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	Author	Yiu, H.H.P.; Niu, H.-jun; Biermans, E.; Van Tendeloo, G.; Rosseinsky, M.J.
	Title	Designed multifunctional nanocomposites for biomedical applications			Type	A1 Journal article
	Year	2010	Publication	Advanced functional materials	Abbreviated Journal	Adv Funct Mater
	Volume	20	Issue	10	Pages	1599-1609
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The assembly of multifunctional nanocomposite materials is demonstrated by exploiting the molecular sieving property of SBA-16 nanoporous silica and using it as a template material. The cages of the pore networks are used to host iron oxide magnetic nanoparticles, leaving a pore volume of 0.29 cm3 g-1 accessible for drug storage. This iron oxide-silica nanocomposite is then functionalized with amine groups. Finally the outside of the particle is decorated with antibodies. Since the size of many protein molecules, including that of antibodies, is too large to enter the pore system of SBA-16, the amine groups inside the pores are preserved for drug binding. This is proven using a fluorescent protein, fluorescein-isothiocyanate-labeled bovine serum albumin (FITC-BSA), with the unreacted amine groups inside the pores dyed with rhodamine B isothiocyanate (RITC). The resulting nanocomposite material offers a dual-targeting drug delivery mechanism, i.e., magnetic and antibody-targeting, while the functionalization approach is extendable to other applications, e.g., fluorescence-magnetic dual-imaging diagnosis.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000278597100008	Publication Date	2010-04-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301X;1616-3028;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	56	Open Access
	Notes				Approved	Most recent IF: 12.124; 2010 IF: 8.508
	Call Number	UA @ lucian @ c:irua:83298			Serial	662
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	Author	Földi, P.; Benedict, M.G.; Milton Pereira, J.; Peeters, F.M.
	Title	Dynamics of molecular nanomagnets in time-dependent external magnetic fields: beyond the Landau-Zener-Stückelberg model			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	75	Issue	10	Pages	104430,1-8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000245329100075	Publication Date	2007-03-30
	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	17	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:64273			Serial	778
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	Author	Neek-Amal, M.; Peeters, F.M.
	Title	Effect of grain boundary on the buckling of graphene nanoribbons			Type	A1 Journal article
	Year	2012	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	100	Issue	10	Pages	101905-101905,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The buckling of graphene nano-ribbons containing a grain boundary is studied using atomistic simulations where free and supported boundary conditions are invoked. We consider the buckling transition of two kinds of grain boundaries with special symmetry. When graphene contains a large angle grain boundary with theta = 21.8 degrees, the buckling strains are larger than those of perfect graphene when the ribbons with free (supported) boundary condition are subjected to compressive tension parallel (perpendicular) to the grain boundary. This is opposite for the results of theta = 32.2 degrees. The shape of the deformations of the buckled graphene nanoribbons depends on the boundary conditions, the presence of the particular used grain boundaries, and the direction of applied in-plane compressive tension. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.3692573]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000301655500021	Publication Date	2012-03-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	18	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Belgian Science Policy (IAP). ;			Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:97794			Serial	809
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	Author	Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, M.M.; Kalal, M.; Berdiyorov, G.R.
	Title	Effect of light gas atom inclusions on the characteristics of laser-produced plasma ions			Type	A1 Journal article
	Year	2011	Publication	Nuclear fusion	Abbreviated Journal	Nucl Fusion
	Volume	51	Issue	10	Pages	103041,1-103041,3
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the mass-spectrometric method we studied the effect of light gas inclusions on the formation process of multi-component laser-induced plasma ions. Masscharge characteristics, as well as energy and spatial distribution of the plasma ions are analysed. We found that both the energy and maximal charge of heavy component ions decrease due to the presence of gas atoms in the solid target surface layer.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Vienna	Editor
	Language		Wos	000296603800043	Publication Date	2011-09-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0029-5515;1741-4326;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.307	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 3.307; 2011 IF: 4.090
	Call Number	UA @ lucian @ c:irua:93761			Serial	821
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	Author	Croitoru, M.D.; van Dyck, D.; Van Aert, S.; Bals, S.; Verbeeck, J.
	Title	An efficient way of including thermal diffuse scattering in simulation of scanning transmission electron microscopic images			Type	A1 Journal article
	Year	2006	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	106	Issue	10	Pages	933-940
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT); Vision lab
	Abstract	We propose an improved image simulation procedure for atomic-resolution annular dark-field scanning transmission electron microscopy (STEM) based on the multislice formulation, which takes thermal diffuse scattering fully into account. The improvement with regard to the classical frozen phonon approach is realized by separating the lattice configuration statistics from the dynamical scattering so as to avoid repetitive calculations. As an example, the influence of phonon scattering on the image contrast is calculated and investigated. STEM image simulation of crystals can be applied with reasonable computing times to problems involving a large number of atoms and thick or large supercells.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000240397200006	Publication Date	2006-05-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	18	Open Access
	Notes	Fwo; Fwo-V			Approved	Most recent IF: 2.843; 2006 IF: 1.706
	Call Number	UA @ lucian @ c:irua:87604UA @ admin @ c:irua:87604			Serial	876
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	Author	Kirsanova, M.A.; Olenev, A.V.; Abakumov, A.M.; Bykov, M.A.; Shevelkov, A.V.
