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	Author	Filippousi, M.; Altantzis, T.; Stefanou, G.; Betsiou, M.; Bikiaris, D.N.; Angelakeris, M.; Pavlidou, E.; Zamboulis, D.; Van Tendeloo, G.
	Title	Polyhedral iron oxide coreshell nanoparticles in a biodegradable polymeric matrix : preparation, characterization and application in magnetic particle hyperthermia and drug delivery			Type	A1 Journal article
	Year	2013	Publication	RSC advances	Abbreviated Journal	Rsc Adv
	Volume	3	Issue	46	Pages	24367-24377
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Polyhedral magnetic iron oxide nanocrystals with multiple facets have been embedded in biocompatible and biodegradable polymeric matrices in order to study their structural, magnetic features and alternating-current (AC) magnetic heating efficiency. The encapsulation of iron oxide nanoparticles into a polymer matrix was confirmed by transmission electron microscopy and further corroborated by high angle annular dark field scanning transmission electron microscopy (HAADF-STEM). HAADF-STEM tomography proved that the iron oxide nanocrystals consist of well-defined polyhedral structures with multiple facets. The magnetic features were found to be in good agreement with the structural and morphological features and are maintained even after encapsulation. Furthermore, the magnetic nanoparticles inside these matrices may be considered as good candidates for biomedical applications in hyperthermia treatments because of their high heating capacity exhibited under an alternating magnetic field. The anticancer Taxol drug was encapsulated in these nanoparticles and its physical state and release rate at 37 and 42 °C was studied.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000326745100068	Publication Date	2013-10-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2046-2069;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.108	Times cited	19	Open Access
	Notes	Countatoms; IAP			Approved	Most recent IF: 3.108; 2013 IF: 3.708
	Call Number	UA @ lucian @ c:irua:111395			Serial	2671
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	Author	Hadad, C.; Ke, X.; Carraro, M.; Sartorel, A.; Bittencourt, C.; Van Tendeloo, G.; Bonchio, M.; Quintana, M.; Prato, M.
	Title	Positive graphene by chemical design : tuning supramolecular strategies for functional surfaces			Type	A1 Journal article
	Year	2014	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	50	Issue	7	Pages	885-887
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A diazonium based-arylation reaction was efficiently used for the covalent addition of 4-amino-N,N,N-trimethylbenzene ammonium to stable dispersions of few layer graphene (FLG) yielding an innovative FLG platform with positive charges to immobilize inorganic polyanions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000328884500036	Publication Date	2013-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-7345;1364-548X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.319	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 6.319; 2014 IF: 6.834
	Call Number	UA @ lucian @ c:irua:113733			Serial	2678
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	Author	Nikolaev, A.V.; Michel, K.H.
	Title	Quantum charge density fluctuations and the γ-α phase transition in Ce			Type	A1 Journal article
	Year	1999	Publication	European physical journal : B : condensed matter and complex systems	Abbreviated Journal	Eur Phys J B
	Volume	9	Issue		Pages	619-634
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	000081615500009	Publication Date	2002-08-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1434-6028;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.461	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 1.461; 1999 IF: 1.705
	Call Number	UA @ lucian @ c:irua:28504			Serial	2774
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	Author	Shestakov, M.V.; Tikhomirov, V.K.; Kirilenko, D.; Kuznetsov, A.S.; Chibotaru, L.F.; Baranov, A.N.; Van Tendeloo, G.; Moshchalkov, V.V.
	Title	Quantum cutting in Li (770 nm) and Yb (1000 nm) co-dopant emission bands by energy transfer from the ZnO nano-crystalline host			Type	A1 Journal article
	Year	2011	Publication	Optics express	Abbreviated Journal	Opt Express
	Volume	19	Issue	17	Pages	15955-15964
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Li-Yb co-doped nano-crystalline ZnO has been synthesized by a method of thermal growth from the salt mixtures. X-ray diffraction, transmission electron microscopy, atomic absorption spectroscopy and optical spectroscopy confirm the doping and indicate that the dopants may form Li-Li and Yb3+-Li based nanoclusters. When pumped into the conduction and exciton absorption bands of ZnO between 250 to 425 nm, broad emission bands of about 100 nm half-height-width are excited around 770 and 1000 nm, due to Li and Yb dopants, respectively. These emission bands are activated by energy transfer from the ZnO host mostly by quantum cutting processes, which generate pairs of quanta in Li (770 nm) and Yb (1000 nm) emission bands, respectively, out of one quantum absorbed by the ZnO host. These quantum cutting phenomena have great potential for application in the down-conversion layers coupled to the Si solar cells.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000293894900033	Publication Date	2011-08-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1094-4087;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.307	Times cited	19	Open Access
	Notes	FWO; Methusalem			Approved	Most recent IF: 3.307; 2011 IF: 3.587
	Call Number	UA @ lucian @ c:irua:92428			Serial	2776
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	Author	Baguer, N.; Bogaerts, A.; Gijbels, R.
	Title	Role of the fast Ar atoms, Ar⁺ ions and metastable Ar atoms in a hollow cathode glow discharge: study by a hybrid model			Type	A1 Journal article
	Year	2003	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	94	Issue		Pages	2212-2222
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000184469800011	Publication Date	2003-08-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 2.068; 2003 IF: 2.171
	Call Number	UA @ lucian @ c:irua:44013			Serial	2926
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	Author	Shestakov, M.V.; Meledina, M.; Turner, S.; Tikhomirov, V.K.; Verellen, N.; Rodríguez, V.D.; Velázquez, J.J.; Van Tendeloo, G.; Moshchalkov, V.V.
