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	Author	Magnus, W.; Nelissen, K.
	Title	Quantum diffusion: A simple, exactly solvable model			Type	A1 Journal article
	Year	2015	Publication	Physica: A : theoretical and statistical physics	Abbreviated Journal	Physica A
	Volume	417	Issue	417	Pages	96-101
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We propose a simple quantum mechanical model describing the time dependent diffusion current between two fermion reservoirs that were initially disconnected and characterized by different densities or chemical potentials. The exact, analytical solution of the model yields the transient behavior of the coupled fermion systems evolving to a final steady state, whereas the long-time behavior is determined by a power law rather than by exponential decay. Similar results are obtained for the entropy production which is proportional to the diffusion current. (C) 2014 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000345721800011	Publication Date	2014-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0378-4371;	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.243	Times cited		Open Access
	Notes	; ;			Approved	Most recent IF: 2.243; 2015 IF: 1.732
	Call Number	c:irua:122170			Serial	2777
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	Author	Van Tendeloo, G.; Bals, S.; Van Aert, S.; Verbeeck, J.; van Dyck, D.
	Title	Advanced electron microscopy for advanced materials			Type	A1 Journal article
	Year	2012	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	24	Issue	42	Pages	5655-5675
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	The idea of this Review is to introduce newly developed possibilities of advanced electron microscopy to the materials science community. Over the last decade, electron microscopy has evolved into a full analytical tool, able to provide atomic scale information on the position, nature, and even the valency atoms. This information is classically obtained in two dimensions (2D), but can now also be obtained in 3D. We show examples of applications in the field of nanoparticles and interfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000310602200001	Publication Date	2012-08-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0935-9648;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.791	Times cited	107	Open Access
	Notes	This work was supported by funding from the European Research Council under the 7th Framework Program (FP7), ERC grant No 246791 – COUNTATOMS. J.V. Acknowledges funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The authors gratefully acknowledge funding from the Research Foundation Flanders (FWO, Belgium). The Qu-Ant-EM microscope was partly funded by the Hercules Fund from the Flemish Government. We thank Rafal Dunin-Borkowski for providing Figure 5d. The authors would like to thank the colleagues who have contributed to this work over the years, including K.J. Batenburg, R. Erni, B. Goris, F. Leroux, H. Lichte, A. Lubk, B. Partoens, M. D. Rossell, P. Schattschneider, B. Schoeters, D. Schryvers, H. Tan, H. Tian, S. Turner, M. van Huis. ECASJO_;			Approved	Most recent IF: 19.791; 2012 IF: 14.829
	Call Number	UA @ lucian @ c:irua:100470UA @ admin @ c:irua:100470			Serial	70
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	Author	Bittencourt, C.; Navio, C.; Nicolay, A.; Ruelle, B.; Godfroid, T.; Snyders, R.; Colomer, J.-F.; Lagos, M.J.; Ke, X.; Van Tendeloo, G.; Suarez-Martinez, I.; Ewels, C.P.
	Title	Atomic oxygen functionalization of vertically aligned carbon nanotubes			Type	A1 Journal article
	Year	2011	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	115	Issue	42	Pages	20412-20418
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Vertically aligned multiwalled carbon nanotubes (v-MWCNTs) are functionalized using atomic oxygen generated in a microwave plasma. X-ray photoelectron spectroscopy depth profile analysis shows that the plasma treatment effectively grafts oxygen exclusively at the v-MWCNT tips. Electron microscopy shows that neither the vertical alignment nor the structure of v-MWCNTs were affected by the plasma treatment. Density functional calculations suggest assignment of XPS C 1s peaks at 286.6 and 287.5 eV, to epoxy and carbonyl functional groups, respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000296205600009	Publication Date	2011-10-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	31	Open Access
	Notes	Iap			Approved	Most recent IF: 4.536; 2011 IF: 4.805
	Call Number	UA @ lucian @ c:irua:91890			Serial	174
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	Author	Huijben, M.; Koster, G.; Kruize, M.K.; Wenderich, S.; Verbeeck, J.; Bals, S.; Slooten, E.; Shi, B.; Molegraaf, H.J.A.; Kleibeuker, J.E.; Van Aert, S.; Goedkoop, J.B.; Brinkman, A.; Blank, D.H.A.; Golden, M.S.; Van Tendeloo, G.; Hilgenkamp, H.; Rijnders, G.;
	Title	Defect engineering in oxide heterostructures by enhanced oxygen surface exchange			Type	A1 Journal article
	Year	2013	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	23	Issue	42	Pages	5240-5248
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The synthesis of materials with well-controlled composition and structure improves our understanding of their intrinsic electrical transport properties. Recent developments in atomically controlled growth have been shown to be crucial in enabling the study of new physical phenomena in epitaxial oxide heterostructures. Nevertheless, these phenomena can be influenced by the presence of defects that act as extrinsic sources of both doping and impurity scattering. Control over the nature and density of such defects is therefore necessary to fully understand the intrinsic materials properties and exploit them in future device technologies. Here, it is shown that incorporation of a strontium copper oxide nano-layer strongly reduces the impurity scattering at conducting interfaces in oxide LaAlO3SrTiO3(001) heterostructures, opening the door to high carrier mobility materials. It is proposed that this remote cuprate layer facilitates enhanced suppression of oxygen defects by reducing the kinetic barrier for oxygen exchange in the hetero-interfacial film system. This design concept of controlled defect engineering can be of significant importance in applications in which enhanced oxygen surface exchange plays a crucial role.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000327480900003	Publication Date	2013-06-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	87	Open Access
	Notes	Countatoms; Vortex; Fwo; Ifox ECASJO_;			Approved	Most recent IF: 12.124; 2013 IF: 10.439
	Call Number	UA @ lucian @ c:irua:109273UA @ admin @ c:irua:109273			Serial	615
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	Author	Goffin, A.-L.; Duquesne, E.; Raquez, J.-M.; Miltner, H.E.; Ke, X.; Alexandre, M.; Van Tendeloo, G.; van Mele, B.; Dubois, P.
