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	Author	van Heurck, C.; Van Tendeloo, G.; Amelinckx, S.
	Title	The modulated structure in the melilite CA2ZnGe2O7			Type	A1 Journal article
	Year	1992	Publication	Physics and chemistry of minerals	Abbreviated Journal	Phys Chem Miner
	Volume	8	Issue		Pages	441-452
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Berlin	Editor
	Language		Wos	A1992HM23200005	Publication Date	2004-08-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0342-1791;1432-2021;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.538	Times cited	19	Open Access
	Notes				Approved	CHEMISTRY, PHYSICAL 54/144 Q2 # PHYSICS, ATOMIC, MOLECULAR & CHEMICAL 9/35 Q2 #
	Call Number	UA @ lucian @ c:irua:4438			Serial	2164
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	Author	Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Greaves, C.
	Title	The modulated structure of Ca.85CuO2 as studied by means of electron diffraction			Type	A1 Journal article
	Year	1992	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	97	Issue		Pages	405-418
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1992HL68700019	Publication Date	0000-00-00
	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	2.133	Times cited	15	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:4439			Serial	2165
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	Author	Sanchez-Munoz, L.; Nistor, L.; Van Tendeloo, G.; Sanz, J.
	Title	Modulated structures in KAISi3O8: a study by high resolution electron microscopy and 29Si MAS-NMR spectroscopy			Type	A1 Journal article
	Year	1998	Publication	Journal of electron microscopy	Abbreviated Journal	Microscopy-Jpn
	Volume	47	Issue	1	Pages	17-28
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Tokyo	Editor
	Language		Wos	000073247300003	Publication Date	2012-04-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-0744;1477-9986;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.9	Times cited	10	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:25661			Serial	2166
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	Author	Musolino, N.; Bals, S.; Van Tendeloo, G.; Clayton, N.; Walker, E.; Flükiger, R.
	Title	Modulation-free phase in heavily Pb-doped (Bi,Pb)2212 crystals			Type	A1 Journal article
	Year	2003	Publication	Physica: C : superconductivity	Abbreviated Journal	Physica C
	Volume	399	Issue	1/2	Pages	1-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We report the complete disappearance of the structural modulation in heavily lead-doped Bi2-xPbxSr2CaCu2O8+delta crystals observed by transmission electron microscopy. Crystals with a nominal lead content of x = 0.8, corresponding to an effective lead content of x = 0.39, yield the non-modulated phase. The superconducting properties of this modulation-free phase (beta phase) have been studied and compared to those of undoped crystals displaying the modulated phase (alpha phase). Magnetisation measurements reveal that the irreversibility field H-irr(T) and relaxation rates are strongly improved within the beta phase. Measurements of the lower critical field, H-c1, show that the anisotropy factor, epsilon, is considerably reduced in the modulation-free crystals. This is the signature of stronger coupling between CuO2 layers which in turn deeply influences the effectiveness of the pinning. These measurements explain the enhanced pinning properties in moderately Pb-doped crystals in which the alpha phase and beta phase coexist. The enhanced pinning is not only due to the alpha/beta interfaces, which act as effective pinning centers: the emergence of modulation-free domains, characterized by a strongly reduced anisotropy, also significantly contribute to this effect. (C) 2003 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000186526200001	Publication Date	2003-09-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-4534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.404	Times cited	31	Open Access
	Notes				Approved	Most recent IF: 1.404; 2003 IF: 1.192
	Call Number	UA @ lucian @ c:irua:54797			Serial	2167
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	Author	Verbist, K.; Milat, O.; Van Tendeloo, G.; Arrouy, F.; Williams, E.J.; Rossel, C.; Machler, E.; Locquet, J.-P.
	Title	Molecular beam epitaxy and microstructural study of La_2-xSr_1+xCu₂O_6+y thin films			Type	A1 Journal article
	Year	1997	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	56	Issue	2	Pages	853-861
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1997XL82700052	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121; 0163-1829	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	2	Open Access
	Notes				Approved	Most recent IF: 3.836; 1997 IF: NA
	Call Number	UA @ lucian @ c:irua:21441			Serial	2168
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	Author	Chen, Z.; Yu, M.Y.; Luo, H.