	Title	The size and structure of Ag particles responsible for surface plasmon effects and luminescence in Ag homogeneously doped bulk glass			Type	A1 Journal article
	Year	2013	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	114	Issue	7	Pages	073102-73105
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	As-prepared and heat-treated oxyfluoride glasses, co-doped with Ag nanoclusters/nanoparticles, are prepared at 0.15 at. % Ag concentration. The as-prepared glass shows an absorption band in the UV/violet attributed to the presence of amorphous Ag nanoclusters with an average size of 1.1 nm. The luminescence spectra of the untreated glass can also be ascribed to these Ag nanoclusters. Upon heat-treatment, the clusters coalesce into Ag nanoparticles with an average size of 2.3 nm, and the glasses show an extra surface plasmon absorption band in the visible. These particles, however, cease to emit due to ascribing plasmonic properties of bulk silver.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000323510900003	Publication Date	2013-08-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	19	Open Access
	Notes	Fwo			Approved	Most recent IF: 2.068; 2013 IF: 2.185
	Call Number	UA @ lucian @ c:irua:109455			Serial	3031
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	Author	Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R.
	Title	The structure and energetics of B₃N₂, B₂N₃, and BN₄: symmetry breaking effects in B₃N₂			Type	A1 Journal article
	Year	1995	Publication	Molecular physics	Abbreviated Journal	Mol Phys
	Volume	85	Issue		Pages	527-537
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1995RM01600007	Publication Date	2006-04-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-8976;1362-3028;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.72	Times cited	19	Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:12279			Serial	3276
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	Author	Martin, J.M.L.; Slanina, Z.; François, J.P.; Gijbels, R.
	Title	The structure, energetics, and harmonic vibrations of B₃N and BN₃			Type	A1 Journal article
	Year	1994	Publication	Molecular physics	Abbreviated Journal	Mol Phys
	Volume	82	Issue		Pages	155-164
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1994NN66200010	Publication Date	2006-04-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-8976;1362-3028;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.72	Times cited	19	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:10254			Serial	3303
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	Author	Berdiyorov, G.R.; Milošević, M.V.; Peeters, F.M.
	Title	Superconducting films with weak pinning centers: incommenssurate vortex lattices			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	76	Issue	13	Pages	134508,1-134508,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000250619800087	Publication Date	2007-10-15
	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	19	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:67348			Serial	3353
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	Author	Groat, L.A.; Kek, S.; Bismayer, U.; Schmidt, C.; Krane, H.G.; Meyer, H.; Nistor, L.; Van Tendeloo, G.
	Title	A synchrotron radiation, HRTEM, X-ray powder diffraction, and Raman spectroscopic study of malayaite, CaSnSiO₅			Type	A1 Journal article
	Year	1996	Publication	The American mineralogist	Abbreviated Journal	Am Mineral
	Volume	81	Issue	5/6	Pages	595-602
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Synchrotron radiation, high-resolution transmission electron microscopy (HRTEM), X-ray powder diffraction, and Raman spectroscopy were used to study the structure and thermal behavior of malayaite, CaSnSiO5. No indications of deviation from A2/a symmetry and no structural transitions were observed between 100 and 870 K. HRTEM revealed that the material is free of domains and antiphase boundaries. However, the lattice constants, cell volume, and Raman-active phonons show a thermal discontinuity near 500 K, which is possibly related to variation of the coordination sphere around the highly anisotropic Ca position.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	A1996UP41100006	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-004x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.964	Times cited	19	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:16862			Serial	3407
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	Author	Gillie, L.J.; Hadermann, J.; Pérez, O.; Martin, C.; Hervieu, M.; Suard, E.
	Title	SrMn₃O₆: an incommensurate modulated tunnel structure			Type	A1 Journal article
	Year	2004	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	177	Issue		Pages	3383-3391
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000224465500020	Publication Date	2004-07-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.299	Times cited	19	Open Access
	Notes	Scootmo: Hrpn-Ct-2002-00293; Super-Gmr: Hprn-Ct-2002-0021			Approved	Most recent IF: 2.299; 2004 IF: 1.815
	Call Number	UA @ lucian @ c:irua:49463			Serial	3562
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	Author	Wang, B.; Idrissi, H.; Shi, H.; Colla, M.S.; Michotte, S.; Raskin, J.P.; Pardoen, T.; Schryvers, D.