	Title	From polyester grafting onto POSS nanocage by ring-opening polymerization to high performance polyester/POSS nanocomposites			Type	A1 Journal article
	Year	2010	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	20	Issue	42	Pages	9415-9422
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Polyester-grafted polyhedral oligomeric silsesquioxane (POSS) nanohybrids selectively produced by ring-opening polymerization of ε-caprolactone and L,L-lactide (A.-L. Goffin, E. Duquesne, S. Moins, M. Alexandre, Ph. Dubois, Eur. Polym. Journal, 2007, 43, 4103) were studied as masterbatches by melt-blending within their corresponding commercial polymeric matrices, i.e., poly(ε-caprolactone) (PCL) and poly(L,L-lactide) (PLA). For the sake of comparison, neat POSS nanoparticles were also dispersed in PCL and PLA. The objective was to prepare aliphatic polyester-based nanocomposites with enhanced crystallization behavior, and therefore, enhanced thermo-mechanical properties. Wide-angle X-ray scattering and transmission electron microscopy attested for the dispersion of individualized POSS nanoparticles in the resulting nanocomposite materials only when the polyester-grafted POSS nanohybrid was used as a masterbatch. The large impact of such finely dispersed (grafted) nanoparticles on the crystallization behavior for the corresponding polyester matrices was noticed, as evidenced by differential scanning calorimetry analysis. Indeed, well-dispersed POSS nanoparticles acted as efficient nucleating sites, significantly increasing the crystallinity degree of both PCL and PLA matrices. As a result, a positive impact on thermo-mechanical properties was highlighted by dynamic mechanical thermal analysis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000283264500017	Publication Date	2010-06-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	42	Open Access
	Notes	Fwo; Iap-6			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:85784			Serial	1284
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	Author	Vereecke, B.; van der Veen, M.H.; Sugiura, M.; Kashiwagi, Y.; Ke, X.; Cott, D.J.; Hantschel, T.; Huyghebaert, C.; Tökei, Z.
	Title	Wafer-level electrical evaluation of vertical carbon nanotube bundles as a function of growth temperature			Type	A1 Journal article
	Year	2013	Publication	Japanese journal of applied physics	Abbreviated Journal	Jpn J Appl Phys
	Volume	52	Issue	42	Pages	04cn02-5
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We have evaluated the resistance of carbon nanotubes (CNTs) grown at a CMOS-compatible temperature using a realistic integration scheme. The structural analysis of the CNTs by transmission electron microscopy (TEM) showed that the degree of graphitization decreased significantly when the growth temperature was decreased from 540 to 400 °C. The CNTs were integrated to form 150-nm-diameter vertical interconnects between a TiN layer and Cu metal trenches on 200 mm full wafers. Wafers with CNTs grown at low temperature were found to have a lower single-contact resistance than those produced at high temperatures. Thickness measurements showed that the low contact resistance is a result of small contact height. This height dependence is masking the impact of CNT graphitization quality on resistance. When benchmarking our results with data from the literature, a relationship between resistivity and growth temperature cannot be found for CNT-based vertical interconnects.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Kyoto	Editor
	Language		Wos	000320002400150	Publication Date	2013-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-4922;1347-4065;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.384	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 1.384; 2013 IF: 1.057
	Call Number	UA @ lucian @ c:irua:108713			Serial	3902
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	Author	Özen, M.; Mertens, M.; Snijkers, F.; Van Tendeloo, G.; Cool, P.
	Title	Texturing of hydrothermally synthesized BaTiO₃ in a strong magnetic field by slip casting			Type	A1 Journal article
	Year	2016	Publication	Ceramics international	Abbreviated Journal	Ceram Int
	Volume	42	Issue	42	Pages	5382-5390
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Laboratory of adsorption and catalysis (LADCA)
	Abstract	Barium titanate powder was processed by slip casting in a rotating strong magnetic field of 9.4 T. The orientation factor of the sintered compact was analyzed by the X-ray diffraction technique and the microstructure (grain-size) was analyzed by scanning electron microscope. The hydrothermally prepared barium titanate was used as matrix material and the molten-salt synthesized barium titanate, with a larger particle-size, was used as template for the templated grain-growth process. Addition of large template particles was observed to increase the orientation factor of the sintered cast (5 vol% loading). Template particles acted as starting grains for the abnormal grain-growth process and the average grain-size was increased after sintering. Increasing the solid loading (15 vol%) resulted in a similar orientation factor with a decrease of the average grain size by more than half. However, addition of templates to the 15 vol% cast had a negative effect on the orientation factor. The impingement of growing particles was stated as the primary cause of particle misorientation resulting in a low orientation factor after sintering. Different heating conditions were tested and it was determined that a slow heating rate gave the highest orientation factor, the smallest average grain-size and the highest relative density. (C) 2015 Elsevier Ltd and Techna Group S.r.l. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Barking	Editor
	Language		Wos	000369460500098	Publication Date	2015-12-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0272-8842	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.986	Times cited	11	Open Access
	Notes				Approved	Most recent IF: 2.986
	Call Number	UA @ lucian @ c:irua:132228			Serial	4260
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	Author	Abdullah, H.M.; Van Duppen, B.; Zarenia, M.; Bahlouli, H.; Peeters, F.M.
