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	Author	Cai, Z.L.; Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	Ab initio study of the X²\Sigma⁺ and A ²\Pi states of the SiN radical			Type	A1 Journal article
	Year	1996	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	252	Issue	5/6	Pages	398-404
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The equilibrium bond length, harmonic frequency, first and second order anharmonicity constants, rotational and centrifugal distortion constants, as well as the rotation-vibrational and centrifugal coupling constants for the ground X(2) Sigma(+) and first excited A(2) Pi states of the SiN radical have been calculated at the complete active space SCF (CASSCF), multireference CI (MRCI) and coupled cluster (CCSD(T)) levels using Dunning's correlation-consistent basis sets. The excitation energy of the A(2) Pi State has also been computed at these theoretical levels. Dipole moments of SiN in the X(2) Sigma(+) and A(2) Pi states are given. Our study shows that core correlation must be considered in order to obtain satisfactory accuracy for the spectroscopic constants.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1996UJ45000017	Publication Date	2003-05-12
	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	28	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:12328			Serial	40
Permanent link to this record



	Author	de Mondt, R.; Adriaensen, L.; Vangaever, F.; Lenaerts, J.; van Vaeck, L.; Gijbels, R.
	Title	Empirical evaluation of metal deposition for the analysis of organic compounds with static secondary ion mass spectrometry (S-SIMS)			Type	A1 Journal article
	Year	2006	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	252	Issue	19	Pages	6652-6655
	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	000240609900063	Publication Date	2006-05-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	9	Open Access
	Notes				Approved	Most recent IF: 3.387; 2006 IF: 1.436
	Call Number	UA @ lucian @ c:irua:58812			Serial	1034
Permanent link to this record



	Author	Adriaensen, L.; Vangaever, F.; Lenaerts, J.; Gijbels, R.
	Title	S-SIMS and MetA-SIMS study of organic additives in thin polymer coatings			Type	A1 Journal article
	Year	2006	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	252	Issue	19	Pages	6628-6631
	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	000240609900057	Publication Date	2006-06-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	3	Open Access
	Notes				Approved	Most recent IF: 3.387; 2006 IF: 1.436
	Call Number	UA @ lucian @ c:irua:60083			Serial	2937
Permanent link to this record



	Author	van der Linden, V.; Bultinck, E.; de Ruytter, J.; Schalm, O.; Janssens, K.; Devos, W.; Tiri, W.
	Title	Compositional analysis of 17-18th century archaeological glass fragments, excavated in Mechelen, Belgium: comparison with data from neighboring cities in the Low Countries			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	239	Issue	1/2	Pages	100-106
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000233514700013	Publication Date	2005-08-19
	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	15	Open Access
	Notes				Approved	Most recent IF: 1.109; 2005 IF: 1.181
	Call Number	UA @ lucian @ c:irua:56068			Serial	444
Permanent link to this record



	Author	Martin, J.M.L.; El-Yazal, J.; François, J.P.; Gijbels, R.
	Title	Structures and thermochemistry of B₃N₃ and B₄N₄			Type	A1 Journal article
	Year	1995	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	232	Issue		Pages	289-294
	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	A1995QC33700018	Publication Date	2002-07-26
	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	35	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:12278			Serial	3320
Permanent link to this record



	Author	Adriaensen, L.; Vangaever, F.; Gijbels, R.
	Title	A comparative study of carbocyanine dyes measured with TOF-SIMS and other mass spectrometric techniques			Type	A1 Journal article
	Year	2004	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	231/232	Issue		Pages	348-352
	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	000222427700067	Publication Date	2004-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 3.387; 2004 IF: 1.497
	Call Number	UA @ lucian @ c:irua:46802			Serial	420
Permanent link to this record