	Title	Extension of the clathrate family : the type X clathrate Ge₇₉P₂₉S₁₈Te₆			Type	A1 Journal article
	Year	2011	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	50	Issue	10	Pages	2371-2374
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Now they are 10! The title compound displays a new type of crystal structure and is labeled clathrate X according to the general classification of clathrate structures. In contrast to typical clathrates, this compound has three-coordinate atoms within the framework and combines distorted 24-vertex polyhedra (see picture, green) centered around tellurium guest atoms with very irregular 10-vertex polyhedra around sulfur atoms (yellow).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000288036300033	Publication Date	2011-01-31
	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	23	Open Access
	Notes				Approved	Most recent IF: 11.994; 2011 IF: 13.455
	Call Number	UA @ lucian @ c:irua:88793			Serial	1158
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	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	First principles computation of thermo-chemical properties beyond the harmonic approximation: 1: method and application to the water molecule and its isotopomers			Type	A1 Journal article
	Year	1992	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	96	Issue	10	Pages	7633-7645
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	A1992HU55700047	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.952	Times cited	59	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:4195			Serial	1206
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	Author	Shanenko, A.A.; Croitoru, M.D.; Vagov, A.; Peeters, F.M.
	Title	Giant drop in the Bardeen-Cooper-Schrieffer coherence length induced by quantum size effects in superconducting nanowires			Type	A1 Journal article
	Year	2010	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	82	Issue	10	Pages	104524-104524,6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The BCS coherence length in low-dimensional superconductors is dramatically modified by quantum-size effects. In particular, for nanowires made of conventional superconducting materials, we show that the longitudinal zero-temperature coherence length exhibits width-dependent drops by 23 orders of magnitude each time when the bottom of one of single-electron subbands formed due to the transverse quantization of electron motion is situated in a close vicinity to the Fermi level. This phenomenon has strong similarities to the well-known BCS-BEC (Bose-Einstein condensation) crossover in ultracold fermionic condensates but with an important exception: it is driven by the transverse quantization of the electron motion rather than by the externally controlled strength of the fermion-fermion interaction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000282269600005	Publication Date	2010-09-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	29	Open Access
	Notes	; This work was supported by the Flemish Science Foundation (FWO-Vl), the Belgian Science Policy (IAP), and the ESF-network: INSTANS. M. D. C. acknowledges support from the Alexander von Humboldt Foundation. A. A. S. thanks R. G. Mints, W. V. Pogosov, D. Y. Vodolazov, A. Perali, and A. Bianconi for fruitful discussions. ;			Approved	Most recent IF: 3.836; 2010 IF: 3.774
	Call Number	UA @ lucian @ c:irua:85419			Serial	1337
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	Author	Moldovan, D.; Peeters, F.M.
	Title	Strain engineering of the electronic properties of bilayer graphene quantum dots: Strain engineering of the electronic properties of bilayer graphene quantum dots			Type	A1 Journal article
	Year	2015	Publication	Physica status solidi: rapid research letters	Abbreviated Journal	Phys Status Solidi-R
	Volume	10	Issue	10	Pages	39-45
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the effect of mechanical deformations on the elec- tronic properties of hexagonal flakes of bilayer graphene. The behavior of electrons induced by triaxial strain can be de- scribed by an effective pseudo-magnetic field which is homo- geneous in the center of the flake. We find that in-plane strain, applied to both layers equally, can break the layer symmetry leading to different behavior in the top and bottom layers of graphene. At low energy, just one of the layers feels the pseudo-magnetic field: the zero-energy pseudo-Landau level is missing in the second layer, thus creating a gap be- tween the lowest non-zero levels. While the layer asymmetry is most significant at zero energy, interaction with the edges of the flake extends the effect to higher pseudo-Landau lev- els. The behavior of the top and bottom layers may be re- versed by rotating the triaxial strain by 60°.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000368814500005	Publication Date	2015-08-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6254;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.032	Times cited	9	Open Access
	Notes	This work was supported by the European Science Foundation (ESF) under the EUROCORES Program EuroGRAPHENE within the project CONGRAN, the Flemish Science Foundation (FWO-Vl) and the Methusalem Funding of the Flemish Government.			Approved	Most recent IF: 3.032; 2015 IF: 2.142
	Call Number	c:irua:129592			Serial	3970
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	Author	Vagov, A.; Croitoru, M.D.; Axt, V.M.; Kuhn, T.; Peeters, F.M.
