NANOlab Center of Excellence literature database -- Query Results

	NANOlab Center of Excellence literature database Home \| Show All \| Simple Search \| Advanced Search	Login Quick Search: Field: contains: ...
	301–330 of 1474 records found matching your query (RSS \| history):

Select All Deselect All

<< 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 >>

List View

Citations

Details

	Records
	Author	Shenderova, O.A.; Vlasov, I.I.; Turner, S.; Van Tendeloo, G.; Orlinskii, S.B.; Shiryaev, A.A.; Khomich, A.A.; Sulyanov, S.N.; Jelezko, F.; Wrachtrup, J.
	Title	Nitrogen control in nanodiamond produced by detonation shock-wave-assisted synthesis			Type	A1 Journal article
	Year	2011	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	115	Issue	29	Pages	14014-14024
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Development of efficient production methods of nanodiamond (ND) particles containing substitutional nitrogen and nitrogen-vacancy (NV) complexes remains an important goal in the nanodiamond community. ND synthesized from explosives is generally not among the preferred candidates for imaging applications owing to lack of optically active particles containing NV centers. In this paper, we have systematically studied representative classes of NDs produced by detonation shock wave conversion of different carbon precursor materials, namely, graphite and a graphite/hexogen mixture into ND, as well as ND produced from different combinations of explosives using different cooling methods (wet or dry cooling). We demonstrate that (i) the N content in nanodiamond particles can be controlled through a correct selection of the carbon precursor material (addition of graphite, explosives composition); (ii) particles larger than approximately 20 nm may contain in situ produced optically active NV centers, and (iii) in ND produced from explosives, NV centers are detected only in ND produced by wet synthesis. ND synthesized from a mixture of graphite/explosive contains the largest amount of NV centers formed during synthesis and thus deserves special attention.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000292892500009	Publication Date	2011-06-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	54	Open Access
	Notes	Esteem 026019; Fwo			Approved	Most recent IF: 4.536; 2011 IF: 4.805
	Call Number	UA @ lucian @ c:irua:91259			Serial	2342
Permanent link to this record



	Author	Mai, H.H.; Kaydashev, V.E.; Tikhomirov, V.K.; Janssens, E.; Shestakov, M.V.; Meledina, M.; Turner, S.; Van Tendeloo, G.; Moshchalkov, V.V.; Lievens, P.
	Title	Nonlinear optical properties of Ag nanoclusters and nanoparticles dispersed in a glass host			Type	A1 Journal article
	Year	2014	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	118	Issue	29	Pages	15995-16002
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The nonlinear absorption of Ag atomic clusters and nanoparticles dispersed in a transparent oxyfluoride glass host has been studied. The as-prepared glass, containing 0.15 atom % Ag, shows an absorption band in the UV/violet attributed to the presence of amorphous Ag atomic nanoclusters with an average size of 1.2 nm. Upon heat treatment the Ag nanoclusters coalesce into larger nanoparticles that show a surface plasmon absorption band in the visible. Open aperture z-scan experiments using 480 nm nanosecond laser pulses demonstrated nonsaturated and saturated nonlinear absorption with large nonlinear absorption indices for the Ag nanoclusters and nanoparticles, respectively. These properties are promising, e.g., for applications in optical limiting and objects contrast enhancement.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000339540700049	Publication Date	2014-07-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	43	Open Access
	Notes	FWO; Methusalem; funding from the European Research Council under the seventh Framework Program (FP7); ERC Grant 246791 COUNTATOMS and the EC project IFOX.			Approved	Most recent IF: 4.536; 2014 IF: 4.772
	Call Number	UA @ lucian @ c:irua:118626			Serial	2353
Permanent link to this record