	Title	Texture-dependent twin formation in nanocrystalline thin Pd films			Type	A1 Journal article
	Year	2012	Publication	Scripta materialia	Abbreviated Journal	Scripta Mater
	Volume	66	Issue	11	Pages	866-871
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Nanocrystalline Pd films were produced by electron-beam evaporation and sputter deposition. The electron-beam-evaporated films reveal randomly oriented nanograins with a relatively high density of growth twins, unexpected in view of the high stacking fault energy of Pd. In contrast, sputter-deposited films show a clear 〈1 1 1〉 crystallographic textured nanostructure without twins. These results provide insightful information to guide the generation of microstructures with enhanced strength/ductility balance in high stacking fault energy nanocrystalline metallic thin films.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000303621900007	Publication Date	2012-01-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-6462;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.747	Times cited	19	Open Access
	Notes	Iap; Fwo			Approved	Most recent IF: 3.747; 2012 IF: 2.821
	Call Number	UA @ lucian @ c:irua:96955			Serial	3566
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	Author	Spyrou, K.; Potsi, G.; Diamanti, E.K.; Ke, X.; Serestatidou, E.; Verginadis, I.I.; Velalopoulou, A.P.; Evangelou, A.M.; Deligiannakis, Y.; Van Tendeloo, G.; Gournis, D.; Rudolf, P.;
	Title	Towards Novel Multifunctional Pillared Nanostructures: Effective Intercalation of Adamantylamine in Graphene Oxide and Smectite Clays			Type	A1 Journal article
	Year	2014	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	24	Issue	37	Pages	5841-5850
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Multifunctional pillared materials are synthesized by the intercalation of cage-shaped adamantylamine (ADMA) molecules into the interlayer space of graphite oxide (GO) and aluminosilicate clays. The physicochemical and structural properties of these hybrids, determined by X-ray diffraction (XRD), Fourier transform infrared (FTIR), Raman and X-ray photoemission (XPS) spectroscopies and transmission electron microscopy (TEM) show that they can serve as tunable hydrophobic/hydrophilic and stereospecific nanotemplates. Thus, in ADMA-pillared clay hybrids, the phyllomorphous clay provides a hydrophilic nanoenvironment where the local hydrophobicity is modulated by the presence of ADMA moieties. On the other hand, in the ADMA-GO hybrid, both the aromatic rings of GO sheets and the ADMA molecules define a hydrophobic nanoenvironment where sp(3)-oxo moieties (epoxy, hydroxyl and carboxyl groups), present on GO, modulate hydrophilicity. As test applications, these pillared nanostructures are capable of selective/stereospecific trapping of small chlorophenols or can act as cytotoxic agents.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000342794500008	Publication Date	2014-07-19
	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	19	Open Access
	Notes				Approved	Most recent IF: 12.124; 2014 IF: 11.805
	Call Number	UA @ lucian @ c:irua:121085			Serial	3686
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	Author	Chen, Y.; Doria, M.M.; Peeters, F.M.
	Title	Vortices in a mesoscopic cone: a superconducting tip in the presence of an applied field			Type	A1 Journal article
	Year	2008	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	77	Issue		Pages	054511,1-13
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000253764000095	Publication Date	2008-02-26
	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	19	Open Access
	Notes				Approved	Most recent IF: 3.836; 2008 IF: 3.322
	Call Number	UA @ lucian @ c:irua:69628			Serial	3900
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	Author	de Sousa, G.O.; da Costa, D.R.; Chaves, A.; Farias, G.A.; Peeters, F.M.
	Title	Unusual quantum confined Stark effect and Aharonov-Bohm oscillations in semiconductor quantum rings with anisotropic effective masses			Type	A1 Journal article
	Year	2017	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	95	Issue	95	Pages	205414
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The effects of external electric and magnetic fields on the energy spectrum of quantum rings made out of a bidimensional semiconductor material with anisotropic band structures are investigated within the effective-mass model. The interplay between the effective-mass anisotropy and the radial confinement leads to wave functions that are strongly localized at two diametrically opposite regions where the kinetic energy is lowest due to the highest effective mass. We show that this quantum phenomenon has clear consequences on the behavior of the energy states in the presence of applied in-plane electric fields and out-of-plane magnetic fields. In the former, the quantum confined Stark effect is observed with either linear or quadratic shifts, depending on the direction of the applied field. As for the latter, the usual Aharonov-Bohm oscillations are not observed for a circularly symmetric confining potential, however they can be reinstated if an elliptic ring with an appropriate aspect ratio is chosen.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000401230600007	Publication Date	2017-05-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	19	Open Access
	Notes	; This work was financially supported by CNPq under the PRONEX/FUNCAP grants, CAPES Foundation, the Flemish Science Foundation (FWO-Vl), and the Brazilian Program Science Without Borders (CsF). ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:143746			Serial	4610
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	Author	van den Broek, B.; Houssa, M.; Iordanidou, K.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	Functional silicene and stanene nanoribbons compared to graphene: electronic structure and transport			Type	A1 Journal article
	Year	2016	Publication	2D materials	Abbreviated Journal	2D Mater
	Volume	3	Issue	1	Pages	015001
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Since the advent of graphene, other 2D materials have garnered interest; notably the single element materials silicene, germanene, and stanene. Weinvestigate the ballistic current-voltage (I-V) characteristics of armchair silicene and stanene armchair nanoribbons (AXNRs with X = Si, Sn) using a combination of density functional theory and non-equilibrium Green's functions. The impact of out-of-plane electric field and in-plane uniaxial strain on the ribbon geometries, electronic structure, and (I-V)s are considered and contrasted with graphene. Since silicene and stanene are sp(2)/sp(3) buckled layers, the electronic structure can be tuned by an electric field that breaks the sublattice symmetry, an effect absent in graphene. This decreases the current by similar to 50% for Sn, since it has the largest buckling. Uniaxial straining of the ballistic channel affects the AXNR electronic structure in multiple ways: it changes the bandgap and associated effective carrier mass, and creates a local buckling distortion at the lead-channel interface which induces a interface dipole. Due to the increasing sp(3) hybridization character with increasing element mass, large reconstructions rectify the strained systems, an effect absent in sp(2) bonded graphene. This results in a smaller strain effect on the current: a decrease of 20% for Sn at 15% tensile strain compared to a similar to 75% decrease for C.