	Author	Ignatova, V.A.; Conard, T.; Möller, W.; Vandervorst, W.; Gijbels, R.
	Title	Depth profiling of ZrO₂/SiO₂/Si stacks : a TOF-SIMS and computer simulation study			Type	A1 Journal article
	Year	2004	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	231/232	Issue		Pages	603-608
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	This study is dedicated to a better understanding of the processes occurring under ion bombardment of ultra-thin ZrO2/SiO2/Si gate dielectric stacks. Complex-shaped depth profiles were obtained by using TOF-SIMS with dual beam (500 eV for sputtering and 10 keV for analysis) Ar+ ions. The SIMS intensities of all the elements depend critically on the amount of oxygen at any moment of the sputtering process. Increased intensity is observed at the surface and at the ZrO2/SiO2 interface. A long tail of the Zr signal is present in the Si substrate, even after the second (SiO2/Si) interface, and a double bump structure in the Zr-90 and ZrO dimer is observed, which is more pronounced with increasing thickness of the interfacial SiO2 layer. Computer simulations using the dynamic Monte Carlo code (TRIDYN) are performed in order to distinguish the ion bombardment-induced effects from changes in the ionization degree. The original code is extended with simple models for the ionization mechanism and for the molecular yield during sputtering. Oxygen preferential sputtering at the surface and ballistic transport of Zr towards and through the interface are clearly demonstrated, but there is also evidence that due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. (C) 2004 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000222427700118	Publication Date	2004-05-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	4	Open Access
	Notes				Approved	Most recent IF: 3.387; 2004 IF: 1.497
	Call Number	UA @ lucian @ c:irua:51976			Serial	651
Permanent link to this record



	Author	Adriaensen, L.; Vangaever, F.; Gijbels, R.
	Title	Organic SIMS: the influence of time on the ion yield enhancement by silver and gold deposition			Type	A1 Journal article
	Year	2004	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	231/232	Issue		Pages	256-260
	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	000222427700049	Publication Date	2004-04-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 3.387; 2004 IF: 1.497
	Call Number	UA @ lucian @ c:irua:46804			Serial	2510
Permanent link to this record



	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
Permanent link to this record



	Author	Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R.
	Title	Ab initio study of the spectroscopy, kinetics, and thermochemistry of the C₂N and CN₂ molecules			Type	A1 Journal article
	Year	1994	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	226	Issue	5/6	Pages	475-483
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Several structures and electronic states of the C2N and CN2 molecules have been studied using complete active space SCF (CASSCF), multireference configuration interaction (MRCI), and coupled cluster (CCSD(T)) methods. Both molecules are very stable. Our best computed total atomization energies SIGMAD(e) are 288.6 +/- 2 kcal/mol for CN2, and 294.1 +/- 2 kcal/mol for C2N. The CNC and CCN structures for C2N are nearly isoenergetic. CNN(3PI) lies about 30 kcal/mol above NCN(3PI(g)), but has a high barrier towards interconversion and is therefore observed experimentally. Computed harmonic frequencies for CNN are sensitive to the correlation treatment: they are reproduced well using multireference methods as well as the CCSD(T) method. High spin contamination has a detrimental effect on computed harmonic frequencies at the CCSD(T) level.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1994PE00500008	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	46	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:10256			Serial	37
Permanent link to this record



	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
Permanent link to this record



	Author	Martin, J.M.L.; Taylor, P.R.; François, J.P.; Gijbels, R.
	Title	Ab initio study of the spectroscopy, kinetics, and thermochemistry of the BN₂ molecule			Type	A1 Journal article
	Year	1994	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	222	Issue		Pages	517-523
	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	A1994NN02600016	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	14	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:10255			Serial	36
Permanent link to this record



	Author	Clima, S.; Garbin, D.; Devulder, W.; Keukelier, J.; Opsomer, K.; Goux, L.; Kar, G.S.; Pourtois, G.
	Title	Material relaxation in chalcogenide OTS SELECTOR materials			Type	A1 Journal article
	Year	2019	Publication	Microelectronic engineering	Abbreviated Journal	Microelectron Eng
	Volume	215	Issue	215	Pages	110996
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Nature of the mobility-gap states in amorphous Ge-rich Ge50Se50 was found to be related to homopolar Ge bonds in the chains/clusters of Ge atoms. Threshold switching material suffers Ge-Ge bond concentration drift during material ageing, which can explain the observed reliability of the aGe(50)Se(50) selector devices. Strong Ge-N bonds were introduced to alleviate the observed instability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000480665600008	Publication Date	2019-05-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0167-9317	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.806	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.806
	Call Number	UA @ admin @ c:irua:161905			Serial	6308
Permanent link to this record