	Author	McCalla, E.; Abakumov, A.; Rousse, G.; Reynaud, M.; Sougrati, M.T.; Budic, B.; Mahmoud, A.; Dominko, R.; Van Tendeloo, G.; Hermann, R.P.; Tarascon, J.M.;
	Title	Novel complex stacking of fully-ordered transition metal layers in Li₄FeSbO₆ materials			Type	A1 Journal article
	Year	2015	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	27	Issue	27	Pages	1699-1708
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	As part of a broad project to explore Li4MM'O-6 materials (with M and M' being selected from a wide variety of metals) as positive electrode materials for Li-ion batteries, the structures of Li4FeSbO6 materials with both stoichiometric and slightly deficient lithium contents are studied here. For lithium content varying from 3.8 to 4.0, the color changes from yellow to black and extra superstructure peaks are seen in the XRD patterns. These extra peaks appear as satellites around the four superstructure peaks affected by the stacking of the transition metal atoms. Refinements of both XRD and neutron scattering patterns show a nearly perfect ordering of Li, Fe, and Sb in the transition metal layers of all samples, although these refinements must take the stacking faults into account in order to extract information about the structure of the TM layers. The structure of the most lithium rich sample, where the satellite superstructure peaks are seen, was determined with the help of HRTEM, XRD, and neutron scattering. The satellites arise due to a new stacking sequence where not all transition metal layers are identical but instead two slightly different compositions stack in an AABB sequence giving a unit cell that is four times larger than normal for such monoclinic layered materials. The more lithium deficient samples are found to contain metal site vacancies based on elemental analysis and Mossbauer spectroscopy results. The significant changes in physical properties are attributed to the presence of these vacancies. This study illustrates the great importance of carefully determining the final compositions in these materials, as very small differences in compositions may have large impacts on structures and properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000350919000032	Publication Date	2015-02-12
	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	22	Open Access
	Notes				Approved	Most recent IF: 9.466; 2015 IF: 8.354
	Call Number	c:irua:125469			Serial	2373
Permanent link to this record



	Author	Ionescu, R.; Espinosa, E.H.; Leghrib, R.; Felten, A.; Pireaux, J.-J.; Erni, R.; Van Tendeloo, G.; Bittencourt, C.; Canellas, N.; Llobet, E.
	Title	Novel hybrid materials for gas sensing applications made of metal-decorated MWCNTs dispersed on nano-particle metal oxides			Type	A1 Journal article
	Year	2008	Publication	Sensors and actuators : B : chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume	131	Issue	1	Pages	174-182
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000255426800026	Publication Date	2007-11-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.401	Times cited	47	Open Access
	Notes	Pai			Approved	Most recent IF: 5.401; 2008 IF: 3.122
	Call Number	UA @ lucian @ c:irua:68872			Serial	2377
Permanent link to this record



	Author	Pelloquin, D.; Hadermann, J.; Giot, M.; Caignaert, V.; Michel, C.; Hervieu, M.; Raveau, B.
	Title	Novel, oxygen-deficient n=3 RP-member Sr₃NdFe₃O_9-\delta and its topotactic derivatives			Type	A1 Journal article
	Year	2004	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	16	Issue		Pages	1715-1724
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000221345000019	Publication Date	2004-04-27
	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	24	Open Access
	Notes				Approved	Most recent IF: 9.466; 2004 IF: 4.103
	Call Number	UA @ lucian @ c:irua:47318			Serial	2381
Permanent link to this record



	Author	Neyts, E.C.; Bogaerts, A.
	Title	Numerical study of the size-dependent melting mechanisms of nickel nanoclusters			Type	A1 Journal article
	Year	2009	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	113	Issue	7	Pages	2771-2776
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Molecular dynamics simulations were used to investigate the size-dependent melting mechanism of nickel nanoclusters of various sizes. The melting process was monitored by the caloric curve, the overall cluster Lindemann index, and the atomic Lindemann index. Size-dependent melting temperatures were determined, and the correct linear dependence on inverse diameter was recovered. We found that the melting mechanism gradually changes from dynamic coexistence melting to surface melting with increasing cluster size. These findings are of importance in better understanding carbon nanotube growth by catalytic chemical vapor deposition as the phase state of the catalyst nanoparticle codetermines the growth mechanism.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited		Open Access
	Notes				Approved	Most recent IF: 4.536; 2009 IF: 4.224
	Call Number	UA @ lucian @ c:irua:76495			Serial	2410
Permanent link to this record



	Author	Yin, S.; Tian, H.; Ren, Z.; Wei, X.; Chao, C.; Pei, J.; Li, X.; Xu, G.; Shen, G.; Han, G.
	Title	Octahedral-shaped perovskite nanocrystals and their visible-light photocatalytic activity			Type	A1 Journal article
	Year	2014	Publication	Chemical communications	Abbreviated Journal	Chem Commun
	Volume	50	Issue	45	Pages	6027-6030
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Octahedral-shaped perovskite PbTiO3 nanocrystals (PT OCT) with well-defined {111} facets exposed have been successfully synthesized via a facile hydrothermal method by using LiNO3 as an ion surfactant. The Li-O bond on the surface of PT OCT nanocrystals is essential to the stability of such nanocrystals and also results in a dramatic high visible-light photocatalytic activity.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000335984700022	Publication Date	2014-04-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1359-7345;1364-548X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.319	Times cited	19	Open Access
	Notes				Approved	Most recent IF: 6.319; 2014 IF: 6.834
	Call Number	UA @ lucian @ c:irua:117690			Serial	2428
Permanent link to this record