	Title	Molecular dynamics simulation of dust clusters in plasmas			Type	A1 Journal article
	Year	2005	Publication	Physica scripta	Abbreviated Journal	Phys Scripta
	Volume	71	Issue	6	Pages	638-643
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Finite and infinite three-dimensional dust systems and their configurational and transport properties are investigated by Molecular Dynamics simulation. The model dust-dust interaction potential includes an attraction part. Spherical dust clusters or balls are found and their structural and transport properties studied. Qualitatively, the cluster structure agrees well with recent experimental results.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Stockholm	Editor
	Language		Wos	000230087300010	Publication Date	2006-01-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-8949;1402-4896;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.28	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 1.28; 2005 IF: 1.240
	Call Number	UA @ lucian @ c:irua:95096			Serial	2169
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	Author	Georgieva, V.; Todorov, I.T.; Bogaerts, A.
	Title	Molecular dynamics simulation of oxide thin film growth: importance of the inter-atomic interaction potential			Type	A1 Journal article
	Year	2010	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	485	Issue	4/6	Pages	315-319
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A molecular dynamics (MD) study of MgxAlyOz thin films grown by magnetron sputtering is presented using an ionic model and comparing two potential sets with formal and partial charges. The applicability of the model and the reliability of the potential sets for the simulation of thin film growth are discussed. The formal charge potential set was found to reproduce the thin film structure in close agreement with the structure of the experimentally grown thin films. Graphical abstract A molecular dynamics study of growth of MgxAlyOz thin films is presented using an ionic model and comparing two potential sets with formal and partial charges. The simulation results with the formal charge potential set showed a transition in the film from a crystalline to an amorphous structure, when the Mg metal content decreases below 50% in very close agreement with the structure of the experimentally deposited films.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000273782600010	Publication Date	2010-01-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0009-2614;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.815	Times cited	16	Open Access
	Notes				Approved	Most recent IF: 1.815; 2010 IF: 2.282
	Call Number	UA @ lucian @ c:irua:80023			Serial	2170
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	Author	Jian-Ping, N.; Xiao-Dan, L.; Cheng-Li, Z.; You-Min, Q.; Ping-Ni, H.; Bogaerts, A.; Fu-Jun, G.
	Title	Molecular dynamics simulation of temperature effects on CF(3)(+) etching of Si surface			Type	A1 Journal article
	Year	2010	Publication	Wuli xuebao	Abbreviated Journal	Acta Phys Sin-Ch Ed
	Volume	59	Issue	10	Pages	7225-7231
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Molecular dynamics method was employed to investigate the effects of the reaction layer formed near the surface region on CF(3)(+) etching of Si at different temperatures. The simulation results show that the coverages of F and C are sensitive to the surface temperature. With increasing temperature, the physical etching is enhanced, while the chemical etching is weakened. It is found that with increasing surface temperature, the etching rate of Si increases. As to the etching products, the yields of SiF and SiF(2) increase with temperature, whereas the yield of SiF(3) is not sensitive to the surface temperature. And the increase of the etching yield is mainly due to the increased desorption of SiF and SiF(2). The comparison shows that the reactive layer plays an important part in the subsequeat impacting, which enhances the etching rate of Si and weakens the chemical etching intensity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1000-3290	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.624	Times cited		Open Access
	Notes				Approved	Most recent IF: 0.624; 2010 IF: 1.259
	Call Number	UA @ lucian @ c:irua:95564			Serial	2171
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	Author	Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van de Sanden, M.C.M.
	Title	Molecular dynamics simulation of the impact behaviour of various hydrocarbon species on DLC			Type	A1 Journal article
	Year	2005	Publication	Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms	Abbreviated Journal	Nucl Instrum Meth B
	Volume	228	Issue		Pages	315-318
	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	000226669800052	Publication Date	2004-12-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0168-583X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.109	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 1.109; 2005 IF: 1.181
	Call Number	UA @ lucian @ c:irua:49873			Serial	2172
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	Author	Neyts, E.; Bogaerts, A.; Gijbels, R.; Benedikt, J.; van den Sanden, M.C.M.