	Author	de de Meux, A.J.; Bhoolokam, A.; Pourtois, G.; Genoe, J.; Heremans, P.
	Title	Oxygen vacancies effects in a-IGZO : formation mechanisms, hysteresis, and negative bias stress effects			Type	A1 Journal article
	Year	2017	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	214	Issue	6	Pages	1600889
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The amorphous oxide semiconductor Indium-Gallium-Zinc-Oxide (a-IGZO) has gained a large technological relevance as a semiconductor for thin-film transistors in active-matrix displays. Yet, major questions remain unanswered regarding the atomic origin of threshold voltage control, doping level, hysteresis, negative bias stress (NBS), and negative bias illumination stress (NBIS). We undertake a systematic study of the effects of oxygen vacancies on the properties of a-IGZO by relating experimental observations to microscopic insights gained from first-principle simulations. It is found that the amorphous nature of the semiconductor allows unusually large atomic relaxations. In some cases, oxygen vacancies are found to behave as perfect shallow donors without the formation of structural defects. Once structural defects are formed, their transition states can vary upon charge and discharge cycles. We associate this phenomenon to a possible presence of hysteresis in the transfer curve of the devices. Under NBS, the creation of oxygen vacancies becomes energetically very stable, hence thermodynamically very likely. This generation process is correlated with the occurrence of the negative bias stress instabilities observed in a-IGZO transistors. While oxygen vacancies can therefore be related to NBS and hysteresis, it appears unlikely from our results that they are direct causes of NBIS, contrary to common belief.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000403339900012	Publication Date	2017-03-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.775	Times cited	8	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.775
	Call Number	UA @ lucian @ c:irua:144219			Serial	4678
Permanent link to this record



	Author	Somers, W.; Bogaerts, A.; van Duin, A.C.T.; Huygh, S.; Bal, K.M.; Neyts, E.C.
	Title	Temperature influence on the reactivity of plasma species on a nickel catalyst surface : an atomic scale study			Type	A1 Journal article
	Year	2013	Publication	Catalysis today	Abbreviated Journal	Catal Today
	Volume	211	Issue		Pages	131-136
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In recent years, the potential use of hydrogen as a clean energy source has gained considerable attention. Especially H2 formation by Ni-catalyzed reforming of methane at elevated temperatures is an attractive process. However, a more fundamental knowledge at the atomic level is needed for a full comprehension of the reactions at the catalyst surface. In this contribution, we therefore investigate the H2 formation after CHx impacts on a Ni(1 1 1) surface in the temperature range 4001600 K, by means of reactive molecular dynamics (MD) simulations using the ReaxFF potential. While some H2 formation is already observed at the lower temperatures, substantial H2 formation is only obtained at elevated temperatures of 1400 K and above. At 1600 K, the H2 molecules are even the most frequently formed species. In direct correlation with the increasing dehydrogenation at elevated temperatures, an increased surface-to-subsurface C-diffusivity is observed as well. This study highlights the major importance of the temperature on the H2 formation.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000320697800020	Publication Date	2013-03-25
	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	27	Open Access
	Notes				Approved	Most recent IF: 4.636; 2013 IF: 3.309
	Call Number	UA @ lucian @ c:irua:108675			Serial	3500
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	Author	Mortet, V.; Zhang, L.; Eckert, M.; D'Haen, J.; Soltani, A.; Moreau, M.; Troadec, D.; Neyts, E.; De Jaeger, J.C.; Verbeeck, J.; Bogaerts, A.; Van Tendeloo, G.; Haenen, K.; Wagner, P.
	Title	Grain size tuning of nanocrystalline chemical vapor deposited diamond by continuous electrical bias growth : experimental and theoretical study			Type	A1 Journal article
	Year	2012	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	209	Issue	9	Pages	1675-1682
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this work, a detailed structural and spectroscopic study of nanocrystalline diamond (NCD) thin films grown by a continuous bias assisted CVD growth technique is reported. This technique allows the tuning of grain size and phase purity in the deposited material. The crystalline properties of the films are characterized by SEM, TEM, EELS, and Raman spectroscopy. A clear improvement of the crystalline structure of the nanograined diamond film is observed for low negative bias voltages, while high bias voltages lead to thin films consisting of diamond grains of only ∼10 nm nanometer in size, showing remarkable similarities with so-called ultrananocrystalline diamond. These layers arecharacterized by an increasing amount of sp2-bonded carbon content of the matrix in which the diamond grains are embedded. Classical molecular dynamics simulations support the observed experimental data, giving insight in the underlying mechanism for the observed increase in deposition rate with bias voltage. Furthermore, a high atomic concentration of hydrogen has been determined in these films. Finally, Raman scattering analyses confirm that the Raman line observed at ∼1150 cm−1 cannot be attributed to trans-poly-acetylene, which continues to be reported in literature, reassigning it to a deformation mode of CHx bonds in NCD.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000308942100009	Publication Date	2012-09-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.775	Times cited	31	Open Access
	Notes	M.E. and E.N. acknowledge financial support from, respectively, the Institute for Promotion of Innovation through Science and Technology in Flanders (IWT), and the Research Foundation-Flanders (FWO). J.V. gratefully acknowledges financial support from the GOA project “XANES meets ELNES” of the research fund of the University of Antwerp. Calculation support was provided by the University of Antwerp through the core facility CALCUA. G.V.T. acknowledges the ERC grant COUNTATOMS. The work was also financially supported by the joint UAUHasseltMethusalem “NANO” network, the Research Programs G.0068.07 and G.0555.10N of the Research Foundation-Flanders (FWO), the IAP-P6/42 project “Quantum Effects in Clusters and Nanowires”, and by the EU FP7 through the Integrated Infrastructure Initiative “ESMI” (No. 262348), the Marie Curie ITN “MATCON” (PITN-GA-2009-238201), and the Collaborative Project “DINAMO” (No. 245122).			Approved	Most recent IF: 1.775; 2012 IF: 1.469
	Call Number	UA @ lucian @ c:irua:101516UA @ admin @ c:irua:101516			Serial	1364
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	Author	Chen, Z.Y.; Bogaerts, A.; Depla, D.; Ignatova, V.
	Title	Dynamic Monte Carlo simulation for reactive sputtering of aluminium			Type	A1 Journal article
	Year	2003	Publication	Nuclear instruments and methods in physics research: B	Abbreviated Journal	Nucl Instrum Meth B
	Volume	207	Issue		Pages	415-423
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000184051300006	Publication Date	2003-03-25
	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	20	Open Access
	Notes				Approved	Most recent IF: 1.109; 2003 IF: 1.041
	Call Number	UA @ lucian @ c:irua:44016			Serial	762
Permanent link to this record