	Title	Quantum transport across van der Waals domain walls in bilayer graphene			Type	A1 Journal article
	Year	2017	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	29	Issue	42	Pages	425303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Bilayer graphene can exhibit deformations such that the two graphene sheets are locally detached from each other resulting in a structure consisting of domains with different van der Waals inter-layer coupling. Here we investigate how the presence of these domains affects the transport properties of bilayer graphene. We derive analytical expressions for the transmission probability, and the corresponding conductance, across walls separating different inter-layer coupling domains. We find that the transmission can exhibit a valley-dependent layer asymmetry and that the domain walls have a considerable effect on the chiral tunnelling properties of the charge carriers. We show that transport measurements allow one to obtain the strength with which the two layers are coupled. We perform numerical calculations for systems with two domain walls and find that the availability of multiple transport channels in bilayer graphene significantly modifies the conductance dependence on inter-layer potential asymmetry.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000410958400001	Publication Date	2017-07-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	15	Open Access
	Notes	; HMA and HB acknowledge the Saudi Center for Theoretical Physics (SCTP) for their generous support and the support of KFUPM under physics research group projects RG1502-1 and RG1502-2. This work is supported by the Flemish Science Foundation (FWO-VI) by a post-doctoral fellowship (BVD). ;			Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:146664			Serial	4793
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	Author	Morozov, V.A.; Posokhova, S.M.; Deyneko, D., V; Savina, A.A.; Morozov, A., V; Tyablikov, O.A.; Redkin, B.S.; Spassky, D.A.; Hadermann, J.; Lazoryak, B., I
	Title	Influence of annealing conditions on the structure and luminescence properties of KGd_1-xEu_x(MoO₄)₂(0\leq x\leq1)			Type	A1 Journal article
	Year	2019	Publication	CrystEngComm	Abbreviated Journal	Crystengcomm
	Volume	21	Issue	42	Pages	6460-6471
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This study describes the influence of annealing temperature on the structure and luminescence properties of KGd1-xEux(MoO4)(2) (0 <= x <= 1). Compounds with the general formula (A ', A '')(n)[(W, Mo)O-4](m) are investigated as luminescent materials for photonic applications such as phosphor-converted LEDs (light-emitting diodes). Herein, the KGd0.8Eu0.2(MoO4)(2) light-rose crystal was grown by the Czochralski technique. Moreover, three polymorphs of KGd1-xEux(MoO4)(2) were present in the 923-1223 K range of annealing temperatures under ambient pressure: a triclinic alpha-phase, a disproportionately modulated monoclinic beta-phase and an orthorhombic gamma-phase with a KY(MoO4)(2)-type structure. The different behaviors of KGd(MoO4)(2) and KEu(MoO4)(2) were revealed by DSC studies. The number and the character of phase transitions for KGd1-xEux(MoO4)(2) depended on the elemental composition. The formation of a continuous range of solid solutions with the triclinic alpha-KEu(MoO4)(2)-type structure and ordering of K+ and Eu3+/Gd3+ cations were observed only for alpha-KGd1-xEux(MoO4)(2) (0 <= x <= 1) prepared at 923 K. The structures of gamma-KGd1-xEux(MoO4)(2) (x = 0 and 0.2) were studied using electron diffraction and refined using the powder X-ray diffraction data. The luminescence properties of KGd1-xEux(MoO4)(2) prepared at different annealing temperatures were studied and related to their different structures. The maxima of the D-5(0) -> F-7(2) integral emission intensities were found under excitation at lambda(ex) = 300 nm and lambda(ex) = 395 nm for triclinic scheelite-type alpha-KGd0.6Eu0.4(MoO4)(2) and monoclinic scheelite-type beta-KGd0.4Eu0.6(MoO4)(2) prepared at 1173 K, respectively. The latter shows the brightest red light emission among the KGd1-xEux(MoO4)(2) phosphors. The maximum and integral emission intensity of beta-KGd0.4Eu0.6(MoO4)(2) in the D-5(0) -> F-7(2) transition region is similar to 20% higher than that of the commercially used red phosphor Gd2O2S:Eu3+. Thus, beta-KGd0.4Eu0.6(MoO4)(2) is very attractive for application as a near-UV convertible red-emitting phosphor for LEDs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000493072200015	Publication Date	2019-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1466-8033	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.474	Times cited		Open Access
	Notes				Approved	Most recent IF: 3.474
	Call Number	UA @ admin @ c:irua:164603			Serial	6304
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	Author	Khalili, M.; Daniels, L.; Lin, A.; Krebs, F.C.; Snook, A.E.; Bekeschus, S.; Bownel, W.B.; Miller, V.
	Title	Non-thermal plasma-induced immunogenic cell death in cancer			Type	A1 Journal article
	Year	2019	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	52	Issue	42	Pages	423001
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Recent advances in biomedical research in cancer immunotherapy have identified the use of an oxidative stress-based approach to treat cancers, which works by inducing immunogenic cell death (ICD) in cancer cells. Since the anti-cancer effects of non-thermal plasma (NTP) are largely attributed to the reactive oxygen and nitrogen species that are delivered to and generated inside the target cancer cells, it is reasonable to postulate that NTP would be an effective modality for ICD induction. NTP treatment of tumors has been shown to destroy cancer cells rapidly and, under specific treatment regimens, this leads to systemic tumorspecific immunity. The translational benefit of NTP for treatment of cancer relies on its ability to enhance the interactions between NTP-exposed minor cells and local immune cells which initiates subsequent protective immune responses. This review discusses results from recent investigations of NTP application to induce ICD in cancer cells. With further optimization of clinical devices and treatment protocols, NTP can become an essential part of the therapeutic armament against cancer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000479103100001	Publication Date	2019-07-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	6	Open Access
	Notes				Approved	Most recent IF: 2.588
	Call Number	UA @ admin @ c:irua:161774			Serial	6313
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	Author	van ‘t Veer, K.; Engelmann, Y.; Reniers, F.; Bogaerts, A.