	Title	Molecular dynamics simulations for the growth of diamond-like carbon films from low kinetic energy species			Type	A1 Journal article
	Year	2004	Publication	Diamond and related materials	Abbreviated Journal	Diam Relat Mater
	Volume	13	Issue		Pages	1873-1881
	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	000223883400021	Publication Date	2004-07-30
	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	53	Open Access
	Notes				Approved	Most recent IF: 2.561; 2004 IF: 1.670
	Call Number	UA @ lucian @ c:irua:48276			Serial	2173
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	Author	Brault, P.; Neyts, E.C.
	Title	Molecular dynamics simulations of supported metal nanocatalyst formation by plasma sputtering			Type	A1 Journal article
	Year	2015	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	256	Issue	256	Pages	3-12
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Magnetron sputtering is a widely used physical vapor deposition technique for deposition and formation of nanocatalyst thin films and clusters. Nevertheless, so far only few studies investigated this formation process at the fundamental level. We here review atomic scale molecular dynamics simulations aimed at elucidating the nanocatalyst growth process through magnetron sputtering. We first introduce the basic magnetron sputtering background and machinery of molecular dynamics simulations, and then describe the studies conducted in this field so far. We also present a perspective view on how the field may be developed further.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000360085300002	Publication Date	2015-02-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0920-5861;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.636	Times cited	18	Open Access
	Notes				Approved	Most recent IF: 4.636; 2015 IF: 3.893
	Call Number	c:irua:127408			Serial	2174
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	Author	Gou, F.; Neyts, E.; Eckert, M.; Tinck, S.; Bogaerts, A.
	Title	Molecular dynamics simulations of Cl⁺ etching on a Si(100) surface			Type	A1 Journal article
	Year	2010	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	107	Issue	11	Pages	113305,1-113305,6
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Molecular dynamics simulations using improved TersoffBrenner potential parameters were performed to investigate Cl+ etching of a {2×1} reconstructed Si(100) surface. Steady-state Si etching accompanying the Cl coverage of the surface is observed. Furthermore, a steady-state chlorinated reaction layer is formed. The thickness of this reaction layer is found to increase with increasing energy. The stoichiometry of SiClx species in the reaction layer is found to be SiCl:SiCl2:SiCl3 = 1.0:0.14:0.008 at 50 eV. These results are in excellent agreement with available experimental data. While elemental Si products are created by physical sputtering, most SiClx (0<x<4) etch products are produced by chemical-enhanced physical sputtering.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000278907100018	Publication Date	2010-06-04
	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	15	Open Access
	Notes				Approved	Most recent IF: 2.068; 2010 IF: 2.079
	Call Number	UA @ lucian @ c:irua:82663			Serial	2175
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	Author	Neyts, E.; Eckert, M.; Bogaerts, A.
	Title	Molecular dynamics simulations of the growth of thin a-C:H films under additional ion bombardment: influence of the growth species and the Ar⁺ ion kinetic energy			Type	A1 Journal article
	Year	2007	Publication	Chemical vapor deposition	Abbreviated Journal	Chem Vapor Depos
	Volume	13	Issue	6/7	Pages	312-318
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000248381800007	Publication Date	2007-07-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0948-1907;1521-3862;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.333	Times cited	14	Open Access
	Notes				Approved	Most recent IF: 1.333; 2007 IF: 1.936
	Call Number	UA @ lucian @ c:irua:64532			Serial	2176
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	Author	Eckert, M.; Neyts, E.; Bogaerts, A.