	Address
	Corporate Author				Thesis
	Publisher	IOP Publishing	Place of Publication	Bristol	Editor
	Language		Wos	000373936300021	Publication Date	2016-01-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.937	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 6.937
	Call Number	UA @ lucian @ c:irua:144746			Serial	4658
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	Author	Ben Dkhil, S.; Pfannmöller, M.; Ata, I.; Duche, D.; Gaceur, M.; Koganezawa, T.; Yoshimoto, N.; Simon, J.-J.; Escoubas, L.; Videlot-Ackermann, C.; Margeat, O.; Bals, S.; Bauerle, P.; Ackermann, J.
	Title	Time evolution studies of dithieno[3,2-b:2 ',3 '-d] pyrrole-based A-D-A oligothiophene bulk heterojunctions during solvent vapor annealing towards optimization of photocurrent generation			Type	A1 Journal article
	Year	2017	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume	5	Issue	5	Pages	1005-1013
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Solvent vapor annealing (SVA) is one of the main techniques to improve the morphology of bulk heterojunction solar cells using oligomeric donors. In this report, we study time evolution of nanoscale morphological changes in bulk heterojunctions based on a well-studied dithienopyrrole-based A-D-A oligothiophene (dithieno[3,2-b: 2',3'-d] pyrrole named here 1) blended with [6,6]-phenyl-C-71-butyric acid methyl ester (PC71BM) to increase photocurrent density by combining scanning transmission electron microscopy and low-energy-loss spectroscopy. Our results show that SVA transforms the morphology of 1 : PC71BM blends by a three-stage mechanism: highly intermixed phases evolve into nanostructured bilayers that correspond to an optimal blend morphology. Additional SVA leads to completely phaseseparated micrometer-sized domains. Optical spacers were used to increase light absorption inside optimized 1 : PC71BM blends leading to solar cells of 7.74% efficiency but a moderate photocurrent density of 12.3 mA cm (-2). Quantum efficiency analyses reveal that photocurrent density is mainly limited by losses inside the donor phase. Indeed, optimized 1 : PC71BM blends consist of large donor-enriched domains not optimal for exciton to photocurrent conversion. Shorter SVA times lead to smaller domains; however they are embedded in large mixed phases suggesting that introduction of stronger molecular packing may help us to better balance phase separation and domain size enabling more efficient bulk heterojunction solar cells.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000394430800018	Publication Date	2016-11-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.867	Times cited	19	Open Access	Not_Open_Access
	Notes	; We acknowledge financial support by the French Fond Unique Interministeriel (FUI) under the project “SFUMATO” (Grant number: F1110019V/201308815) as well as by the European Commission under the Project “SUNFLOWER” (FP7-ICT-2011-7, Grant number: 287594). The synchrotron radiation experiments were performed at BL19B2 in SPring-8 with the approval of Japan Synchrotron Radiation Research Institute (JASRI) (Proposal No. 2016A1568). We further acknowledge financial support via ERC Starting Grant Colouratoms (335078). ;			Approved	Most recent IF: 8.867
	Call Number	UA @ lucian @ c:irua:142602UA @ admin @ c:irua:142602			Serial	4695
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	Author	Wang, W.; Kong, L.; Geng, J.; Wei, F.; Xia, G.
	Title	Wall ablation of heated compound-materials into non-equilibrium discharge plasmas			Type	A1 Journal article
	Year	2017	Publication	Journal of physics: D: applied physics	Abbreviated Journal	J Phys D Appl Phys
	Volume	50	Issue	7	Pages	074005
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The discharge properties of the plasma bulk flow near the surface of heated compound-materials strongly affects the kinetic layer parameters modeled and manifested in the Knudsen layer. This paper extends the widely used two-layer kinetic ablation model to the ablation controlled non-equilibrium discharge due to the fact that the local thermodynamic equilibrium (LTE) approximation is often violated as a result of the interaction between the plasma and solid walls. Modifications to the governing set of equations, to account for this effect, are derived and presented by assuming that the temperature of the electrons deviates from that of the heavy particles. The ablation characteristics of one typical material, polytetrafluoroethylene (PTFE) are calculated with this improved model. The internal degrees of freedom as well as the average particle mass and specific heat ratio of the polyatomic vapor, which strongly depends on the temperature, pressure and plasma non-equilibrium degree and plays a crucial role in the accurate determination of the ablation behavior by this model, are also taken into account. Our assessment showed the significance of including such modifications related to the non-equilibrium effect in the study of vaporization of heated compound materials in ablation controlled arcs. Additionally, a two-temperature magneto-hydrodynamic (MHD) model accounting for the thermal non-equilibrium occurring near the wall surface is developed and applied into an ablation-dominated discharge for an electro-thermal chemical launch device. Special attention is paid to the interaction between the non-equilibrium plasma and the solid propellant surface. Both the mass exchange process caused by the wall ablation and plasma species deposition as well as the associated momentum and energy exchange processes are taken into account. A detailed comparison of the results of the non-equilibrium model with those of an equilibrium model is presented. The non-equilibrium results show a non-equilibrium region near the plasma-wall interaction region and this indicates the need for the consideration of the influence of the possible departure from LTE in the plasma bulk on the determination of ablation rate.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000394097200001	Publication Date	2017-01-24
	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	19	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 2.588
	Call Number	UA @ lucian @ c:irua:141965			Serial	4702
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	Author	Woo, S.Y.; Gauquelin, N.; Nguyen, H.P.T.; Mi, Z.; Botton, G.A.