	Title	Plasma-Catalytic Ammonia Synthesis in a DBD Plasma: Role of Microdischarges and Their Afterglows			Type	A1 Journal article
	Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
	Volume	124	Issue	42	Pages	22871-22883
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Movement Antwerp (MOVANT)
	Abstract	Plasma-catalytic ammonia synthesis is receiving ever increasing attention, especially in packed bed dielectric barrier discharge (DBD) reactors. The latter typically operate in the ﬁlamentary regime when used for gas conversion applications. While DBDs are in principle well understood and already applied in the industry, the incorporation of packing materials and catalytic surfaces considerably adds to the complexity of the plasma physics and chemistry governing the ammonia formation. We employ a plasma kinetics model to gain insights into the ammonia formation mechanisms, paying special attention to the role of ﬁlamentary microdischarges and their afterglows. During the microdischarges, the synthesized ammonia is actually decomposed, but the radicals created upon electron impact dissociation of N2 and H2 and the subsequent catalytic reactions cause a net ammonia gain in the afterglows of the microdischarges. Under our plasma conditions, electron impact dissociation of N2 in the gas phase followed by the adsorption of N atoms is identiﬁed as a rate-limiting step, instead of dissociative adsorption of N2 on the catalyst surface. Both elementary Eley−Rideal and Langmuir−Hinshelwood reaction steps can be found important in plasma-catalytic NH3 synthesis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000585970300002	Publication Date	2020-10-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited		Open Access	OpenAccess
	Notes	Fonds Wetenschappelijk Onderzoek, 30505023 GoF9618n ; Fonds De La Recherche Scientifique – FNRS, 30505023 GoF9618n ; H2020 European Research Council, 810182 ;This research was supported by the Excellence of Science FWOFNRS project (FWO grant ID GoF9618n, EOS ID 30505023) and by the European Research Council (ERC) under the European Union’s Horizon 2020 research and innovation programme (grant agreement no 810182-SCOPE ERC Synergy project). The calculations were performed using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen (UAntwerpen), a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the UAntwerpen. The authors would also like to thank Järi Van den Hoek and Dr. Yury Gorbanev for providing the experimentally measured electrical characteristics and Dr. Fatme Jardali for creating the TOC graphics.			Approved	Most recent IF: 3.7; 2020 IF: 4.536
	Call Number	PLASMANT @ plasmant @c:irua:173587			Serial	6428
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	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
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	Author	Beltran, V.; Marchetti, A.; Nuyts, G.; Leeuwestein, M.; Sandt, C.; Borondics, F.; De Wael, K.
	Title	Nanoscale analysis of historical paintings by means of O‐PTIR spectroscopy : the identification of the organic particles in L’Arlésienne (portrait of Madame Ginoux) by Van Gogh			Type	A1 Journal article
	Year	2021	Publication	Angewandte Chemie-International Edition	Abbreviated Journal	Angew Chem Int Edit
	Volume	60	Issue	42	Pages	22753-22760
	Keywords	A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Optical-photothermal infrared (O-PTIR) spectroscopy is a recently developed technique that provides spectra comparable to traditional transmission FTIR spectroscopy with nanometric spatial resolution. Hence, O-PTIR is a promising candidate for the analysis of historical paintings, as well as other cultural heritage objects, but its potential has not yet been evaluated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000694015700001	Publication Date	2021-06-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851; 0570-0833	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 11.994
	Call Number	UA @ admin @ c:irua:179989			Serial	8291
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	Author	Li, S.; Sun, J.; Gorbanev, Y.; van’t Veer, K.; Loenders, B.; Yi, Y.; Kenis, T.; Chen, Q.; Bogaerts, A.
	Title	Plasma-Assisted Dry Reforming of CH₄: How Small Amounts of O₂Addition Can Drastically Enhance the Oxygenate Production─Experiments and Insights from Plasma Chemical Kinetics Modeling			Type	A1 Journal Article
	Year	2023	Publication	ACS Sustainable Chemistry & Engineering	Abbreviated Journal	ACS Sustainable Chem. Eng.
	Volume	11	Issue	42	Pages	15373-15384
	Keywords	A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	Plasma-based dry reforming of methane (DRM) into high-value-added oxygenates is an appealing approach to enable otherwise thermodynamically unfavorable chemical reactions at ambient pressure and near room temperature. However, it suffers from coke deposition due to the deep decomposition of CH4. In this work, we assess the DRM performance upon O2 addition, as well as varying temperature, CO2/CH4 ratio, discharge power, and gas residence time, for optimizing oxygenate production. By adding O2, the main products can be shifted from syngas (CO + H2) toward oxygenates. Chemical kinetics modeling shows that the improved oxygenate production is due to the increased concentration of oxygen-containing radicals, e.g., O, OH, and HO2, formed by electron impact dissociation [e + O2 → e + O + O/O(1D)] and subsequent reactions with H atoms. Our study reveals the crucial role of oxygen-coupling in DRM aimed at oxygenates, providing practical solutions to suppress carbon deposition and at the same time enhance the oxygenates production in plasma-assisted DRM.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001082603900001	Publication Date	2023-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2168-0485	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.4	Times cited		Open Access	Not_Open_Access
	Notes	Fonds Wetenschappelijk Onderzoek, S001619N ; China Scholarship Council, 202006060029 ; National Natural Science Foundation of China, 21975018 ; H2020 European Research Council, 810182 ;			Approved	Most recent IF: 8.4; 2023 IF: 5.951
	Call Number	PLASMANT @ plasmant @c:irua:201013			Serial	8966
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	Author	Aydin, H.; Bacaksiz, C.; Yagmurcukardes, N.; Karakaya, C.; Mermer, O.; Can, M.; Senger, R.T.; Sahin, H.; Selamet, Y.
	Title	Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes			Type	A1 Journal article
	Year	2018	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	428	Issue	428	Pages	1010-1017
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4“bis(diphenylamino)-1, 1':3”-terpheny1-5' carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-y1-1,1':3'1'-terpheny1-5' carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13,1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as n-n interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode. (C) 2017 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000415227000128	Publication Date	2017-09-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	2	Open Access
	Notes	; This work was supported by TUBITAK (The Scientific and Technical Research Council of Turkey) with project number 112T946. We also thank AQuReC (Applied Quantum Research Center) for Raman measurements. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Bilim Akademisi The Science Academy, Turkey under the BAGEP program. ;			Approved	Most recent IF: 3.387
	Call Number	UA @ lucian @ c:irua:154608UA @ admin @ c:irua:154608			Serial	5101
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	Author	Neyts, E.C.; van Duin, A.C.T.; Bogaerts, A.