	Author	Gélard, J.; Jehanathan, N.; Roussel, H.; Gariglio, S.; Lebedev, O.I.; Van Tendeloo, G.; Dubourdieu, C.
	Title	Off-stoichiometry effects on the crystalline and defect structure of hexagonal manganite REMnO₃ films (RE = Y, Er, Dy)			Type	A1 Journal article
	Year	2011	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	23	Issue	5	Pages	1232-1238
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crystalline and defect structure of epitaxial hexagonal RExMnyO3 (RE = Er, Dy) films with varying cationic composition was investigated by X-ray diffraction and transmission electron microscopy. The films are composed of a strained layer at the interface with the substrate and of a relaxed layer on top of it. The critical thickness is of 10 to 25 nm. For Mn-rich films (or RE deficient), an off-stoichiometric composition maintaining the hexagonal LuMnO3-type structure is stabilized over a large range of the RE/Mn ratio (0.72−1.00), with no Mn-rich secondary phases observed. A linear dependence of the out-of-plane lattice parameter with RE/Mn is observed in this range. Out-of-phase boundary (OPB) extended defects are observed in all films and exhibit a local change in stoichiometry. Such a large solubility limit in the RE deficient region points toward the formation of vacancies on the RE site (RExMnO3−δ, with 0.72 ≤ x < 1), a phenomenon that is encountered in perovskite manganites such as LaxMnO3−δ (x < 1) and that may strongly impact the physical properties of hexagonal manganites.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000287767200022	Publication Date	2011-02-03
	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	17	Open Access
	Notes				Approved	Most recent IF: 9.466; 2011 IF: 7.286
	Call Number	UA @ lucian @ c:irua:88649			Serial	2430
Permanent link to this record



	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	On the effect of centrifugal stretching on the rotational partition function of an asymmetric top			Type	A1 Journal article
	Year	1991	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	95	Issue		Pages	8374-8389
	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	A1991GR66500062	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	12	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:716			Serial	2434
Permanent link to this record



	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	On the heat formation of C₈ and higher carbon clusters (letter to the editor)			Type	A1 Journal article
	Year	1991	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	95	Issue		Pages	9420-9421
	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	A1991GV82500076	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	27	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:719			Serial	2437
Permanent link to this record



	Author	Shariat, M.; Shokri, B.; Neyts, E.C.
	Title	On the low-temperature growth mechanism of single walled carbon nanotubes in plasma enhanced chemical vapor deposition			Type	A1 Journal article
	Year	2013	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	590	Issue		Pages	131-135
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Despite significant progress in single walled carbon nanotube (SWCNT) production by plasma enhanced chemical vapor deposition (PECVD), the growth mechanism in this method is not clearly understood. We employ reactive molecular dynamics simulations to investigate how plasma-based deposition allows growth at low temperature. We first investigate the SWCNT growth mechanism at low and high temperatures under conditions similar to thermal CVD and PECVD. We then show how ion bombardment during the nucleation stage increases the carbon solubility in the catalyst at low temperature. Finally, we demonstrate how moderate energy ions sputter amorphous carbon allowing for SWCNT growth at 500 K. (C) 2013 Elsevier B. V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000327721000024	Publication Date	2013-10-27
	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	14	Open Access
	Notes				Approved	Most recent IF: 1.815; 2013 IF: 1.991
	Call Number	UA @ lucian @ c:irua:112775			Serial	2439
Permanent link to this record



	Author	Proost, J.; Blaffart, F.; Turner, S.; Idrissi, H.
	Title	On the Origin of Damped Electrochemical Oscillations at Silicon Anodes (Revisited)			Type	A1 Journal article
	Year	2014	Publication	ChemPhysChem : a European journal of chemical physics and physical chemistry	Abbreviated Journal	Chemphyschem
	Volume	15	Issue	14	Pages	3116-3124
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Electrochemical oscillations accompanying the formation of anodic silica have been shown in the past to be correlated with rather abrupt changes in the mechanical stress state of the silica film, commonly associated with some kind of fracture or porosification of the oxide. To advance the understanding on the origin of such oscillations in fluoride-free electrolytes, we have revisited a seminal experiment reported by Lehmann almost two decades ago. We thereby demonstrate that the oscillations are not stress-induced, and do not originate from a morphological transformation of the oxide in the course of anodisation. Alternatively, the mechanical features accompanying the oscillations can be explained by a partial relaxation of the field-induced electrostrictive stress. Furthermore, our observations suggest that the oscillation mechanism more likely results from a periodic depolarisation of the anodic silica.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000342770500029	Publication Date	2014-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1439-4235;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.075	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 3.075; 2014 IF: 3.419
	Call Number	UA @ lucian @ c:irua:121086			Serial	2444
Permanent link to this record