	Title	Molecular dynamics simulations of the sticking and etch behavior of various growth species of (ultra)nanocrystalline diamond films			Type	A1 Journal article
	Year	2008	Publication	Chemical vapor deposition	Abbreviated Journal	Chem Vapor Depos
	Volume	14	Issue	7/8	Pages	213-223
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The reaction behavior of species that may affect the growth of ultrananocrystal line and nanocrystalline diamond ((U)NCD) films is investigated by means of molecular dynamics simulations. Impacts of CHx (x = 0 – 4), C2Hx (x=0-6), C3Hx (x=0-2), C4Hx (x = 0 – 2), H, and H-2 on clean and hydrogenated diamond (100)2 x 1 and (111) 1 x 1 surfaces at two different substrate temperatures are simulated. We find that the different bonding structures of the two surfaces cause different temperature effects on the sticking efficiency. These results predict a temperature-dependent ratio of diamond (100) and (111) growth. Furthermore, predictions of which are the most important hydrocarbon species for (U)NCD growth are made.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000259302700008	Publication Date	2008-08-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0948-1907;1521-3862;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.333	Times cited	25	Open Access
	Notes				Approved	Most recent IF: 1.333; 2008 IF: 1.483
	Call Number	UA @ lucian @ c:irua:70001			Serial	2177
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	Author	van Ham, R.; Adriaens, A.; van Vaeck, L.; Gijbels, R.; Adams, F.
	Title	Molecular information in static SIMS for the speciation of inorganic compounds			Type	A1 Journal article
	Year	2000	Publication	Nuclear instruments and methods in physics research: B: beam interactions with materials and atoms	Abbreviated Journal	Nucl Instrum Meth B
	Volume	161/163	Issue		Pages	245-249
	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	000086204100043	Publication Date	2003-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0168-583X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.109	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 1.109; 2000 IF: 0.955
	Call Number	UA @ lucian @ c:irua:27853			Serial	2178
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	Author	Nikolaev, A.V.; Verberck, B.; Ionova, G.V.
	Title	Molecular interaction energies and optimal configuration of a cubane dimer			Type	A1 Journal article
	Year	2010	Publication	International journal of quantum chemistry	Abbreviated Journal	Int J Quantum Chem
	Volume	110	Issue	5	Pages	1063-1069
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We have studied the dependence of the binding energy of a cubane dimer on the mutual orientation of and the distance between the composing monomers employing the second-order Møller-Plesset perturbation scheme (MP2) with the cc-pVDZ molecular basis set. We have found that the MP2 contribution from the molecular correlations is responsible for the bound state of the cubane dimer, whereas the Hartree-Fock contribution remains anti-bonding at all intermolecular distances. Starting with two molecules in the standard orientation and centers of mass at (0,0,0) and (0,0,d), respectively, the maximal binding energy is found at d = 5.125 Å and one of the monomers rotated by 45° about the z-axis. This configuration implies that the hydrogen atoms belonging to different monomers tend to repel each other. The results are in agreement with experimental data on the optimal packing of cubane molecules in the solid state.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000274720000011	Publication Date	2009-04-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-7608;1097-461X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.92	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 2.92; 2010 IF: 1.302
	Call Number	UA @ lucian @ c:irua:81944			Serial	2179
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	Author	Briers, J.; Eevers, W.; Cos, P.; Geise, H.J.; Mertens, R.; Nagels, P.; Zhang, X.B.; Van Tendeloo, G.; Herrebout, W.; van der Veken, B.