	Title	Changing chirality during single-walled carbon nanotube growth : a reactive molecular dynamics/Monte Carlo study			Type	A1 Journal article
	Year	2011	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	133	Issue	43	Pages	17225-17231
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The growth mechanism and chirality formation of a single-walled carbon nanotube (SWNT) on a surface-bound nickel nanocluster are investigated by hybrid reactive molecular dynamics/force-biased Monte Carlo simulations. The validity of the interatomic potential used, the so-called ReaxFF potential, for simulating catalytic SWNT growth is demonstrated. The SWNT growth process was found to be in agreement with previous studies and observed to proceed through a number of distinct steps, viz., the dissolution of carbon in the metallic particle, the surface segregation of carbon with the formation of aggregated carbon clusters on the surface, the formation of graphitic islands that grow into SWNT caps, and finally continued growth of the SWNT. Moreover, it is clearly illustrated in the present study that during the growth process, the carbon network is continuously restructured by a metal-mediated process, thereby healing many topological defects. It is also found that a cap can nucleate and disappear again, which was not observed in previous simulations. Encapsulation of the nanoparticle is observed to be prevented by the carbon network migrating as a whole over the cluster surface. Finally, for the first time, the chirality of the growing SWNT cap is observed to change from (11,0) over (9,3) to (7,7). It is demonstrated that this change in chirality is due to the metal-mediated restructuring process.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000297380900026	Publication Date	2011-10-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	116	Open Access
	Notes				Approved	Most recent IF: 13.858; 2011 IF: 9.907
	Call Number	UA @ lucian @ c:irua:92043			Serial	309
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	Author	Müller, M.; Lebedev, O.I.; Fischer, R.A.
	Title	Gas-phase loading of [Zn₄O(btb)₂] (MOF-177) with organometallic CVD-precursors: inclusion compounds of the type [L_nM]_a@MOF-177 and the formation of Cu and Pd nanoparticles inside MOF-177			Type	A1 Journal article
	Year	2008	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	18	Issue	43	Pages	5274-5281
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The highly porous and desolvated (activated) coordination polymer [Zn4O(btb)2] (btb = benzene-1,3,5-tribenzoate; MOF-177) was loaded with the organometallic compounds [Cp2Fe], [Cp*2Zn], [Cu(OCHMeCH2NMe2)2], [CpCuL] (L = PMe3, CNtBu) and [CpPd(3-C3H5)] via solvent-free adsorption from the gas-phase. The inclusion compounds of the type [LnM]a@MOF-177, where [LnM] indicates the respective compound and the parameter a denotes the number of molecules per formula unit of the MOF-177, were characterised by elemental analysis, FT-IR, solid-state NMR spectroscopy and by powder X-ray diffraction (PXRD). Remarkably high effective loadings of up to 11 molecules [Cp2Fe] and 10 molecules [CpPd(3-C3H5)] per cavity were determined. The analytical data prove that the host lattice and the guest molecules interact only by weak van-der-Waals forces without any significant change of the framework or the chemical nature of the included molecules. Cu nanoparticles showing the typical surface plasmon resonance at 580 nm and Pd nanoparticles of about 2.6 nm in size were formed inside the cavities of MOF-177 by the thermally activated hydrogenolysis of the inclusion compounds [CpCuCNtBu]2@MOF-177 and by photolysis of [CpPd(3-C3H5)]10@MOF-177 in an inert atmosphere (Ar). PXRD, FT-IR and NMR studies revealed that the MOF-177 matrix remained unchanged during the decomposition process of the precursors. N2 adsorption studies of the obtained materials Cu@MOF-177 (e.g. 10.6 wt.% Cu, 2309 m2 g-1) and Pd@MOF-177 (e.g. 32.5 wt.%, 1063 m2 g-1) reveal high remaining specific surface areas (Langmuir model).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000260487300015	Publication Date	2008-10-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	65	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:75699			Serial	1318
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	Author	Zhang, Y.; Jiang, W.; Bogaerts, A.
	Title	Kinetic simulation of direct-current driven microdischarges in argon at atmospheric pressure			Type	A1 Journal article
	Year	2014	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	47	Issue	43	Pages	435201
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A one-dimensional, implicit particle-in-cell Monte Carlo collision model is used to simulate the plasma kinetic properties at a steady state in a parallel-plate direct current argon glow microdischarge under various operating conditions, such as driving voltage (301000 V) and gap size (101000 µm) at atmospheric pressure. First, a comparison between rf and dc modes is shown for the same pressure, driving voltage and gap spacing. Furthermore, the effect of gap size scaling (in the range of 101000 µm) on the breakdown voltage, peak electron density and peak electron current density at the breakdown voltage is examined. The breakdown voltage is lower than 150 V in all gaps considered. The microdischarge is found to have a neutral bulk plasma region and a cathode sheath region with size varying with the applied voltage and the discharge gap. In our calculations, the electron and ion densities are of the order of 10181023 m−3, which is in the glow discharge limit, as the ionization degree is lower than 1% . The electron energy distribution function shows a two-energy group distribution at a gap of 10 µm and a three-energy group distribution at larger gaps such as 200 µm and 1000 µm, emphasizing the importance of the gap spacing in dc microdischarges.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000343150500011	Publication Date	2014-10-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727;1361-6463;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 2.588; 2014 IF: 2.721
	Call Number	UA @ lucian @ c:irua:119152			Serial	1759
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	Author	Tan, H.; Tian, H.; Verbeeck, J.; Janssens, K.; Van Tendeloo, G.