	Author	Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	On the quasi-random entropy of linear species			Type	A1 Journal article
	Year	1993	Publication	Theochem: applications of theoretical chemistry to organic, inorganic and biological problems	Abbreviated Journal
	Volume	99	Issue		Pages	83-87
	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	A1993KU09200010	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0166-1280	ISBN		Additional Links	UA library record; WoS full record;
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:6147			Serial	2448
Permanent link to this record



	Author	Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	On the relative stabilities of the linear and triangular forms of B₃N			Type	A1 Journal article
	Year	1993	Publication	Chemical physics	Abbreviated Journal	Chem Phys
	Volume	178	Issue		Pages	77-82
	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	A1993MP94200006	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0301-0104;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.652	Times cited	9	Open Access
	Notes				Approved	CHEMISTRY, MULTIDISCIPLINARY 65/163 Q2 # CRYSTALLOGRAPHY 10/26 Q2 #
	Call Number	UA @ lucian @ c:irua:6150			Serial	2453
Permanent link to this record



	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	On the structure, stability and infrared spectrum of B₂N, B₂N⁺, B₂N^-, BO, B₂O and B₂N₂			Type	A1 Journal article
	Year	1992	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	193	Issue	4	Pages	243-250
	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	A1992HZ32800007	Publication Date	2002-07-25
	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	1.897	Times cited	42	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:4194			Serial	2455
Permanent link to this record



	Author	Kirschhock, C.E.A.; Liang, D.; Aerts, A.; Aerts, C.A.; Kremer, S.P.B.; Jacobs, P.A.; Van Tendeloo, G.; Martens, J.A.
	Title	On the TEM and AFM evidence of zeosil nanoslabs present during the synthesis of silicalite-1 : reply			Type	L1 Letter to the editor
	Year	2004	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	43	Issue	35	Pages	4562-4564
	Keywords	L1 Letter to the editor; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000224008400003	Publication Date	2004-08-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851;1521-3773;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited		Open Access
	Notes	Fwo; Iap-Pai			Approved	Most recent IF: 11.994; 2004 IF: 9.161
	Call Number	UA @ lucian @ c:irua:103253			Serial	2457
Permanent link to this record



	Author	Khalilov, U.; Pourtois, G.; van Duin, A.C.T.; Neyts, E.C.
	Title	On the c-Si\mid a-SiO₂ interface in hyperthermal Si oxidation at room temperature			Type	A1 Journal article
	Year	2012	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	116	Issue	41	Pages	21856-21863
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The exact structure and properties of the Si vertical bar SiO2 interface are very important in microelectronics and photovoltaic devices such as metal-oxide-semiconductor field-effect transistors (MOSFETs) and solar cells. Whereas Si vertical bar SiO2 structures are traditionally produced by thermal oxidation, hyperthermal oxidation shows a number of promising advantages. However, the Si vertical bar SiO2 interface induced in hyperthermal Si oxidation has not been properly investigated yet. Therefore, in this work, the interface morphology and interfacial stresses during hyperthermal oxidation at room temperature are studied using reactive molecular dynamics simulations based on the ReaxFF potential. Interface thickness and roughness, as well as the bond length and bond angle distributions in the interface are discussed and compared with other models developed for the interfaces induced by traditional thermal oxidation. The formation of a compressive stress is observed. This compressive stress, which at the interface amounts about 2 GPa, significantly slows down the inward silica growth. This value is close to the experimental value in the Si vertical bar SiO2 interface obtained in traditional thermal oxidation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000309902100026	Publication Date	2012-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	27	Open Access
	Notes				Approved	Most recent IF: 4.536; 2012 IF: 4.814
	Call Number	UA @ lucian @ c:irua:102167			Serial	2458
Permanent link to this record