	Title	Molecular orientation and conductivity in highly oriented poly(p-phenylene vinylene)			Type	A1 Journal article
	Year	1994	Publication	Polymer	Abbreviated Journal	Polymer
	Volume	35	Issue		Pages	4569-4572
	Keywords	A1 Journal article; Molecular Spectroscopy (MolSpec); Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Guildford	Editor
	Language		Wos	A1994PM11600014	Publication Date	2003-06-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0032-3861;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.562	Times cited	16	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:8539			Serial	2180
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	Author	Verheyen, E.; Jo, C.; Kurttepeli, M.; Vanbutsele, G.; Gobechiya, E.; Korányi, T.I.; Bals, S.; Van Tendeloo, G.; Ryoo, R.; Kirschhock, C.E.A.; Martens, J.A.;
	Title	Molecular shape-selectivity of MFI zeolite nanosheets in n-decane isomerization and hydrocracking			Type	A1 Journal article
	Year	2013	Publication	Journal of catalysis	Abbreviated Journal	J Catal
	Volume	300	Issue		Pages	70-80
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	MFI zeolite nanosheets with thickness of 2 and 8 nm were synthesized, transformed into bifunctional catalysts by loading with platinum and tested in n-decane isomerization and hydrocracking. Detailed analysis of skeletal isomers and hydrocracked products revealed that the MFI nanosheets display transition-state shape-selectivity similar to bulk MFI zeolite crystals. The suppressed formation of bulky skeletal isomers and C5 cracking products are observed both in the nanosheets and the bulk crystals grown in three dimensions. This is typical for restricted transition-state shape-selectivity, characteristic for the MFI type pores. It is a first clear example of transition-state shape-selectivity inside a zeolitic nanosheet. Owing to the short diffusion path across the sheets, expression of diffusion-based discrimination of reaction products in the MFI nanosheets was limited. The 2-methylnonane formation among monobranched C10 isomers and 2,7-dimethyloctane among dibranched C10 isomers, which in MFI zeolite are favored by product diffusion, was much less favored on the nanosheets compared to the reference bulk ZSM-5 material.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	San Diego, Calif.	Editor
	Language		Wos	000317558000009	Publication Date	2013-02-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9517;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.844	Times cited	121	Open Access
	Notes	Methusalem; IAP; Countatoms			Approved	Most recent IF: 6.844; 2013 IF: 6.073
	Call Number	UA @ lucian @ c:irua:106186			Serial	2181
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	Author	de Clippel, F.; Harkiolakis, A.; Ke, X.; Vosch, T.; Van Tendeloo, G.; Baron, G.V.; Jacobs, P.A.; Denayer, J.F.M.; Sels, B.F.
	Title	Molecular sieve properties of mesoporous silica with intraporous nanocarbon			Type	A1 Journal article
	Year	2010	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	46	Issue	6	Pages	928-930
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Biporous carbonsilica materials (CSM) with molecular sieve properties and high sorption capacity were developed by synthesizing nano-sized carbon crystallites in the mesopores of Al-MCM-41.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000274070800024	Publication Date	2009-12-07
	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	21	Open Access
	Notes	Fwo; Iap			Approved	Most recent IF: 6.319; 2010 IF: 5.787
	Call Number	UA @ lucian @ c:irua:80994			Serial	2182
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	Author	Ignatova, V.A.; van Vaeck, L.; Gijbels, R.; Adams, F.
	Title	Molecular speciation of inorganic mixtures by Fourier transform laser microprobe mass sepctrometry			Type	A1 Journal article
	Year	2003	Publication	International journal of mass spectrometry	Abbreviated Journal	Int J Mass Spectrom
	Volume	225	Issue		Pages	213-224
	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	000181179500002	Publication Date	2003-02-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-3806;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.702	Times cited	9	Open Access
	Notes				Approved	Most recent IF: 1.702; 2003 IF: 2.361
	Call Number	UA @ lucian @ c:irua:41595			Serial	2183
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	Author	Munarin, F.F.; Ferreira, W.P.; Farias, G.A.; Peeters, F.M.
	Title	Molecular states of two vertically coupled systems of classical charged particles confined by a Coulomb potential			Type	A1 Journal article
	Year	2007	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	76	Issue		Pages	035336,1-8
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	000248500800111	Publication Date	2007-07-26
	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	3	Open Access
	Notes				Approved	Most recent IF: 3.836; 2007 IF: 3.172
	Call Number	UA @ lucian @ c:irua:69657			Serial	2184
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	Author	Michel, K.H.