	Title	Nanoscale investigation of the degradation mechanism of a historical chrome yellow paint by quantitative electron energy loss spectroscopy mapping of chromium species			Type	A1 Journal article
	Year	2013	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	52	Issue	43	Pages	11360-11363
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Getting the picture: The investigation of 100 year old chrome yellow paint by transmission electron microscopy and spectroscopy has led to the identification of four types of coreshell particles. This nanoscale investigation has allowed a mechanism to be proposed for the darkening of some bright yellow colors in Van Gogh's paintings (e.g. in Falling leaves (Les Alyscamps), 1888).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000330735800026	Publication Date	2013-09-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited	29	Open Access
	Notes	Esteem2; Vortex; Countatoms; esteem2jra3 ECASJO;			Approved	Most recent IF: 11.994; 2013 IF: 11.336
	Call Number	UA @ lucian @ c:irua:110947UA @ admin @ c:irua:110947			Serial	2266
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	Author	Mao, M.; Wang, Y.N.; Bogaerts, A.
	Title	Numerical study of the plasma chemistry in inductively coupled SF₆ and SF₆/AR plasmas used for deep silicon etching applications			Type	A1 Journal article
	Year	2011	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	44	Issue	43	Pages	435202,1-435202,15
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A hybrid model, called the hybrid plasma equipment model, was used to study inductively coupled SF6 plasmas used for Si etching applications. The plasma properties such as number densities of electrons, positive and negative ions, and neutrals are calculated under typical etching conditions. The electron kinetics is analysed by means of the electron energy probability function. The plasma chemistry taking place in pure SF6 and in an Ar/SF6 mixture is also discussed, and finally the effect of the argon fraction on the plasma properties is investigated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000296591100004	Publication Date	2011-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3727;1361-6463;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.588	Times cited	20	Open Access
	Notes				Approved	Most recent IF: 2.588; 2011 IF: 2.544
	Call Number	UA @ lucian @ c:irua:91754			Serial	2409
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	Author	Kolen'ko, Y.V.; Kovnir, K.A.; Gavrilov, A.I.; Garshev, A.V.; Meskin, P.E.; Churagulov, B.R.; Bouchard, M.; Colbeau-Justin, C.; Lebedev, O.I.; Van Tendeloo, G.; Yoshimura, M.
	Title	Structural, textural, and electronic properties of a nanosized mesoporous Zn_xTi_1-xO_2-x solid solution prepared by a supercritical drying route			Type	A1 Journal article
	Year	2005	Publication	Journal of physical chemistry B	Abbreviated Journal	J Phys Chem B
	Volume	109	Issue	43	Pages	20303-20309
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000232959800037	Publication Date	2005-10-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1520-6106;1520-5207;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.177	Times cited	34	Open Access
	Notes				Approved	Most recent IF: 3.177; 2005 IF: 4.033
	Call Number	UA @ lucian @ c:irua:54886			Serial	3264
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	Author	Chen, Y.; Croitoru, M.D.; Shanenko, A.A.; Peeters, F.M.
	Title	Superconducting nanowires: quantum confinement and spatially dependent Hartree-Fock potential			Type	A1 Journal article
	Year	2009	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	21	Issue	43	Pages	435701,1-435701,7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	It is well known that, in bulk, the solution of the Bogoliubovde Gennes equations is the same whether or not the HartreeFock term is included. Here the HartreeFock potential is position independent and so gives the same contribution to both the single-electron energies and the Fermi level (the chemical potential). Thus, the single-electron energies measured from the Fermi level (they control the solution) stay the same. This is not the case for nanostructured superconductors, where quantum confinement breaks the translational symmetry and results in a position-dependent HartreeFock potential. In this case its contribution to the single-electron energies depends on the relevant quantum numbers. We numerically solved the Bogoliubovde Gennes equations with the HartreeFock term for a clean superconducting nanocylinder and found a shift of the curve representing the thickness-dependent oscillations of the critical superconducting temperature to larger diameters.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000270642700012	Publication Date	2009-10-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984;1361-648X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	12	Open Access
	Notes				Approved	Most recent IF: 2.649; 2009 IF: 1.964
	Call Number	UA @ lucian @ c:irua:79162			Serial	3360
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	Author	Kneller, J.M.; Soto, R.J.; Surber, S.E.; Colomer, J.F.; Fonseca, A.; Nagy, J.B.; Van Tendeloo, G.; Pietrass, T.
	Title	TEM and laser-polarized ¹²⁹Xe NMR characterization of oxidatively purified carbon nanotubes			Type	A1 Journal article
	Year	2000	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	122	Issue	43	Pages	10591-10597
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Multiwall carbon nanotubes are produced by decomposition of acetylene at 600 degreesC on metal catalysts supported on NaY zeolite. The support and the metal are eliminated by dissolving them in aqueous hydrofluoric acid (HF). Two methods were used to eliminate the pyrolitic carbon: oxidation in air at 500 degreesC and oxidation by potassium permanganate in acidic solution at 70 degreesC. The progress and efficacy of the purification methods are verified by TEM. The properties of the purified multiwalled carbon nanotubes are probed using C-13 and Xe-129 NMR spectroscopy under continuous-flow optical-pumping conditions. Xenon is shown to penetrate the interior of the nanotubes. A distribution of inner tube diameters gives rise to chemical shift dispersion. When the temperature is lowered, an increasing fraction of xenon resides inside the nanotubes and is not capable of exchanging with xenon in the interparticle space. In the case of the permanganate-oxidized sample, rapid xenon relaxation is attributed to interaction with residual MnO2 nanoparticles in the interior of the tubes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000165205000011	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	53	Open Access
	Notes				Approved	Most recent IF: 13.858; 2000 IF: 6.025
	Call Number	UA @ lucian @ c:irua:95741			Serial	3473
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	Author	Mazzeo, P.P.; Canossa, S.; Carraro, C.; Pelagatti, P.; Bacchi, A.