	Title	High pulse area undamping of Rabi oscillations in quantum dots coupled to phonons			Type	A1 Journal article
	Year	2006	Publication	Physica status solidi B – Basic solid state physics	Abbreviated Journal	Phys Status Solidi B
	Volume	243	Issue	10	Pages	2233-2240
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000239932300005	Publication Date	2006-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0370-1972;1521-3951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.674	Times cited	16	Open Access
	Notes				Approved	Most recent IF: 1.674; 2006 IF: 0.967
	Call Number	UA @ lucian @ c:irua:60891			Serial	1440
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	Author	Khosravian, N.; Bogaerts, A.; Huygh, S.; Yusupov, M.; Neyts, E.C.
	Title	How do plasma-generated OH radicals react with biofilm components? Insights from atomic scale simulations			Type	A1 Journal article
	Year	2015	Publication	Biointerphases	Abbreviated Journal	Biointerphases
	Volume	10	Issue	10	Pages	029501
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The application of nonthermal atmospheric pressure plasma is emerging as an alternative and efficient technique for the inactivation of bacterial biofilms. In this study, reactive molecular dynamics simulations were used to examine the reaction mechanisms of hydroxyl radicals, as key reactive oxygen plasma species in biological systems, with several organic molecules (i.e., alkane, alcohol, carboxylic acid, and amine), as prototypical components of biomolecules in the biofilm. Our results demonstrate that organic molecules containing hydroxyl and carboxyl groups may act as trapping agents for the OH radicals. Moreover, the impact of OH radicals on N-acetyl-glucosamine, as constituent component of staphylococcus epidermidis biofilms, was investigated. The results show how impacts of OH radicals lead to hydrogen abstraction and subsequent molecular damage. This study thus provides new data on the reaction mechanisms of plasma species, and particularly the OH radicals, with fundamental components of bacterial biofilms.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000357195600019	Publication Date	2014-12-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1934-8630;1559-4106;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.603	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 2.603; 2015 IF: 3.374
	Call Number	c:irua:121371			Serial	1492
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	Author	Wende, K.; Williams, P.; Dalluge, J.; Van Gaens, W.; Aboubakr, H.; Bischof, J.; von Woedtke, T.; Goyal, S.M.; Weltmann, K.D.; Bogaerts, A.; Masur, K.; Bruggeman, P.J.;
	Title	Identification of the biologically active liquid chemistry induced by a nonthermal atmospheric pressure plasma jet			Type	A1 Journal article
	Year	2015	Publication	Biointerphases	Abbreviated Journal	Biointerphases
	Volume	10	Issue	10	Pages	029518
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The mechanism of interaction of cold nonequilibrium plasma jets with mammalian cells in physiologic liquid is reported. The major biological active species produced by an argon RF plasma jet responsible for cell viability reduction are analyzed by experimental results obtained through physical, biological, and chemical diagnostics. This is complemented with chemical kinetics modeling of the plasma source to assess the dominant reactive gas phase species. Different plasma chemistries are obtained by changing the feed gas composition of the cold argon based RF plasma jet from argon, humidified argon (0.27%), to argon/oxygen (1%) and argon/air (1%) at constant power. A minimal consensus physiologic liquid was used, providing isotonic and isohydric conditions and nutrients but is devoid of scavengers or serum constituents. While argon and humidified argon plasma led to the creation of hydrogen peroxide dominated action on the mammalian cells, argonoxygen and argonair plasma created a very different biological action and was characterized by trace amounts of hydrogen peroxide only. In particular, for the argonoxygen (1%), the authors observed a strong negative effect on mammalian cell proliferation and metabolism. This effect was distance dependent and showed a half life time of 30 min in a scavenger free physiologic buffer. Neither catalase and mannitol nor superoxide dismutase could rescue the cell proliferation rate. The strong distance dependency of the effect as well as the low water solubility rules out a major role for ozone and singlet oxygen but suggests a dominant role of atomic oxygen. Experimental results suggest that O reacts with chloride, yielding Cl2 − or ClO−. These chlorine species have a limited lifetime under physiologic conditions and therefore show a strong time dependent biological activity. The outcomes are compared with an argon MHz plasma jet (kinpen) to assess the differences between these (at least seemingly) similar plasma sources.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000357195600036	Publication Date	2015-05-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1934-8630;1559-4106;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.603	Times cited	137	Open Access
	Notes				Approved	Most recent IF: 2.603; 2015 IF: 3.374
	Call Number	c:irua:126774			Serial	1549
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	Author	Quintana, M.; Ke, X.; Van Tendeloo, G.; Meneghetti, M.; Bittencourt, C.; Prato, M.