	Title	Molecular structure and orientational ordering in solid C₆₀			Type	A1 Journal article
	Year	1992	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	97	Issue	7	Pages	5155-5162
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	A microscopic theory, which describes the orientational dynamics of C60 molecules in the face-centered cubic phase of C60-fullerite, is formulated or the case of a complex molecular structure. Interaction centers which comprise atoms, double bonds, and single bonds as molecular constituents contribute to the intermolecular potential. Orientation dependent physical properties are described in terms of symmetry-adapted rotator functions. It is found that a same set of rotator functions is sufficient even in the case of a complex molecular structure. Phase transition temperatures are discussed for various models of molecular structure.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	A1992JR33800062	Publication Date	2002-07-26
	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	20	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:2973			Serial	2185
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	Author	Lamoen, D.; Michel, K.H.
	Title	Molecular structure, crystal field and orientational order in solid C₆₀			Type	H1 Book chapter
	Year	1994	Publication		Abbreviated Journal
	Volume		Issue		Pages	183-202
	Keywords	H1 Book chapter; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	s.l.	Editor
	Language		Wos	A1994BE86T00011	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN	0-7923-3109-5	Additional Links	UA library record; WoS full record;
	Impact Factor		Times cited		Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:9355			Serial	2186
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	Author	Nikolaev, A.V.; Michel, K.H.
	Title	Molecular terms and optical transitions of C₆₀^n+/- molecular ions			Type	P1 Proceeding
	Year	2002	Publication	AIP conference proceedings T2 – 16th International Winterschool on Electronic Properties of Novel, Materials, MAR 02-09, 2002, KIRCHBERG, AUSTRIA	Abbreviated Journal
	Volume		Issue		Pages	417-420
	Keywords	P1 Proceeding; Condensed Matter Theory (CMT)
	Abstract	We have studied the molecular energy terms of the hole configurations (h(u)(+))(m), m=2,3,4,5 of C-60(m+) cations and the electronic configurations (t(1u))(n) n=2,3,4, as well as (t(1u))(n-1)t(1g) of the C-60(n-) anions. The lowest terms (within an energy span of 0.03 eV) for C-60(2+) are three triplets T-3(1g), (3)G(g), T-3(2g) and for C-60(3+) are three quartets T-4(1u), (4)G(u), T-4(2u), which favor Jahn-Teller distortions. For the ground state of C-60(2-) we find a triplet T-3(1g) in agreement with Hund's rules. Our method takes into account intramolecular direct and exchange multipolar Coulomb interactions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume	633	Series Issue		Edition
	ISSN	0-7354-0088-1	ISBN		Additional Links	UA library record; WoS full record;
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:103905			Serial	2187
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	Author	Partoens, B.; Peeters, F.M.
	Title	Molecule-type phases and Hund's rule in vertically coupled quantum dots			Type	A1 Journal article
	Year	2000	Publication	Physical review letters	Abbreviated Journal	Phys Rev Lett
	Volume	84	Issue		Pages	4433-4436
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000086941600045	Publication Date	2002-07-27
	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	99	Open Access
	Notes				Approved	Most recent IF: 8.462; 2000 IF: 6.462
	Call Number	UA @ lucian @ c:irua:28519			Serial	2188
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	Author	Hervieu, M.; Van Tendeloo, G.; Caignaert, V.; Maignan, A.; Raveau, B.
	Title	Monoclinic microdomains and clustering in the colossal magnetoresistance manganites Pr_0.7Ca_0.25Sr_0.05MnO₃ and Pr_0.75Sr_0.25MnO₃			Type	A1 Journal article
	Year	1996	Publication	Physical review : B : condensed matter and materials physics	Abbreviated Journal	Phys Rev B
	Volume	53	Issue	21	Pages	14274-14284
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lancaster, Pa	Editor
	Language		Wos	A1996UQ72600049	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1098-0121; 0163-1829	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.736	Times cited	75	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:16863			Serial	2190
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	Author	Trofimova, E.Y.; Kurdyukov, D.A.; Yakovlev, S.A.; Kirilenko, D.A.; Kukushkina, Y.A.; Nashchekin, A.V.; Sitnikova, A.A.; Yagovkina, M.A.; Golubev, V.G.