	Title	Interplay of strain and indium incorporation in InGaN/GaN dot-in-a-wire nanostructures by scanning transmission electron microscopy			Type	A1 Journal article
	Year	2015	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	26	Issue	26	Pages	344002
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The interplay between strain and composition is at the basis of heterostructure design to engineer new properties. The influence of the strain distribution on the incorporation of indium during the formation of multiple InGaN/GaN quantum dots (QDs) in nanowire (NW) heterostructures has been investigated, using the combined techniques of geometric phase analysis of atomic-resolution images and quantitative elemental mapping from core-loss electron energy-loss spectroscopy within scanning transmission electron microscopy. The variation in In-content between successive QDs within individual NWs shows a dependence on the magnitude of compressive strain along the growth direction within the underlying GaN barrier layer, which affects the incorporation of In-atoms to minimize the local effective strain energy. Observations suggest that the interfacial misfit between InGaN/GaN within the embedded QDs is mitigated by strain partitioning into both materials, and results in normal stresses inflicted by the presence of the surrounding GaN shell. These experimental measurements are linked to the local piezoelectric polarization fields for individual QDs, and are discussed in terms of the photoluminescence from an ensemble of NWs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000359079500003	Publication Date	2015-08-03
	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	19	Open Access
	Notes				Approved	Most recent IF: 3.44; 2015 IF: 3.821
	Call Number	UA @ lucian @ c:irua:136278			Serial	4504
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	Author	Chen, Q.; Wang, W.; Peeters, F.M.
	Title	Magneto-polarons in monolayer transition-metal dichalcogenides			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	123	Issue	21	Pages	214303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Landau levels (LLs) are modified by the Frohlich interaction which we investigate within the improved Wigner-Brillouin theory for energies both below and above the longitudinal-optical-continuum in monolayer MoS2.., WS2, MoSe2, and WSe2. Polaron corrections to the LLs are enhanced in monolayer MoS2 as compared to WS2. A series of levels are found at h omega(LO) + lh omega(c), and in addition, the Frohlich interaction lifts the degeneracy between the levels nh omega(c) and h omega(LO) + lh omega(c) resulting in an anticrossing. The screening effect due to the environment plays an important role in the polaron energy corrections, which are also affected by the effective thickness r(eff) parameter. The polaron anticrossing energy gap E-gap decreases with increasing effective thickness r(eff). Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000434775500014	Publication Date	2018-06-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	19	Open Access
	Notes	; Q. Chen and W. Wang acknowledge the financial support from the China Scholarship Council (CSC). This work was also supported by Hunan Provincial Natural Science Foundation of China (Grant No. 2015JJ2040), by the Scientific Research Fund of Hunan Provincial Education Department (Grant No. 15A042), and by the National Natural Science Foundation of China (Grant No. 11404214). ;			Approved	Most recent IF: 2.068
	Call Number	UA @ lucian @ c:irua:151985UA @ admin @ c:irua:151985			Serial	5031
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	Author	Nakhaee, M.; Ketabi, S.A.; Peeters, F.M.
	Title	Dirac nodal line in bilayer borophene : tight-binding model and low-energy effective Hamiltonian			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	98	Issue	11	Pages	115413
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Bilayer hexagonal borophene, which is bound together through pillars, is a novel topological semimetal. Using density functional theory, we investigate its electronic band structure and show that it is a Dirac material which exhibits a nodal line. A tight-binding model was constructed based on the Slater-Koster approach, which accurately models the electronic spectrum. We constructed an effective four-band model Hamiltonian to describe the spectrum near the nodal line. This Hamiltonian can be used as a new platform to study the new properties of nodal line semimetals. We found that the nodal line is created by edge states and is very robust against perturbations and impurities. Breaking symmetries can split the nodal line, but cannot open a gap.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000443916200007	Publication Date	2018-09-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	19	Open Access
	Notes	; This work was supported by the Methusalem program of the Flemish government and the graphene FLAG-ERA project TRANS-2D-TMD. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:153649UA @ admin @ c:irua:153649			Serial	5090
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	Author	Menezes, R.M.; Mulkers, J.; de Souza Silva, C.C.; Milošević, M.V.
	Title	Deflection of ferromagnetic and antiferromagnetic skyrmions at heterochiral interfaces			Type	A1 Journal article
	Year	2019	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	99	Issue	10	Pages	104409
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Devising magnetic nanostructures with spatially heterogeneous Dzyaloshinskii-Moriya interaction (DMI) is a promising pathway toward advanced confinement and control of magnetic skyrmions in potential devices. Here we discuss theoretically how a skyrmion interacts with a heterochiral interface using micromagnetic simulations and analytic arguments. We show that a heterochiral interface deflects the trajectory of ferromagnetic (FM) skyrmions, and that the extent of such deflection is tuned by the applied spin-polarized current and the difference in DMI across the interface. Further, we show that this deflection is characteristic of the FM skyrmion, and it is completely absent in the antiferromagnetic (AFM) case. In turn, we reveal that the AFM skyrmion achieves much higher velocities than its FM counterpart, yet experiences far stronger confinement in nanoengineered heterochiral tracks, which reinforces AFM skyrmions as a favorable choice for skyrmion-based devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000460720600005	Publication Date	2019-03-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	19	Open Access
	Notes	; This work was supported by the Research Foundation-Flanders (FWO-Vlaanderen) and Brazilian Agencies FACEPE under Grant No. APQ-0198-1.05/14, CAPES and CNPq. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ admin @ c:irua:158557			Serial	5203
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	Author	Li, L.L.; Partoens, B.; Xu, W.; Peeters, F.M.