	Author	Bal, K.M.; Neyts, E.C.
	Title	On the time scale associated with Monte Carlo simulations			Type	A1 Journal article
	Year	2014	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	141	Issue	20	Pages	204104
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Uniform-acceptance force-bias Monte Carlo (fbMC) methods have been shown to be a powerful technique to access longer timescales in atomistic simulations allowing, for example, phase transitions and growth. Recently, a new fbMC method, the time-stamped force-bias Monte Carlo (tfMC) method, was derived with inclusion of an estimated effective timescale; this timescale, however, does not seem able to explain some of the successes the method. In this contribution, we therefore explicitly quantify the effective timescale tfMC is able to access for a variety of systems, namely a simple single-particle, one-dimensional model system, the Lennard-Jones liquid, an adatom on the Cu(100) surface, a silicon crystal with point defects and a highly defected graphene sheet, in order to gain new insights into the mechanisms by which tfMC operates. It is found that considerable boosts, up to three orders of magnitude compared to molecular dynamics, can be achieved for solid state systems by lowering of the apparent activation barrier of occurring processes, while not requiring any system-specific input or modifications of the method. We furthermore address the pitfalls of using the method as a replacement or complement of molecular dynamics simulations, its ability to explicitly describe correct dynamics and reaction mechanisms, and the association of timescales to MC simulations in general.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000345641400005	Publication Date	2014-11-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606;1089-7690;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.965	Times cited	26	Open Access
	Notes				Approved	Most recent IF: 2.965; 2014 IF: 2.952
	Call Number	UA @ lucian @ c:irua:120667			Serial	2459
Permanent link to this record



	Author	Lindner, H.; Autrique, D.; Garcia, C.C.; Niemax, K.; Bogaerts, A.
	Title	Optimized transport setup for high repetition rate pulse-separated analysis in laser ablation-inductively coupled plasma mass spectrometry			Type	A1 Journal article
	Year	2009	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
	Volume	81	Issue	11	Pages	4241-4248
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	An optimized laser ablation setup, proposed for high repetition rate inductively coupled plasma mass spectrometry (ICPMS) analyses such as 2D imaging or depth profiling, is presented. For such applications, the particle washout time needs to be as short as possible to allow high laser pulse frequencies for reduced analysis time. Therefore, it is desirable to have an ablation setup that operates as a laminar flow reactor (LFR). A top-down strategy was applied that resulted in the present design. In the first step, a previously applied ablation setup was analyzed on the basis of computational fluid dynamics (CFD) results presented by D. Autrique et al. (Spectrochim. Acta, B 2008, 63, 257−270). By means of CFD simulations, the design was modified in such a way that it operated in the LFR regime. Experimental results demonstrate that the current design can indeed be regarded as an LFR. Furthermore, the operation under LFR conditions allowed some insight into the initial radial concentration distribution if the experimental ICPMS signal and analytical expressions are taken into account. Recommendations for a modified setup for more resilient spatial distributions are given. With the present setup, a washout time of 140 ms has been achieved for a 3% signal area criterion. Therefore, 7 Hz repetition rates can be applied with the present setup. Using elementary formulas of the analytical model, an upper bound for the washout times for similar setups can be predicted. The authors believe that the presented setup geometry comes close to the achievable limit for reliable short washout times.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000266601800014	Publication Date	2009-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2700;1520-6882;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.32	Times cited	18	Open Access
	Notes				Approved	Most recent IF: 6.32; 2009 IF: 5.214
	Call Number	UA @ lucian @ c:irua:76935			Serial	2492
Permanent link to this record



	Author	Krekels, T.; Milat, O.; Van Tendeloo, G.; Amelinckx, S.; Babu, T.G.N.; Wright, A.J.; Greaves, C.
	Title	Order and disorder in (Nd,Ce)_nO_2nSr₂GaCu₂O₅ and YSr₂CoCu₂O₇			Type	A1 Journal article
	Year	1993	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	105	Issue	2	Pages	313-335
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1993LT32700002	Publication Date	2002-10-07
	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	50	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:102965			Serial	2499
Permanent link to this record



	Author	Verberck, B.; Okazaki, T.; Tarakina, N.V.
	Title	Ordered and disordered packing of coronene molecules in carbon nanotubes			Type	A1 Journal article
	Year	2013	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	15	Issue	41	Pages	18108-18114
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Monte Carlo simulations of coronene molecules in single-walled carbon nanotubes (SWCNTs) and dicoronylene molecules in SWCNTs are performed. Depending on the diameter D of the encapsulating SWCNT, regimes favoring the formation of ordered, one-dimensional (1D) stacks of tilted molecules (D <= 1.7 nm for coronene@SWCNT, 1.5 nm <= D <= 1.7 nm for dicoronylene@SWCNT) and regimes with disordered molecular arrangements and increased translational mobilities enabling the thermally induced polymerization of neighboring molecules resulting in the formation of graphene nanoribbons (GNRs) are observed. The results show that the diameter of the encapsulating nanotube is a crucial parameter for the controlled synthesis of either highly ordered 1D structures or GNR precursors.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000325400600045	Publication Date	2013-09-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	9	Open Access
	Notes	; B.V. is a Postdoctoral Fellow of the Research Foundation Flanders (FWO-VI). N.V.T. acknowledges funding by the Bavarian Ministry of Sciences, Research and the Arts. ;			Approved	Most recent IF: 4.123; 2013 IF: 4.198
	Call Number	UA @ lucian @ c:irua:112212			Serial	2502
Permanent link to this record