	Title	Light-induced selective deposition of Au nanoparticles on single-wall carbon nanotubes			Type	A1 Journal article
	Year	2010	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	4	Issue	10	Pages	6105-6113
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Novel applications of single-walled carbon nanotubes (SWNT) rely on the development of new strategies to make them easier to handle without affecting their structural properties. In this work, we have selectively deposited Au nanoparticles (Au NP) on SWNT assisted by UV light irradiation. XPS analysis and UV-vis spectroscopy indicate that the deposition occurs at the defects generated after oxidation of the SWNT. By addition of n-dodecylthiol, the separation of oxidized tubes with Au NP (Au-ox-SWNT) from tubes devoid of Au NP (bare tubes, b-SWNT) was achieved. Raman and UV-vis-NIR spectra indicate that UV irradiation induces a faster nucleation of Au NP on metallic SWNT. This new technique can be useful for the preparation of nanohybrid composites with enhanced properties, as increased thermal stability, and to obtain purified SWNT.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000283453700081	Publication Date	2010-09-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851;1936-086X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	26	Open Access
	Notes				Approved	Most recent IF: 13.942; 2010 IF: 9.865
	Call Number	UA @ lucian @ c:irua:99202			Serial	1819
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	Author	Lepoittevin, C.; Malo, S.; Barrier, N.; Nguyen, N.; Van Tendeloo, G.; Hervieu, M.
	Title	Long-range ordering in the Bi_1-xAe_xFeO_3-x/2 perovskites: Bi_1/3Sr_2/3FeO_2.67 and Bi_1/2Ca_1/2FeO_2.75			Type	A1 Journal article
	Year	2008	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	181	Issue	10	Pages	2601-2609
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Two-ordered perovskites, Bi1/3Sr2/3FeO2.67 and Bi1/2Ca1/2FeO2.75, have been stabilized and characterized by transmission electron microscopy, Mössbauer spectroscopy and X-ray powder diffraction techniques. They both exhibit orthorhombic superstructures, one with a≈b≈2ap and c≈3ap (S.G.: Pb2n or Pbmn) for the Sr-based compound and one with a≈b≈2ap and c≈8ap (S.G.: B222, Bmm2, B2mm or Bmmm) for the Ca-based one. The high-resolution transmission electron microscopy (HRTEM) images evidence the existence of one deficient [FeOx]∞ layer, suggesting that Bi1/3Sr2/3FeO2.67 and Bi1/2Ca1/2FeO2.75 behave differently compared to their Ln-based homolog. The HAADF-STEM images allow to propose a model of cation ordering on the A sites of the perovskite. The Mössbauer analyses confirm the trivalent state of iron and its complex environment with three types of coordination. Both compounds exhibit a high value of resistivity and the inverse molar susceptibility versus temperature curves evidence a magnetic transition at about 730 K for the Bi1/3Sr2/3FeO2.67 and a smooth reversible transition between 590 and 650 K for Bi1/2Ca1/2FeO2.75.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000260441000008	Publication Date	2008-06-08
	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	27	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 2.299; 2008 IF: 1.910
	Call Number	UA @ lucian @ c:irua:75663			Serial	1839
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	Author	Schapotschnikow, P.; van Huis, M.A.; Zandbergen, H.W.; Vanmaekelbergh, D.; Vlugt, T.J.H.
	Title	Morphological transformations and fusion of PbSe nanocrystals studied using atomistic simulations			Type	A1 Journal article
	Year	2010	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	10	Issue	10	Pages	3966-3971
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Molecular dynamics simulations are performed on capped and uncapped PbSe nanocrystals, employing newly developed classical interaction potentials. Here, we show that two uncapped nanocrystals fuse efficiently via direct surface attachment, even if they are initially misaligned. In sharp contrast to the general belief, interparticle dipole interactions do not play a significant role in this oriented attachment process. Furthermore, it is shown that presumably polar, capped PbSe{111} facets are never fully Pb- or Se-terminated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington	Editor
	Language		Wos	000282727600028	Publication Date	2010-09-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984;1530-6992;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	59	Open Access
	Notes				Approved	Most recent IF: 12.712; 2010 IF: 12.219
	Call Number	UA @ lucian @ c:irua:84902			Serial	2205
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	Author	Abakumov, A.M.; Tsirlin, A.A.; Bakaimi, I.; Van Tendeloo, G.; Lappas, A.