	Title	Electric-field modulation of linear dichroism and Faraday rotation in few-layer phosphorene			Type	A1 Journal article
	Year	2019	Publication	2D materials	Abbreviated Journal	2D Mater
	Volume	6	Issue	1	Pages	015032
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Electro-optical modulators, which use an electric voltage (or an electric field) to modulate a beam of light, are essential elements in present-day telecommunication devices. Using a self-consistent tight-binding approach combined with the standard Kubo formula, we show that the optical conductivity and the linear dichroism of few-layer phosphorene can be modulated by a perpendicular electric field. We find that the field-induced charge screening plays a significant role in modulating the optical conductivity and the linear dichroism. Distinct absorption peaks are induced in the conductivity spectrum due to the strong quantum confinement along the out-of-plane direction and to the field-induced forbidden-to-allowed transitions. The field modulation of the linear dichroism becomes more pronounced with increasing number of phosphorene layers. We also show that the Faraday rotation is present in few-layer phosphorene even in the absence of an external magnetic field. This optical Hall effect is induced by the reduced lattice symmetry of few-layer phosphorene. The Faraday rotation is greatly influenced by the field-induced charge screening and is strongly dependent on the strength of perpendicular electric field and on the number of phosphorene layers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000454321100002	Publication Date	2018-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1583	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.937	Times cited	19	Open Access
	Notes	; This work was financially supported by the Flemish Science Foundation (FWO-Vl) and by the FLAG-ERA project TRANS-2D-TMD. ;			Approved	Most recent IF: 6.937
	Call Number	UA @ admin @ c:irua:156776			Serial	5207
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	Author	Das, S.; Rata, A.D.; Maznichenko, I., V; Agrestini, I.S.; Pippel, E.; Gauquelin, N.; Verbeeck, J.; Chen, K.; Valvidares, S.M.; Vasili, H.B.; Herrero-Martin, J.; Pellegrin, E.; Nenkov, K.; Herklotz, A.; Ernst, A.; Mertig, I.; Hu, Z.; Doerr, K.
	Title	Low-field switching of noncollinear spin texture at La_0.7Sr_0.3MnO₃-SrRuO₃interfaces			Type	A1 Journal article
	Year	2019	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	99	Issue	2	Pages	024416
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Interfaces of ferroic oxides can show complex magnetic textures which have strong impact on spintronics devices. This has been demonstrated recently for interfaces with insulating antiferromagnets such as BiFeO3. Here, noncollinear spin textures which can be switched in very low magnetic field are reported for conducting ferromagnetic bilayers of La0.7Sr0.3MnO3-SrRuO3 (LSMO-SRO). The magnetic order and switching are fundamentally different for bilayers coherently grown in reversed stacking sequence. The SRO top layer forms a persistent exchange spring which is antiferromagnetically coupled to LSMO and drives switching in low fields of a few milliteslas. Density functional theory reveals the crucial impact of the interface termination on the strength of Mn-Ru exchange coupling across the interface. The observation of an exchange spring agrees with ultrastrong coupling for the MnO2/SrO termination. Our results demonstrate low-field switching of noncollinear spin textures at an interface between conducting oxides, opening a pathway for manipulating and utilizing electron transport phenomena in controlled spin textures at oxide interfaces.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000455821400005	Publication Date	2019-01-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	19	Open Access	OpenAccess
	Notes	; The research in Halle was supported by Deutsche Forschungsgemeinschaft (DFG), SFB 762 Functional Oxide Interfaces (Projects No. A9 and No. B1). K.C. benefited from support of the DFG (Project 600575). Discussions with M. Trassin, M. Ziese, H. M. Christen, E.-J. Guo, F. Grcondciel, M. Bibes, and H. N. Lee are gratefully acknowledged. N. G. and J. V. acknowledge funding under the GOA project “Solarpaint” of the University of Antwerp. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ admin @ c:irua:156717			Serial	5255
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	Author	Anaf, W.; Janssens, K.; De Wael, K.
	Title	Formation of metallic mercury during photodegradation/photodarkening of \alpha-HgS : electrochemical evidence			Type	A1 Journal article
	Year	2013	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	52	Issue	48	Pages	12568-12571
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Das rote Pigment α-HgS neigt in Gegenwart von Licht und Chloridionen zur Schwärzung. Als Grund für die Zersetzung und Entfärbung werden die Bildung von (schwarzem) β-HgS oder Quecksilbermetall vermutet, doch diese Substanzen wurden noch nicht auf natürlich oder künstlich zersetzter HgS-Farbe nachgewiesen. Elektrochemische Experimente belegen nun die Bildung von Quecksilbermetall in Gegenwart von Licht und Chloridionen.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000327582900015	Publication Date	2013-10-04
	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	19	Open Access
	Notes	; The authors acknowledge L. Klaassen for valuable discussions and providing samples. We acknowledge financial support from the SDD programme (S2-ART project) of the Belgian Federal Goverment. ;			Approved	Most recent IF: 11.994; 2013 IF: 11.336
	Call Number	UA @ admin @ c:irua:111265			Serial	5626
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	Author	Kontozova-Deutsch, V.; Deutsch, F.; Bencs, L.; Krata, A.; Van Grieken, R.; De Wael, K.