	Title	Systematic coformer contribution to cocrystal stabilization: energy and packing trends			Type	A1 Journal article
	Year	2020	Publication	Crystengcomm	Abbreviated Journal	Crystengcomm
	Volume	22	Issue	43	Pages	7341-7349
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Polycyclic aromatic compounds such as acridine and phenazine are popular molecular partners used in cocrystal synthesis. The intermolecular interactions occurring between coformers and their molecular partners dominate the cocrystal packing energy, but coformer self-interactions might participate with a constant non-negligible contribution to the overall packing energy stabilization. Two new acridine-based cocrystals have been mechanochemically synthesized, then fully characterized<italic>via</italic>DSC and SCXRD analyses. A statistical analysis in the CSD has been performed to evaluate the recurrent π–π stacking orientation of polycyclic coformers in all deposited acridine-based cocrystals, then extended to phenazine-base analogs. Packing energy calculations were performed on a selected cocrystal subset to quantify the contribution of the π–π interaction to the overall stabilization energy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000589506600017	Publication Date	2020-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1466-8033	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.1	Times cited		Open Access	OpenAccess
	Notes	European Cooperation in Science and Technology, CA18112 ; Ministero delle Politiche Agricole Alimentari e Forestali, PAC/Packaging Attivo Cristallino ;			Approved	Most recent IF: 3.1; 2020 IF: 3.474
	Call Number	EMAT @ emat @c:irua:174262			Serial	6661
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	Author	Sirotina, A.P.; Callaert, C.; Volykhov, A.A.; Frolov, A.S.; Sanchez-Barriga, J.; Knop-Gericke, A.; Hadermann, J.; Yashina, L.V.
	Title	Mechanistic studies of gas reactions with multicomponent solids : what can we learn by combining NAP XPS and atomic resolution STEM/EDX?			Type	A1 Journal article
	Year	2019	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	123	Issue	43	Pages	26201-26210
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Rapid development of experimental techniques has enabled real time studies of solid gas reactions at the level reaching the atomic scale. In the present paper, we focus on a combination of atomic resolution STEM/EDX, which visualizes the reaction zone, and near ambient pressure (NAP) XPS, which collects information for a surface layer of variable thickness under reaction conditions. We compare the behavior of two affined topological insulators, Bi2Te3 and Sb2Te3. We used a simple reaction with molecular oxygen occurring at 298 K, which is of practical importance to avoid material degradation. Despite certain limitations, a combination of in situ XPS and ex situ cross-sectional STEM/EDX allowed us to obtain a self-consistent picture of the solid gas reaction mechanism for oxidation of Sb2Te3 and Bi2Te3 crystals, which includes component redistribution between the oxide and the subsurface layer and Te segregation with formation of a thin ordered layer at the interface. The process is multistep in case of both compounds. At the very beginning of the oxidation process the reactivity is determined by the energy benefit of the corresponding element oxygen bond formation. Further in the oxidation process, the behavior of these two compounds becomes similar and features component redistribution between the oxide and the subsurface layer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000493865700019	Publication Date	2019-10-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447; 1932-7455	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited		Open Access
	Notes				Approved	Most recent IF: 4.536
	Call Number	UA @ admin @ c:irua:164664			Serial	6310
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	Author	Sanchez-Iglesias, A.; Jenkinson, K.; Bals, S.; Liz-Marzan, L.M.
	Title	Kinetic regulation of the synthesis of pentatwinned gold nanorods below room temperature			Type	A1 Journal article
	Year	2021	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
	Volume	125	Issue	43	Pages	23937-23944
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The synthesis of gold nanorods requires the presence of symmetry-breaking and shape-directing additives, among which bromide ions and quaternary ammonium surfactants have been reported as essential. As a result, hexadecyltrimethylammonium bromide (CTAB) has been selected as the most efficient surfactant to direct anisotropic growth. One of the difficulties arising from this selection is the low solubility of CTAB in water at room temperature, and therefore the seeded growth of gold nanorods is usually performed at 25 degrees C or above, which has restricted so far the analysis of kinetic effects derived from lower temperatures. We report a systematic study of the synthesis of gold nanorods from pentatwinned seeds using hexadecyltrimethylammonium chloride (CTAC) as the principal surfactant and a low concentration of bromide as shape-directing agent. Under these conditions, the synthesis can be performed at temperatures as low as 8 degrees C, and the corresponding kinetic effects can be studied, resulting in temperature-controlled aspect ratio tunability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000716453300038	Publication Date	2021-10-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447; 1932-7455	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	6	Open Access	OpenAccess
	Notes	realnano; sygmaSB; This work was supported by the National Science Foundation (NSF) under award NSF CHE-1808502 (P.C. and I.J.). This work made use of the EPIC facility of Northwestern University's NUANCE Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern's MRSEC program (NSF DMR-1720139). D.A E. and S.B. acknowledge funding from the European Research Council under the European Union's Horizon 2020 research and innovation program (ERC Consolidator Grants No. 815128 REALNANO and Grant Agreement No. 731019 EUSMI).			Approved	Most recent IF: 4.536
	Call Number	UA @ admin @ c:irua:184104			Serial	6868
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	Author	Osca, J.; Moors, K.; Sorée, B.; Serra, L.