	Title	Monodisperse spherical mesoporous silica particles : fast synthesis procedure and fabrication of photonic-crystal films			Type	A1 Journal article
	Year	2013	Publication	Nanotechnology	Abbreviated Journal	Nanotechnology
	Volume	24	Issue	15	Pages	155601-155611
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	A procedure for the synthesis of monodisperse spherical mesoporous silica particles (MSMSPs) via the controlled coagulation of silica/surfactant clusters into spherical aggregates with mean diameters of 250-1500 nm has been developed. The synthesis is fast (taking less than 1 h) because identical clusters are simultaneously formed in the reaction mixture. The results of microscopic, x-ray diffraction, adsorption and optical measurements allowed us to conclude that the clusters are similar to 15 nm in size and have hexagonally packed cylindrical pore channels. The channel diameters in MSMSPs obtained with cethyltrimethylammonium bromide and decyltrimethylammonium bromide as structure-directing agents were 3.1 +/- 0.15 and 2.3 +/- 0.12 nm, respectively. The specific surface area and the pore volume of MSMSP were, depending on synthesis conditions, 480-1095 m(2) g(-1) and 0.50-0.65 cm(3) g(-1). The MSMSP were used to grow opal-like photonic-crystal films possessing a hierarchical macro-mesoporous structure, with pores within and between the particles. A selective filling of mesopore channels with glycerol, based on the difference between the capillary pressures in macro- and mesopores, was demonstrated. It is shown that this approach makes it possible to control the photonic bandgap position in mesoporous opal films by varying the degree of mesopore filling with glycerol. Online supplementary data available from stacks.iop.org/Nano/24/155601/mmedia
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Bristol	Editor
	Language		Wos	000316988700009	Publication Date	2013-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0957-4484;1361-6528;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.44	Times cited	49	Open Access
	Notes				Approved	Most recent IF: 3.44; 2013 IF: 3.672
	Call Number	UA @ lucian @ c:irua:108462			Serial	2191
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	Author	Tongay, S.; Sahin, H.; Ko, C.; Luce, A.; Fan, W.; Liu, K.; Zhou, J.; Huang, Y.S.; Ho, C.H.; Yan, J.; Ogletree, D.F.; Aloni, S.; Ji, J.; Li, S.; Li, J.; Peeters, F.M.; Wu, J.;
	Title	Monolayer behaviour in bulk ReS₂ due to electronic and vibrational decoupling			Type	A1 Journal article
	Year	2014	Publication	Nature communications	Abbreviated Journal	Nat Commun
	Volume	5	Issue		Pages	3252
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Semiconducting transition metal dichalcogenides consist of monolayers held together by weak forces where the layers are electronically and vibrationally coupled. Isolated monolayers show changes in electronic structure and lattice vibration energies, including a transition from indirect to direct bandgap. Here we present a new member of the family, rhenium disulphide (ReS2), where such variation is absent and bulk behaves as electronically and vibrationally decoupled monolayers stacked together. From bulk to monolayers, ReS2 remains direct bandgap and its Raman spectrum shows no dependence on the number of layers. Interlayer decoupling is further demonstrated by the insensitivity of the optical absorption and Raman spectrum to interlayer distance modulated by hydrostatic pressure. Theoretical calculations attribute the decoupling to Peierls distortion of the 1T structure of ReS2, which prevents ordered stacking and minimizes the interlayer overlap of wavefunctions. Such vanishing interlayer coupling enables probing of two-dimensional-like systems without the need for monolayers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000332666700010	Publication Date	2014-02-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-1723;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.124	Times cited	806	Open Access
	Notes	; This work was supported by the United States Department of Energy Early Career Award DE-FG02-11ER46796. The high pressure part of this work was supported by COMPRES, the Consortium for Materials Properties Research in Earth Sciences, under National Science Foundation Cooperative Agreement EAR 11-577758. The electron microscopy and nano-Auger measurements were supported by the user programme at the Molecular Foundry, which was supported by the Office of Science, Office of Basic Energy Sciences, of the United States Department of Energy under contract no. DE-AC02-05CH11231. S. A. gratefully acknowledges Dr Virginia Altoe of the Molecular Foundry for help with the TEM data acquisition and analysis. J.L. acknowledges support from the Natural Science Foundation of China for Distinguished Young Scholar (grant nos. 60925016 and 91233120). Y.-S.H. and C.-H. H. acknowledge support from the National Science Council of Taiwan under project nos. NSC 100-2112-M-011-001-MY3 and NSC 101-2221-E-011-052-MY3. H. S. was supported by the FWO Pegasus Marie Curie Long Fellowship programme. The DFT work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem programme of the Flemish government. Computational resources were partially provided by TUBITAK ULAKBIM, High Performance and Grid Computing Centre. ;			Approved	Most recent IF: 12.124; 2014 IF: 11.470
	Call Number	UA @ lucian @ c:irua:119247			Serial	2192
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	Author	Dideykin, A.; Aleksenskiy, A.E.; Kirilenko, D.; Brunkov, P.; Goncharov, V.; Baidakova, M.; Sakseev, D.; Vul', A.Y.