	Title	Optimization of the ion chromatographic quantification of airborne fluoride, acetate and formate in the Metropolitan Museum of Art, New York			Type	A1 Journal article
	Year	2011	Publication	Talanta : the international journal of pure and applied analytical chemistry	Abbreviated Journal	Talanta
	Volume	86	Issue		Pages	372-376
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Ion chromatographic (IC) methods have been compared in order to achieve an optimal separation of fluoride, acetate and formate under various elution conditions on two formerly introduced analytical columns (i and ii) and a novel one (iii): (i) an IonPac AS14 (250 mm × 4 mm I.D.), (ii) Allsep A-2 (150 mm × 4.6 mm I.D.), and (iii) an IC SI-50 4E (250 mm (length) × 4 mm (internal diameter – I.D.)). The IC conditions for the separation of the anions concerned were optimized on the IC SI-50 4E column. A near baseline separation of these anions was attained on the IonPac AS14, whereas the peaks of fluoride and acetate could not be resolved on the Allsep A-2. A baseline separation for the three anions was achieved on the IC SI-50 4E column, when applying an eluent mixture of 3.2 mmol/L Na2CO3 and 1.0 mmol/L NaHCO3 with a flow rate of 1.0 mL/min. The highest precision of 1.7, 3.0 and 2.8% and the best limits of detection (LODs) of 0.014, 0.22 and 0.17 mg/L for fluoride, acetate and formate, respectively, were obtained with the IC SI-50 4E column. Hence, this column was applied for the determination of the acetic and formic acid contents of air samples taken by means of passive gaseous sampling at the Metropolitan Museum of Art in New York, USA. Atmospheric concentrations of acetic and formic acid up to 1050 and 450 μg/m3, respectively, were found in non-aerated showcases of the museum. In galleries and outdoors, rather low levels of acetic and formic acid were detected with average concentrations of 50 and 10 μg/m3, respectively. The LOD data of acetate and formate on the IC SI-50 4E column correspond to around 0.5 μg/m3 for both acetic and formic acid in air samples.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000298126300048	Publication Date	2011-09-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0039-9140; 1873-3573	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.162	Times cited	19	Open Access
	Notes	; The authors gratefully acknowledge the support of Marco Leona and the staff of the Metropolitan Museum of Art in New York during the sampling campaigns. The technical assistance and advice by Dr. Takashi Kotsuka and Shodex Benelux are acknowledged as well. ;			Approved	Most recent IF: 4.162; 2011 IF: 3.794
	Call Number	UA @ admin @ c:irua:92066			Serial	5762
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	Author	Buczyńska, A.J.; Geypens, B.; Van Grieken, R.; De Wael, K.
	Title	Stable carbon isotopic ratio measurement of polycyclic aromatic hydrocarbons as a tool for source identification and apportionment : a review of analytical methodologies			Type	A1 Journal article
	Year	2013	Publication	Talanta : the international journal of pure and applied analytical chemistry	Abbreviated Journal	Talanta
	Volume	105	Issue		Pages	435-450
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	The measurement of the ratio of stable isotopes of carbon (13C/12C expressed as a δ13C) in the individual components of a sample may be used as a means to identify the origin of these components. This article reviews the approaches and reports on the successes and failures of source identification and apportionment of Polycyclic Aromatic Hydrocarbons (PAHs) with the use of compound-specific isotope analysis (CSIA). One of the conditions for a precise and accurate analysis of isotope ratios with the use of GC-C-IRMS is the need for well separated peaks, with no co-elutions, and reduced unresolved complex mixture (UCM). Additionally, special care needs to be taken for an investigation of possible isotope fractionation effects introduced during the analytical treatment of samples. With the above-mentioned problems in mind, this review discusses in detail and compares current laboratory methodologies, mainly in the extraction and subsequent clean-up techniques used for environmental samples (air particulate matter, soil and sediments). Sampling strategies, the use of isotopic internal standards and the ranges for precision and accuracy are also reported and discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000319088500064	Publication Date	2012-10-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0039-9140; 1873-3573	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.162	Times cited	19	Open Access
	Notes	; ;			Approved	Most recent IF: 4.162; 2013 IF: 3.511
	Call Number	UA @ admin @ c:irua:102091			Serial	5845
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	Author	Compernolle, T.; Witters, N.; Van Passel, S.; Thewys, T.
	Title	Analyzing a self-managed CHP system for greenhouse cultivation as a profitable way to reduce CO2-emissions			Type	A1 Journal article
	Year	2011	Publication	Energy	Abbreviated Journal	Energy
	Volume	36	Issue	4	Pages	1940-1947
	Keywords	A1 Journal article; Engineering sciences. Technology
	Abstract	To counter global warming, a transition to a low-carbon economy is needed. The greenhouse sector can contribute by installing Combined Heat and Power (CHP) systems, known for their excellent energy efficiency. Due to the recent European liberalization of the energy market, glass horticulturists have the opportunity to sell excess electricity to the market and by tailored policy and support measures, regional governments can fill the lack of technical and economic knowledge, causing initial resistance. This research investigates the economic and environmental opportunities using two detailed cases applying a self managed cogeneration system. The Net Present Value is calculated to investigate the economic feasibility. The Primary Energy Saving, the CO2 Emission Reduction indicator and an Emission Balance are applied to quantify the environmental impact. The results demonstrate that a self-managed CHP system is economic viable and that CO2 emissions are reduced. (C) 2010 Elsevier Ltd. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000289605900014	Publication Date	2010-04-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0360-5442	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.52	Times cited	19	Open Access
	Notes	; ;			Approved	Most recent IF: 4.52; 2011 IF: 3.487
	Call Number	UA @ admin @ c:irua:127561			Serial	6152
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	Author	Bafekry, A.; Stampfl, C.; Ghergherehchi, M.