	Title	Fabry-Perot interferometry with gate-tunable 3D topological insulator nanowires			Type	A1 Journal article
	Year	2021	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	32	Issue	43	Pages	435002
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Three-dimensional topological insulator (3D TI) nanowires display remarkable magnetotransport properties that can be attributed to their spin-momentum-locked surface states such as quasiballistic transport and Aharonov-Bohm oscillations. Here, we focus on the transport properties of a 3D TI nanowire with a gated section that forms an electronic Fabry-Perot (FP) interferometer that can be tuned to act as a surface-state filter or energy barrier. By tuning the carrier density and length of the gated section of the wire, the interference pattern can be controlled and the nanowire can become fully transparent for certain topological surface-state input modes while completely filtering out others. We also consider the interplay of FP interference with an external magnetic field, with which Klein tunneling can be induced, and transverse asymmetry of the gated section, e.g. due to a top-gated structure, which displays an interesting analogy with Rashba nanowires. Due to its rich conductance phenomenology, we propose a 3D TI nanowire with gated section as an ideal setup for a detailed transport-based characterization of 3D TI nanowire surface states near the Dirac point, which could be useful towards realizing 3D TI nanowire-based topological superconductivity and Majorana bound states.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000682173800001	Publication Date	2021-07-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 3.44
	Call Number	UA @ admin @ c:irua:180487			Serial	6990
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	Author	Brosens, F.; Magnus, W.
	Title	Newtonian trajectories : a powerful tool for solving quantum dynamics			Type	A1 Journal article
	Year	2010	Publication	Solid state communications	Abbreviated Journal	Solid State Commun
	Volume	150	Issue	43/44	Pages	2102-2105
	Keywords	A1 Journal article; Theory of quantum systems and complex systems; Condensed Matter Theory (CMT)
	Abstract	Since Ehrenfests theorem, the role and importance of classical paths in quantum dynamics have been examined by several means. Along this line, we show that the classical equations of motion provide a solution to quantum dynamics, if appropriately incorporated into the Wigner distribution function, exactly reformulated in a type of Boltzmann equation. Also the quantum-mechanical features of the canonical ensemble can be studied in this framework of Newtonian dynamics, if the initial distribution function is appropriately constructed from the statistical operator.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000284251700006	Publication Date	2010-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0038-1098;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.554	Times cited	7	Open Access
	Notes	; The authors thank J.T. Devreese and J. Tempere for interesting and helpful discussions, and, in particular, L.F. Lemmens for several valuable suggestions. One of the authors (F.B.) acknowledges the FWO projects G.0115.06 and G.0365.08 as well as the WOG project WO.033.09N, for financial support. ;			Approved	Most recent IF: 1.554; 2010 IF: 1.981
	Call Number	UA @ lucian @ c:irua:85795			Serial	2338
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	Author	Joosten, F.; Parrilla, M.; van Nuijs, A.L.N.; Ozoemena, K.Id; De Wael, K.
	Title	Electrochemical detection of illicit drugs in oral fluid : potential for forensic drug testing			Type	A1 Journal article
	Year	2022	Publication	Electrochimica acta	Abbreviated Journal
	Volume	2022	Issue	436	Pages	141309-141315
	Keywords	A1 Journal article; Pharmacology. Therapy; Engineering sciences. Technology; Toxicological Centre; Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
	Abstract	Illicit drugs continue to pose a serious threat to society and public health. Drug (ab)use is linked to organised crime and violence. Therefore, to fight the so-called war on drugs, police and law enforcement agencies need to be equipped with accurate and efficient sensors for the detection of illicit drugs and drug use. Even though colour tests (for powders) and lateral flow immunoassays (for biological samples) lack accuracy, they are relied upon for fast and easy on-site detection. Alternatively, in recent years, there has been an increasing interest in electrochemical sensors as a promising technique for the rapid and accurate on-site detection of illicit drugs. While a myriad of literature exists on the use of electrochemical sensors for drug powder analysis, literature on their use for the detection of drug use in biological samples is scarce. To this end, this review presents an overview of strategies for the electrochemical detection of illicit drugs in oral fluid. First, pharmacokinetics of drugs in oral fluid and the legal limit dilemma regarding the analytical cut-offs for roadside drug detection tests are elaborated to present the reader with the background knowledge required to develop such a test. Subsequently, an overview of electrochemical strategies developed for the detection of illicit drugs in oral fluid is given. Importantly, key challenges to address in the development of roadside tests are highlighted to improve the design of the next electrochemical devices and to bring them to the field. Overall, electrochemical sensors for illicit drugs detection in oral fluid show promise to disrupt current strategies for roadside testing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000882442300001	Publication Date	2022-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:191107			Serial	8855
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	Author	Nematollahi, P.; Neyts, E.C.
	Title	A comparative DFT study on CO oxidation reaction over Si-doped BC2N nanosheet and nanotube			Type	A1 Journal article
	Year	2018	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	439	Issue	439	Pages	934-945
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this study, we performed density functional theory (DFT) calculations to investigate different reaction mechanisms of CO oxidation catalyzed by the Si atom embedded defective BC2N nanostructures as well as the analysis of the structural and electronic properties. The structures of all the complexes are optimized and characterized by frequency calculations at the M062X/6-31G* computational level. Also, The electronic structures and thermodynamic parameters of adsorbed CO and O-2 molecules over Si-doped BC2N nanostructures are examined in detail. Moreover, to investigate the curvature effect on the CO oxidation reaction, all the adsorption and CO oxidation reactions on a finite-sized armchair (6,6) Si-BC2NNT are also studied. Our results indicate that there can be two possible pathways for the CO oxidation with O-2 molecule: O-2(g) + CO(g) -> O-2(ads) + CO(ads) -> CO2(g) + O-(ads) and O-(ads) + CO(g) -> CO2(g). The first reaction proceeds via the Langmuir-Hinshelwood (LH) mechanism while the second goes through the Eley-Rideal (ER) mechanism. On the other hand, by increasing the tube diameter, the energy barrier increases due to the strong adsorption energy of the O-2 molecule which is related to its dissociation over the tube surface. Our calculations indicate that the two step energy barrier of the oxidation reaction over Si-BC2NNS is less than that over the Si-BC2NNT. Hence, Si-BC2NNS may serve as an efficient and highly activated substrate to CO oxidation rather than (4,4) Si-BC2NNT. (C) 2018 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000427457100112	Publication Date	2018-01-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	8	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 3.387
	Call Number	UA @ lucian @ c:irua:150745			Serial	4960
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