	Title	Multiple twinning as a structure directing mechanism in layered rock-salt-type oxides : NaMnO₂ polymorphism, redox potentials, and magnetism			Type	A1 Journal article
	Year	2014	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	26	Issue	10	Pages	3306-3315
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	New polymorphs of NaMnO2 have been observed using transmission electron microscopy and synchrotron X-ray powder diffraction. Coherent twin planes confined to the (NaMnO2) layers, parallel to the (10 (1) over bar) crystallographic planes of the monoclinic layered rock-salt-type alpha-NaMnO2 (O3) structure, form quasi-periodic modulated sequences, with the known alpha-and beta-NaMnO2 polymorphs as the two limiting cases. The energy difference between the polymorphic forms, estimated using a DFT-based structure relaxation, is on the scale of the typical thermal energies that results in a high degree of stacking disorder in these compounds. The results unveil the remarkable effect of the twin planes on both the magnetic and electrochemical properties. The polymorphism drives the magnetic ground state from a quasi-1D spin system for the geometrically frustrated alpha-polymorph through a two-leg spin ladder for the intermediate stacking sequence toward a quasi-2D magnet for the beta-polymorph. A substantial increase of the equilibrium potential for Na deintercalation upon increasing the concentration of the twin planes is calculated, providing a possibility to tune the electrochemical potential of the layered rock-salt ABO(2) cathodes by engineering the materials with a controlled concentration of twins.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000336637000036	Publication Date	2014-05-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	35	Open Access
	Notes				Approved	Most recent IF: 9.466; 2014 IF: 8.354
	Call Number	UA @ lucian @ c:irua:117766			Serial	2232
Permanent link to this record



	Author	Silhanek, A.V.; Gillijns, W.; Milošević, M.V.; Volodin, A.; Moshchalkov, V.V.; Peeters, F.
	Title	Optimization of superconducting critical parameters by tuning the size and magnetization of arrays of magnetic dots			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	76	Issue	10	Pages	100502,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000249786300012	Publication Date	2007-09-10
	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	27	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:66607			Serial	2489
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	Author	Felten, A.; Ghijsen, J.; Pireaux, J.-J.; Whelan, C.M.; Liang, D.; Van Tendeloo, G.; Bittencourt, C.
	Title	Photoemission study of CF₄ rf-plasma treated multi-wall carbon nanotubes			Type	A1 Journal article
	Year	2008	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	46	Issue	10	Pages	1271-1275
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Multi-wall carbon nanotubes (MWCNTs) were exposed to a CF4 rf-plasma. X-ray photoelectron spectroscopy analysis shows that the treatment effectively grafts fluorine atoms onto the MWCNTs. The fluorine atomic concentration and the nature of the CF bond (semi-ionic or covalent) can be tuned by varying the exposure time. Ultraviolet photoelectron spectroscopy analysis confirms that the valence electronic states are altered by the grafting of fluorine atoms. Characterization with high-resolution transmission electron microscopy reveals that while the plasma treatment does not induce significant etching impact on the CNT-surface, it does increase the number of active sites for gold cluster formation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000258987500001	Publication Date	2008-05-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.337	Times cited	21	Open Access
	Notes				Approved	Most recent IF: 6.337; 2008 IF: 4.373
	Call Number	UA @ lucian @ c:irua:76481			Serial	2612
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	Author	Idrissi, H.; Kobler, A.; Amin-Ahmadi, B.; Coulombier, M.; Galceran, M.; Raskin, J.-P.; Godet, S.; Kuebel, C.; Pardoen, T.; Schryvers, D.
	Title	Plasticity mechanisms in ultrafine grained freestanding aluminum thin films revealed by in-situ transmission electron microscopy nanomechanical testing			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	104	Issue	10	Pages	101903
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In-situ bright field transmission electron microscopy (TEM) nanomechanical tensile testing and in-situ automated crystallographic orientation mapping in TEM were combined to unravel the elementary mechanisms controlling the plasticity of ultrafine grained Aluminum freestanding thin films. The characterizations demonstrate that deformation proceeds with a transition from grain rotation to intragranular dislocation glide and starvation plasticity mechanism at about 1% deformation. The grain rotation is not affected by the character of the grain boundaries. No grain growth or twinning is detected. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000333082800022	Publication Date	2014-03-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;1077-3118;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	24	Open Access
	Notes				Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:116866			Serial	2649
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	Author	Neek-Amal, M.; Peeters, F.M.; Grigorieva, I.V.; Geim, A.K.