	Author	Kirschhock, C.E.A.; Liang, D.; Van Tendeloo, G.; Fécant, A.; Hastoye, G.; Vanbutsele, G.; Bats, N.; Guillon, E.; Martens, J.A.
	Title	Ordered end-member of ZSM-48 zeolite family			Type	A1 Journal article
	Year	2009	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	21	Issue	2	Pages	371-380
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	ZSM-48 and related zeolites are considered to be highly disordered structures. Different polytypes can be clearly distinguished by simulation of high-resolution electron microscopy images. Synthesis of phase-pure polytypes was attempted. One of the investigated samples crystallized via seeding designated as COK-8 consisted of nanoscopic, needlelike crystals with a very large length/width ratio, growing along the pore direction. These specimens are phase-pure polytype 6 (PT6, numbering according to Lobo and van Koningsveld). Aggregates of these nanoneedles occasionally contained a second polytype: PT1. The latter polytype occurred more abundantly in larger crystal rods in an IZM-1 sample crystallized in ethylene glycol. Here too, the isolated crystallites mainly consist of large, defect-free regions of PT6. A simulation of polytype lattice energies offers a rational explanation for the observed polytypical intergrowth formation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000262605200026	Publication Date	2008-12-30
	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	30	Open Access
	Notes	Fwo; Goa			Approved	Most recent IF: 9.466; 2009 IF: 5.368
	Call Number	UA @ lucian @ c:irua:76032			Serial	2503
Permanent link to this record



	Author	Abakumov, A.M.; Alekseeva, A.M.; Rozova, M.G.; Antipov, E.V.; Lebedev, O.I.; Van Tendeloo, G.
	Title	Ordering of tetrahedral chains in the Sr₂MnGaO₅ brownmillerite			Type	A1 Journal article
	Year	2003	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	174	Issue	2	Pages	319-328
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Tetrahedral chain ordering in the Sr2MnGaO5 structure is studied using electron diffraction (ED) and high-resolution electron microscopy. The ED patterns show the presence of satellite reflections, which indicate a commensurately modulated structure with a = 5.4056(8) Angstrom b 16.171(3) Angstrom, c = 5.5592(7) Angstrom, q – 1/2c*, superspace group Immma(00gamma,)s00. The Superstructure arises due to ordering of the two types of symmetry related tetrahedral chains (L and R) according to a ... LRLR ... sequence, where L and R chains alternate along the c-axis within the same (GaO) layer. Numerous defects at different structural levels were observed, comprising interleaving L and R chains, violation of the ... LRLR ... chain sequence within one layer, different stacking modes of the ... LRLR ... ordered layers with subsequent alternation of blocks of different width along the h-axis of the brownmillerite subcell and island fragmentation of the modulated superstructure. By in situ heating ED experiments it is found that the long-range ordering of the tetrahedral chains is stable tip to 665degreesC and is completely suppressed at 905degreesC. (C) 2003 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000185180500011	Publication Date	2003-07-22
	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	34	Open Access
	Notes				Approved	Most recent IF: 2.299; 2003 IF: 1.413
	Call Number	UA @ lucian @ c:irua:94846			Serial	2506
Permanent link to this record



	Author	Panin, R.V.; Khasanova, N.R.; Bougerol, C.; Schnelle, W.; Van Tendeloo, G.; Antipov, E.V.
	Title	Ordering of Pd²⁺ and Pd⁴⁺ in the mixed-valent palladate KPd₂O₃			Type	A1 Journal article
	Year	2010	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	49	Issue	4	Pages	1295-1297
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A new potassium palladate KPd2O3 was synthesized by the reaction of KO2 and PdO at elevated oxygen pressure. Its crystal structure was solved from powder X-ray diffraction data in the space group Rm (a = 6.0730(1) Å, c = 18.7770(7) Å, and Z = 6). KPd2O3 represents a new structure type, consisting of an alternating sequence of K+ and Pd2O3− layers with ordered Pd2+ and Pd4+ ions. The presence of palladium ions in di- and tetravalent low-spin states was confirmed by magnetic susceptibility measurements.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000274240700009	Publication Date	2010-01-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	9	Open Access
	Notes	Iap Iv			Approved	Most recent IF: 4.857; 2010 IF: 4.326
	Call Number	UA @ lucian @ c:irua:80990			Serial	2507
Permanent link to this record