	Title	Monolayer graphene from graphite oxide			Type	A1 Journal article
	Year	2011	Publication	Diamond and related materials	Abbreviated Journal	Diam Relat Mater
	Volume	20	Issue	2	Pages	105-108
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Graphene, a new carbon material, is attracting presently an increasing research interest. It stems from the unique electrical and mechanical properties of graphene predicted by theory. Experimental studies of graphene are, however, severely curtailed by a lack of an appropriate technique for its preparation. Mechanical cleavage of graphite proved to be ineffective, since it yields only very small (a few microns in size) particles of monolayer graphene. The rapidly developing approach based on chemical exfoliation of graphite produces large-area coatings composed primarily of arbitrarily oriented multilayer graphene particles. We have developed a technique for preparation of monolayer graphene sheets involving liquid exfoliation of crystalline graphite, which includes synthesis of graphite oxide by deep oxidation as an intermediate stage. Electron diffraction traces, as well as the variation of diffracted intensities with local orientation of graphene sheets, AFM, and HRTEM images testify to a remarkably good monolayer structure of the graphite oxide particles obtained by our technique. These results open a way to setting up high-efficiency production of monolayer graphene sheets appropriate for electrical and optical measurements and fabrication of structures for use in the field of applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000288145500010	Publication Date	2010-10-31
	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	48	Open Access
	Notes				Approved	Most recent IF: 2.561; 2011 IF: 1.913
	Call Number	UA @ lucian @ c:irua:88791			Serial	2193
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	Author	Sen, H.S.; Sahin, H.; Peeters, F.M.; Durgun, E.
	Title	Monolayers of MoS2 as an oxidation protective nanocoating material			Type	A1 Journal article
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	116	Issue	8	Pages	083508
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	First-principle calculations are employed to investigate the interaction of oxygen with ideal and defective MoS2 monolayers. Our calculations show that while oxygen atoms are strongly bound on top of sulfur atoms, the oxygen molecule only weakly interacts with the surface. The penetration of oxygen atoms and molecules through a defect-free MoS2 monolayer is prevented by a very high diffusion barrier indicating that MoS2 can serve as a protective layer for oxidation. The analysis is extended to WS2 and similar coating characteristics are obtained. Our calculations indicate that ideal and continuous MoS2 and WS2 monolayers can improve the oxidation and corrosion-resistance of the covered surface and can be considered as an efficient nanocoating material. (C) 2014 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution 3.0 Unported License.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000342821600017	Publication Date	2014-08-27
	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	52	Open Access
	Notes	; This work was supported by the bilateral project between TUBITAK (through Grant No. 113T050) and Flemish Science Foundation (FWO-Vl). The calculations were performed at TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). E.D. acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. H.S. is supported by an FWO Pegasus-long Marie Curie Fellowship. ;			Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:121101			Serial	2194
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