	Title	Commensurability Effects in Viscosity of Nanoconfined Water			Type	A1 Journal article
	Year	2016	Publication	ACS nano	Abbreviated Journal	Acs Nano
	Volume	10	Issue	10	Pages	3685-3692
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The rate of water flow through hydrophobic nanocapillaries is greatly enhanced as compared to that expected from macroscopic hydrodynamics. This phenomenon is usually described in terms of a relatively large slip length, which is in turn defined by such microscopic properties as the friction between water and capillary surfaces and the viscosity of water. We show that the viscosity of water and, therefore, its flow rate are profoundly affected by the layered structure of confined water if the capillary size becomes less than 2 nm. To this end, we study the structure and dynamics of water confined between two parallel graphene layers using equilibrium molecular dynamics simulations. We find that the shear viscosity is not only greatly enhanced for subnanometer capillaries, but also exhibits large oscillations that originate from commensurability between the capillary size and the size of water molecules. Such oscillating behavior of viscosity and, consequently, the slip length should be taken into account in designing and studying graphene-based and similar membranes for desalination and filtration.
	Address	School of Physics and Astronomy, University of Manchester , Manchester M13 9PL, United Kingdom
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000372855400073	Publication Date	2016-02-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.942	Times cited	160	Open Access
	Notes	; M.N.A. was support by Shahid Rajaee Teacher Training University under contract number 29605. ;			Approved	Most recent IF: 13.942
	Call Number	c:irua:133237			Serial	4012
Permanent link to this record



	Author	Van Aert, S.; Verbeeck, J.; Erni, R.; Bals, S.; Luysberg, M.; van Dyck, D.; Van Tendeloo, G.
	Title	Quantitative atomic resolution mapping using high-angle annular dark field scanning transmission electron microscopy			Type	A1 Journal article
	Year	2009	Publication	Ultramicroscopy	Abbreviated Journal	Ultramicroscopy
	Volume	109	Issue	10	Pages	1236-1244
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Vision lab
	Abstract	A model-based method is proposed to relatively quantify the chemical composition of atomic columns using high angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) images. The method is based on a quantification of the total intensity of the scattered electrons for the individual atomic columns using statistical parameter estimation theory. In order to apply this theory, a model is required describing the image contrast of the HAADF STEM images. Therefore, a simple, effective incoherent model has been assumed which takes the probe intensity profile into account. The scattered intensities can then be estimated by fitting this model to an experimental HAADF STEM image. These estimates are used as a performance measure to distinguish between different atomic column types and to identify the nature of unknown columns with good accuracy and precision using statistical hypothesis testing. The reliability of the method is supported by means of simulated HAADF STEM images as well as a combination of experimental images and electron energy-loss spectra. It is experimentally shown that statistically meaningful information on the composition of individual columns can be obtained even if the difference in averaged atomic number Z is only 3. Using this method, quantitative mapping at atomic resolution using HAADF STEM images only has become possible without the need of simultaneously recorded electron energy loss spectra.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000270015200004	Publication Date	2009-05-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-3991;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.843	Times cited	166	Open Access
	Notes	Fwo; Esteem 026019			Approved	Most recent IF: 2.843; 2009 IF: 2.067
	Call Number	UA @ lucian @ c:irua:78585UA @ admin @ c:irua:78585			Serial	2748
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	Author	Chang, K.; Xia, J.B.; Wu, H.B.; Feng, S.L.; Peeters, F.M.
	Title	Quantum-confined magneto-Stark effect in diluted magnetic semiconductor coupled quantum wells			Type	A1 Journal article
	Year	2002	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	80	Issue	10	Pages	1788-1790
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The magneto-Stark effect in a diluted magnetic semiconductor (DMS) coupled quantum well (CQW) induced by an in-plane magnetic field is investigate theoretically. Unlike the usual electro-Stark effects, in a DMS CQW the Lorenz force leads to a spatially separated exciton. The in-plane magnetic field can shift the ground state of the magnetoexciton from a zero in-plane center of mass (CM)/momentum to a finite CM momentum, and render the ground state of magnetoexciton stable against radiative recombination due to momentum conservation. (C) 2002 American Institute of Physics.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000174181800036	Publication Date	2002-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 3.411; 2002 IF: 4.207
	Call Number	UA @ lucian @ c:irua:94932			Serial	2775
Permanent link to this record



	Author	Neyts, E.; Tacq, M.; Bogaerts, A.
	Title	Reaction mechanisms of low-kinetic energy hydrocarbon radicals on typical hydrogenated amorphous carbon (a-C:H) sites: a molecular dynamics study			Type	A1 Journal article
	Year	2006	Publication	Diamond and related materials	Abbreviated Journal	Diam Relat Mater
	Volume	15	Issue	10	Pages	1663-1676
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000241224000026	Publication Date	2006-03-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-9635;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.561	Times cited	18	Open Access
	Notes				Approved	Most recent IF: 2.561; 2006 IF: 1.935
	Call Number	UA @ lucian @ c:irua:59634			Serial	2819
Permanent link to this record



	Author	Szumniak, P.; Bednarek, S.; Partoens, B.; Peeters, F.M.