	Author	Van Tendeloo, G.; Hervieu, M.; Zhang, X.F.; Raveau, B.
	Title	Ordering principles and defect structure of “1201”, “1212”, and “1222” type (Hg,Pr)-Sr-(Sr,Ca,Pr)-Cu-O superconductors			Type	A1 Journal article
	Year	1995	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	114	Issue	2	Pages	369-378
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The new families of superconducting compounds ''1201'' (Hg0.4Pr0.6Sr2CuO4+delta), ''1212'' (Hg0.4Pr0.6Sr2(Ca1-x-ySrxPry) Cu2O6+delta), and ''1222'' (Hg0.4Pr0.6Sr2(Pr1.7Sr0.3)(2)Cu2O8+delta) all show ordering between praseodymium and mercury in the (Hg,Pr)O-delta plane, reducing the symmetry from tetragonal to orthorhombic or even to monoclinic. In the 1201 compound the ordered superstructure can be described as O-I (a(I) approximate to 2a(p), b(I), approximate to a(p), c(I) approximate to c(1201)). In the 1212 compound two distinct superstructures are identified, O-I (a(I) approximate to 2a(p), b(II) approximate to a(p), c(I) approximate to c(1212)) and O-II (a(II) approximate to 2a(p), b(II) approximate to a(p), c(II) approximate to 2c(1212)). In some compounds, such as Hg0.4Pr0.6Sr2(Ca0.4Sr0.4Pr0.2) Cu2O6+delta, the Hg-Pr ordering is only present in microdomains, but due to an ordering between Sr layers and Ca layers, the c-axis doubles and one obtains a tetragonal superstructure T-III (a(III) approximate to a(p), c(III) approximate to 2c(1212)). In the 1222 compound, ordering in the (Pr,Hg)O-delta plane is very defective; a large number of translation defects actually reduce the symmetry to triclinic. (C) 1995 Academic Press, Inc.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1995QH33100011	Publication Date	2002-10-07
	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	11	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:13308			Serial	2508
Permanent link to this record



	Author	Adriaensen, L.; Vangaever, F.; Gijbels, R.
	Title	Organische TOF-S-SIMS: gebruik van opgedampt Ag en Au voor de verhoging van secundaire ionenintensiteiten			Type	A2 Journal article
	Year	2004	Publication	Chemie magazine	Abbreviated Journal
	Volume		Issue		Pages	10-12
	Keywords	A2 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Gent	Editor
	Language		Wos		Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0379-7651	ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:51979			Serial	2511
Permanent link to this record



	Author	Verberck, B.; Vliegenthart, G.A.; Gompper, G.
	Title	Orientational ordering in solid C₆₀ fullerene-cubane			Type	A1 Journal article
	Year	2009	Publication	The journal of chemical physics	Abbreviated Journal	J Chem Phys
	Volume	130	Issue	15	Pages	154510,1-154510,14
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study the structure and phase behavior of fullerene-cubane C60·C8H8 by Monte Carlo simulation. Using a simple potential model capturing the icosahedral and cubic symmetries of its molecular constituents, we reproduce the experimentally observed phase transition from a cubic to an orthorhombic crystal lattice and the accompanying rotational freezing of the C60 molecules. We elaborate a scheme to identify the low-temperature orientations of individual molecules and to detect a pattern of orientational ordering similar to the arrangement of C60 molecules in solid C60. Our configuration of orientations supports a doubled periodicity along one of the crystal axes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000265486300036	Publication Date	2009-04-22
	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	2.965	Times cited	8	Open Access
	Notes				Approved	Most recent IF: 2.965; 2009 IF: 3.093
	Call Number	UA @ lucian @ c:irua:77258			Serial	2519
Permanent link to this record



