set of ca. 500 window glass fragments originating from different historical sites in Belgium and covering the period 12(th)- 18(th) century was analyzed by rneans of electron probe microanalysis. Most samples are archaeological finds deriving from non-figurative windows in secular buildings. However. the analyzed set also contains glass sampled from still existing non-figurative windows in secular buildings and stained-glass windows in religious buildings. A sudden compositional change at the end of the 14(th) century can be noticed among the series of glass compositions that were obtained. These changes could be related to the use of different glassmaker recipes and to the introduction of new raw materials for glass making. (c) 2007 Elsevier B.V All rights reserved.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000249213700026	Publication Date	2007-03-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0584-8547; 0038-6987	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.241	Times cited	50	Open Access
	Notes				Approved	Most recent IF: 3.241; 2007 IF: 2.957
	Call Number	UA @ admin @ c:irua:102662			Serial	5538
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	Author	Hellar-Kihampa, H.; Potgieter-Vermaak, S.; De Wael, K.; Lugwisha, E.; van Espen, P.; Van Grieken, R.
	Title	Concentration profiles of metal contaminants in fluvial sediments of a rural-urban drainage basin in Tanzania			Type	A1 Journal article
	Year	2014	Publication	International journal of environmental analytical chemistry	Abbreviated Journal	Int J Environ An Ch
	Volume	94	Issue	1	Pages	77-98
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	This study investigated concentration profiles of trace, rare earth and platinum group metals in fluvial sediments from the Pangani river basin (43,650 km2), one of the largest river basins in Tanzania, to assess its environmental quality. Sediment samples were collected in two distinct seasons from 12 representative sites of diverse land-use practices and characterised by ICP-MS after optimised microwave digestion. Ecological risks were assessed by evaluation of pollution index and comparison with legislated sediment quality guidelines (SQG). The results revealed contamination by some trace metals (e.g. Pb, V, Cu, Cr, Ni, Cd, As, Co, Mn and Zn) in concentrations ranging from 0.7 to 2940 mg kg−1, and four rare earth elements (Y, Ce, Nd, Yb) in concentrations ranging from 0.9 (Yb) to 500 mg kg−1 dry weight (Ce), which significantly exceeded the estimated background values at some stations. Palladium was the only platinum group element that was detected in quantifiable concentrations (0.33.5 mg kg−1). Concentrations of some trace metals exceeded the SQGs at some localised areas. Principal component analysis and multivariate correlations indicated geochemical characteristics of the area as the major control of metal concentrations and spatial variability. Organic matter and clay contents also played a significant role in metal distributions. Assessment of land-use practices upstream of the sampling locations was used to trace potential anthropogenic sources of metal enrichments, where highest levels were found in areas close to urban centres and agricultural activities. The study provides baseline data for future monitoring programs, and highlights the need for more comprehensive analysis involving a wider spatio-temporal scale and ecotoxicological risk assessment.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000329774500007	Publication Date	2013-05-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0306-7319	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.208	Times cited	5	Open Access
	Notes	; The participants of this research gratefully acknowledge the financial support of the Belgian Development Agency (BTC). The contribution of the Pangani Basin Water Board (PBWB), especially Ms Arafa Maggidi in provision of valuable information and assistance with the sampling campaigns is greatly appreciated. We sincerely acknowledge the assistance of Mr. Elisa Dunstan Kiwelu of Ardhi University, Dar es Salaam, Tanzania in mapping the study area; Mr Peter Machibya of the Department of Geology, University of Dar es Salaam, Tanzania in sediment characterisation; and Dr Valentine Kayawe Mubiana of the Department of Biology, University of Antwerp in ICP-MS analysis. The contributions of six anonymous reviewers, which greatly improved the manuscript for this paper, are highly appreciated. ;			Approved	Most recent IF: 1.208; 2014 IF: 1.295
	Call Number	UA @ admin @ c:irua:109234			Serial	5547
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	Author	Pilehvar, S.; Gielkens, K.; Trashin, S.A.; Dardenne, F.; Blust, R.; De Wael, K.
	Title	(Electro)sensing of phenicol antibiotics : a review			Type	A1 Journal article
	Year	2016	Publication	Critical reviews in food science and nutrition	Abbreviated Journal	Crit Rev Food Sci
	Volume	56	Issue	14	Pages	2416-2429
	Keywords	A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The presence of residues from frequent antibiotic use in animal feed can cause serious health risks by contaminating products for human consumption such as meat and milk. The present article gives an overview of the electrochemical methods developed for the detection of phenicol antibiotic residues (chloramphenicol, thiamphenicol, and florfenicol) in different kinds of foodstuffs. Electrochemical sensors based on different biomolecules and nanomaterials are described. The detection limit of various developed methods with their advantages and disadvantage will be highlighted.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000382757200015	Publication Date	2015-04-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1040-8398	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.077	Times cited	13	Open Access
	Notes	; The authors are highly thankful for the University of Antwerp Grants (DOCPRO/ IWS). ;			Approved	Most recent IF: 6.077
	Call Number	UA @ admin @ c:irua:125663			Serial	5585
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