	Title	Spin-orbit-mediated manipulation of heavy-hole spin qubits in gated semiconductor nanodevices			Type	A1 Journal article
	Year	2012	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	109	Issue	10	Pages	107201
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A novel spintronic nanodevice is proposed that is able to manipulate the single heavy-hole spin state in a coherent manner. It can act as a single quantum logic gate. The heavy-hole spin transformations are realized by transporting the hole around closed loops defined by metal gates deposited on top of the nanodevice. The device exploits Dresselhaus spin-orbit interaction, which translates the spatial motion of the hole into a rotation of the spin. The proposed quantum gate operates on subnanosecond time scales and requires only the application of a weak static voltage which allows for addressing heavy-hole spin qubits individually. Our results are supported by quantum mechanical time-dependent calculations within the four-band Luttinger-Kohn model.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000308295700015	Publication Date	2012-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9007;1079-7114;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.462	Times cited	41	Open Access
	Notes	; This work was supported by the Grant No. NN202 128337 from the Ministry of Science and Higher Education, as well as by the “Krakow Interdisciplinary PhD-Project in Nanoscience and Advances Nanostructures” operated within the Foundation for Polish Science MPD Programme and cofinanced by European Regional Development Fund, the Belgian Science Policy (IAP), and the Flemish Science Foundation (FWO-V1). ;			Approved	Most recent IF: 8.462; 2012 IF: 7.943
	Call Number	UA @ lucian @ c:irua:101849			Serial	3094
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	Author	Tadić, M.; Peeters, F.M.; Janssens, K.L.; Korkusinski, M.; Hawrylak, P.
	Title	Strain and band edges in single and coupled cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots			Type	A1 Journal article
	Year	2002	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	92	Issue	10	Pages	5819-5829
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A comparative study is made of the strain distribution in cylindrical InAs/GaAs and InP/InGaP self-assembled quantum dots as obtained from isotropic elasticity theory, the anisotropic continuum mechanical model, and from atomistic calculations. For the isotropic case, the recently proposed approach [J. H. Davies, J. Appl. Phys. 84, 1358 (1998)] is used, while the finite-element method, the valence force field method, and Stillinger-Weber potentials are employed to calculate the strain in anisotropic structures. We found that all four methods result in strain distributions of similar shapes, but with notable quantitative differences inside the dot and near the disk-matrix boundary. The variations of the diagonal strains with the height of the quantum dot, with fixed radius, as calculated from all models, are almost linear. Furthermore, the energies of the band edges in the two types of quantum dots are extracted from the multiband effective-mass theory by inserting the strain distributions as obtained by the four models. We demonstrated that all strain models produce effective potentials for the heavy and light holes which agree very well inside the dot. A negligible anisotropy of all normal strains in the (x,y) plane is found, which, providing the axial symmetry of the kinetic part of the multiband effective-mass Hamiltonian, justifies the use of the axial approximation. Strain propagation along the vertical direction is also considered with the aim to study the influence of strain on the electron coupling in stacks of quantum dots. We found that the interaction between the strain fields of the individual quantum dots makes the effective quantum wells for the electrons in the conduction band shallower, thereby counteracting the quantum mechanical coupling. (C) 2002 American Institute of Physics.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000178987200036	Publication Date	2002-11-07
	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	73	Open Access
	Notes				Approved	Most recent IF: 2.068; 2002 IF: 2.281
	Call Number	UA @ lucian @ c:irua:103327			Serial	3164
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	Author	Verbist, G.; Smondyrev, M.A.; Peeters, F.M.; Devreese, J.T.
	Title	Strong-coupling analysis of large bipolarons in 2 and 3 dimensions			Type	A1 Journal article
	Year	1992	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	45	Issue	10	Pages	5262-5269
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Theory of quantum systems and complex systems
	Abstract	In the limit of strong electron-phonon coupling, we use either a Pekar-type or an oscillator wave function for the center-of-mass coordinate and either a Coulomb or an oscillator wave function for the relative coordinate, and are able to reproduce all the results from the literature for the large-bipolaron binding energy. Lower bounds are constructed for the critical ratio eta(c) of dielectric constants below which bipolarons can exist. It is found that, in the strong-coupling limit, the stability region for bipolaron formation is much larger in two dimensions (2D) than in 3D. We introduce a model that combines the averaging of the relative coordinate over the asymptotically best wave function with a path-integral treatment of the center-of-mass motion. The stability region for bipolaron formation is increased compared with the full path-integral treatment at large values of the coupling constant alpha. The critical values are alpha(c) almost-equal-to 9.3 in 3D and alpha(c) almost-equal-to 4.5 in 2D. Phase diagrams for the presented models are also obtained in both 2D and 3D.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1992HJ68900016	Publication Date	2002-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0163-1829;1095-3795;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	68	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:103051			Serial	3178
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	Author	Dzhurakhalov, A.A.; Peeters, F.M.