	Title	Strain, electric-field and functionalization induced widely tunable electronic properties in MoS2/BC3, /C3N and / C3N4 van der Waals heterostructures			Type	A1 Journal article
	Year	2020	Publication	Nanotechnology (Bristol. Print)	Abbreviated Journal
	Volume		Issue		Pages	295202 pp
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	In this paper, the effect of BC3, C3N and C3N4BC(3) and MoS2/C(3)N4 heterostructures are direct semiconductors with band gaps of 0.4 and 1.74 eV, respectively, while MoS2/C3N is a metal. Furthermore, the influence of strain and electric field on the electronic structure of these van der Waals heterostructures is investigated. The MoS2/BC3 heterostructure, for strains larger than -4%, transforms it into a metal where the metallic character is maintained for strains larger than -6%. The band gap decreases with increasing strain to 0.35 eV (at +2%), while for strain (>+6%) a direct-indirect band gap transition is predicted to occur. For the MoS2/C3N heterostructure, the metallic character persists for all strains considered. On applying an electric field, the electronic properties of MoS2/C3N4 are modified and its band gap decreases as the electric field increases. Interestingly, the band gap reaches 30 meV at +0.8 V/angstrom, and with increase above +0.8 V/angstrom, a semiconductor-to-metal transition occurs. Furthermore, we investigated effects of semi- and full-hydrogenation of MoS2/C3N and we found that it leads to a metallic and semiconducting character, respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000532366000001	Publication Date	2020-04-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN	0957-4484	Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	19	Open Access
	Notes	; This work has supported by the National Research Foundation of Korea(NRF) grant funded by the Korea government(MSIT)(NRF-2017R1A2B2011989). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:169523			Serial	6444
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	Author	Joao, S.M.; Andelkovic, M.; Covaci, L.; Rappoport, T.G.; Lopes, J.M.V.P.; Ferreira, A.
	Title	KITE : high-performance accurate modelling of electronic structure and response functions of large molecules, disordered crystals and heterostructures			Type	A1 Journal article
	Year	2020	Publication	Royal Society Open Science	Abbreviated Journal	Roy Soc Open Sci
	Volume	7	Issue	2	Pages	191809-191832
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We present KITE, a general purpose open-source tight-binding software for accurate real-space simulations of electronic structure and quantum transport properties of large-scale molecular and condensed systems with tens of billions of atomic orbitals (N similar to 10(10)). KITE's core is written in C++, with a versatile Python-based interface, and is fully optimized for shared memory multi-node CPU architectures, thus scalable, efficient and fast. At the core of KITE is a seamless spectral expansion of lattice Green's functions, which enables large-scale calculations of generic target functions with uniform convergence and fine control over energy resolution. Several functionalities are demonstrated, ranging from simulations of local density of states and photo-emission spectroscopy of disordered materials to large-scale computations of optical conductivity tensors and real-space wave-packet propagation in the presence of magneto-static fields and spin-orbit coupling. On-the-fly calculations of real-space Green's functions are carried out with an efficient domain decomposition technique, allowing KITE to achieve nearly ideal linear scaling in its multi-threading performance. Crystalline defects and disorder, including vacancies, adsorbates and charged impurity centres, can be easily set up with KITE's intuitive interface, paving the way to user-friendly large-scale quantum simulations of equilibrium and non-equilibrium properties of molecules, disordered crystals and heterostructures subject to a variety of perturbations and external conditions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000518020200001	Publication Date	2020-02-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2054-5703	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.5	Times cited	19	Open Access	OpenAccess
	Notes	; T.G.R. and A.F. acknowledge support from the Newton Fund and the Royal Society through the Newton Advanced Fellowship scheme (ref. no. NA150043). M.A. and L.C. acknowledge support from the Trans2DTMD FlagEra project and the VSC (Flemish Supercomputer Center). A.F. acknowledges support from the Royal Society through a University Research Fellowship (ref. nos. UF130385 and URF-R-191021) and an Enhancement Award (ref. no. RGF-EA-180276). T.G.R. acknowledges the support from the Brazilian agencies CNPq and FAPERJ and COMPETE2020, PORTUGAL2020, FEDER and the Portuguese Foundation for Science and Technology (FCT) through project POCI-01-0145-FEDER-028114. S.M.J. is supported by Fundacao para a Ciencia e Tecnologia (FCT) under the grant no. PD/BD/142798/ 2018. S.M.J. and J.M.V.P.L. acknowledge financial support from the FCT, COMPETE 2020 programme in FEDER component (European Union), through projects POCI-01-0145-FEDER028887 and UID/FIS/04650/2013. S.M.J. and J.M.V.P.L. further acknowledge financial support from FCT through national funds, co-financed by COMPETE-FEDER (grant no. M-ERANET2/0002/2016 -UltraGraf) under the Partnership Agreement PT2020. ;			Approved	Most recent IF: 3.5; 2020 IF: 2.243
	Call Number	UA @ admin @ c:irua:167751			Serial	6556
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