	Author	Amini, M.N.; Dixit, H.; Saniz, R.; Lamoen, D.; Partoens, B.
	Title	The origin of p-type conductivity in ZnM₂O₄ (M = Co, Rh, Ir) spinels			Type	A1 Journal article
	Year	2014	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	16	Issue	6	Pages	2588-2596
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	ZnM2O4 (M = Co, Rh, Ir) spinels are considered as a class of potential p-type transparent conducting oxides (TCOs). We report the formation energy of acceptor-like defects using first principles calculations with an advanced hybrid exchange-correlation functional (HSE06) within density functional theory (DFT). Due to the discrepancies between the theoretically obtained band gaps with this hybrid functional and the – scattered – experimental results, we also perform GW calculations to support the validity of the description of these spinels with the HSE06 functional. The considered defects are the cation vacancy and antisite defects, which are supposed to be the leading source of disorder in the spinel structures. We also discuss the band alignments in these spinels. The calculated formation energies indicate that the antisite defects ZnM (Zn replacing M, M = Co, Rh, Ir) and VZn act as shallow acceptors in ZnCo2O4, ZnRh2O4 and ZnIr2O4, which explains the experimentally observed p-type conductivity in those systems. Moreover, our systematic study indicates that the ZnIr antisite defect has the lowest formation energy in the group and it corroborates the highest p-type conductivity reported for ZnIr2O4 among the group of ZnM2O4 spinels. To gain further insight into factors affecting the p-type conductivity, we have also investigated the formation of localized small polarons by calculating the self-trapping energy of the holes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000329926700040	Publication Date	2013-12-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9076;1463-9084;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.123	Times cited	47	Open Access
	Notes	Fwo; Goa; Hercules			Approved	Most recent IF: 4.123; 2014 IF: 4.493
	Call Number	UA @ lucian @ c:irua:114829			Serial	2525
Permanent link to this record



	Author	Abakumov, A.M.; Hadermann, J.; Tsirlin, A.A.; Tan, H.; Verbeeck, J.; Zhang, H.; Dikarev, E.V.; Shpanchenko, R.V.; Antipov, E.V.
	Title	Original close-packed structure and magnetic properties of the Pb₄Mn₉O₂₀ manganite			Type	A1 Journal article
	Year	2009	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	182	Issue	8	Pages	2231-2238
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crystal structure of the Pb4Mn9O20 compound (previously known as Pb0.43MnO2.18) was solved from powder X-ray diffraction, electron diffraction, and high resolution electron microscopy data (S.G. Pnma, a=13.8888(2) Å, b=11.2665(2) Å, c=9.9867(1) Å, RI=0.016, RP=0.047). The structure is based on a 6H (cch)2 close packing of pure oxygen h-type (O16) layers alternating with mixed c-type (Pb4O12) layers. The Mn atoms occupy octahedral interstices formed by the oxygen atoms of the close-packed layers. The MnO6 octahedra share edges within the layers, whereas the octahedra in neighboring layers are linked through corner sharing. The relationship with the closely related Pb3Mn7O15 structure is discussed. Magnetization measurements reveal a peculiar magnetic behavior with a phase transition at 52 K, a small net magnetization below the transition temperature, and a tendency towards spin freezing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000269066400035	Publication Date	2009-06-12
	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	The authors are grateful to Christoph Geibel for the help in magnetization measurements. A.Ts. acknowledges MPI CKS for hospitality and financial support during the stay. E.D. thanks the National Science Foundation (CHE-0718900) for financial support. This work was supported by the Russian Foundation of Basic Research (RFBR Grants 07-03-00664-a, 06-03-90168-a and 07-03-00890-a). The authors acknowledge financial support from the European Union under the Framework 6 program under a contract for an Integrated Infrastructure Initiative. Reference 026019 ESTEEM.			Approved	Most recent IF: 2.299; 2009 IF: 2.340
	Call Number	UA @ lucian @ c:irua:78935UA @ admin @ c:irua:78935			Serial	2529
Permanent link to this record



	Author	De Bie, C.; van Dijk, J.; Bogaerts, A.
	Title	The Dominant Pathways for the Conversion of Methane into Oxygenates and Syngas in an Atmospheric Pressure Dielectric Barrier Discharge			Type	A1 Journal article
	Year	2015	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
	Volume	119	Issue	119	Pages	22331-22350
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A one-dimensional fluid model for a dielectric barrier discharge in CH4/O2 and CH4/CO2 gas mixtures is developed. The model describes the gas-phase chemistry for partial oxidation and for dry reforming of methane. The spatially averaged densities of the various plasma species are presented as a function of time and initial gas mixing ratio. Besides, the conversion of the inlet gases and the selectivities of the reaction products are calculated. Syngas, higher hydrocarbons, and higher oxygenates are typically found to be important reaction products. Furthermore, the main underlying reaction pathways for the formation of syngas, methanol, formaldehyde, and other higher oxygenates are determined.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000362385700010	Publication Date	2015-09-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.536	Times cited	46	Open Access
	Notes	This work was carried out using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI), and the Universiteit Antwerpen. The authors also acknowledge financial support from the IAP/7 (Interuniversity Attraction Pole) program “PSI-Physical Chemistry of Plasma- Surface Interactions” by the Belgian Federal Office for Science Policy (BELSPO) and from the Fund for Scientific Research Flanders (FWO).			Approved	Most recent IF: 4.536; 2015 IF: 4.772
	Call Number	c:irua:128774			Serial	3960
Permanent link to this record