	Title	Structure and energetics of hydrogen chemisorbed on a single graphene layer to produce graphane			Type	A1 Journal article
	Year	2011	Publication	Carbon	Abbreviated Journal	Carbon
	Volume	49	Issue	10	Pages	3258-3266
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Integrated Molecular Plant Physiology Research (IMPRES)
	Abstract	Chemisorption of hydrogen on graphene is studied using atomistic simulations with the second generation of reactive empirical bond order Brenner inter-atomic potential. The lowest energy adsorption sites and the most important metastable sites are determined. The H concentration is varied from a single H atom, to clusters of H atoms up to full coverage. We found that when two or more H atoms are present, the most stable configurations of H chemisorption on a single graphene layer are ortho hydrogen pairs adsorbed on one side or on both sides of the graphene sheet. The latter has the highest hydrogen binding energy. The next stable configuration is the orthopara pair combination, and then para hydrogen pairs. The structural changes of graphene caused by chemisorbed hydrogen are discussed and are compared with existing experimental data and other theoretical calculations. The obtained results will be useful for nanoengineering of graphene by hydrogenation and for hydrogen storage.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	000291959300014	Publication Date	2011-04-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0008-6223;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.337	Times cited	46	Open Access
	Notes	; A.D. thanks M.W. Zhao for a useful correspondence. This work was supported by the Belgian Science Policy (IAP) and the Flemish Science Foundation (FWO-VI). ;			Approved	Most recent IF: 6.337; 2011 IF: 5.378
	Call Number	UA @ lucian @ c:irua:90877			Serial	3275
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	Author	Vodolazov, D.Y.; Peeters, F.M.
	Title	Symmetric and asymmetric states in a mesoscopic superconducting wire in the voltage-driven regime			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	75	Issue	10	Pages	104515,1-4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000245329100092	Publication Date	2007-03-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121;1550-235X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	6	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:64274			Serial	3400
Permanent link to this record



	Author	Abakumov, A.M.; Hadermann, J.; Kalyuzhnaya, A.S.; Rozova, M.G.; Mikheev, M.G.; Van Tendeloo, G.; Antipov, E.V.
	Title	Ca_6.3Mn₃Ga_4.4Al_1.3O₁₈: a novel complex oxide with 3D tetrahedral framework			Type	A1 Journal article
	Year	2005	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	178	Issue	10	Pages	3137-3144
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000232418200022	Publication Date	2005-08-26
	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	5	Open Access
	Notes	Iap V-1; Rfbr; Intas – Ysf			Approved	Most recent IF: 2.299; 2005 IF: 1.725
	Call Number	UA @ lucian @ c:irua:55030			Serial	3520
Permanent link to this record



	Author	Singh, S.K.; Srinivasan, S.G.; Neek-Amal, M.; Costamagna, S.; van Duin, A.C.T.; Peeters, F.M.
	Title	Thermal properties of fluorinated graphene			Type	A1 Journal article
	Year	2013	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	87	Issue	10	Pages	104114-104116
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Large-scale atomistic simulations using the reactive force field approach are implemented to investigate the thermomechanical properties of fluorinated graphene (FG). A set of parameters for the reactive force field potential optimized to reproduce key quantum mechanical properties of relevant carbon-fluorine cluster systems are presented. Molecular dynamics simulations are used to investigate the thermal rippling behavior of FG and its mechanical properties and compare them with graphene, graphane and a sheet of boron nitride. The mean square value of the height fluctuations < h(2)> and the height-height correlation function H(q) for different system sizes and temperatures show that FG is an unrippled system in contrast to the thermal rippling behavior of graphene. The effective Young's modulus of a flake of fluorinated graphene is obtained to be 273 N/m and 250 N/m for a flake of FG under uniaxial strain along armchair and zigzag directions, respectively. DOI: 10.1103/PhysRevB.87.104114
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000316933500002	Publication Date	2013-03-29
	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	80	Open Access
	Notes	; M.N.-A. is supported by the EU-Marie Curie IIF postdoc Fellowship/299855. This work is supported by the ESF-Eurographene project CONGRAN, the Flemish Science Foundation (FWO-Vl), and the Methusalem Foundation of the Flemish Government. S. G. S. and A.C.T.vD. acknowledge support by the Air Force Office of Scientific Research (AFOSR) under Grant No. FA9550-10-1-0563. ;			Approved	Most recent IF: 3.836; 2013 IF: 3.664
	Call Number	UA @ lucian @ c:irua:108495			Serial	3629
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