	Author	Shirazi, M.; Neyts, E.C.; Bogaerts, A.
	Title	DFT study of Ni-catalyzed plasma dry reforming of methane			Type	A1 Journal article
	Year	2017	Publication	Applied catalysis : B : environmental	Abbreviated Journal	Appl Catal B-Environ
	Volume	205	Issue	205	Pages	605-614
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	tWe investigated the plasma-assisted catalytic reactions for the production of value-added chemicalsfrom Ni-catalyzed plasma dry reforming of methane by means of density functional theory (DFT). Weinspected many activation barriers, from the early stage of adsorption of the major chemical fragmentsderived fromCH4andCO2molecules up to the formation of value-added chemicals at the surface, focusingon the formation of methanol, as well as the hydrogenation of C1and C2hydrocarbon fragments. Theactivation barrier calculations show that the presence of surface-bound H atoms and in some cases alsoremaining chemical fragments at the surface facilitates the formation of products. This implies that thehydrogenation of a chemical fragment on the hydrogenated crystalline surface is energetically favouredcompared to the simple hydrogenation of the chemical fragment at the bare Ni(111) surface. Indeed, thepresence of hydrogen modifies the electronic structure of the surface and the course of the reactions.We therefore conclude that surface-bound H atoms, and to some extent also the remaining chemicalfragments at the crystalline surface, induce the following effects: they facilitate associative desorption ofmethanol and ethane by increasing the rate of H-transfer to the adsorbed fragments while they impedehydrogenation of ethylene to ethane, thus promoting again the desorption of ethylene. Overall, they thusfacilitate the catalytic conversion of the formed fragments from CH4and CO2, into value-added chemicals.Finally, we believe that the retention of methane fragments, especially CH3, in the presence of surface-boundHatoms (as observed here for Ni) can be regarded as an identifier for the proper choice of a catalystfor the production of value-added chemicals.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000393931000063	Publication Date	2017-01-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0926-3373	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.446	Times cited	26	Open Access	OpenAccess
	Notes	Financial support from the Reactive Atmospheric Plasmaprocessing –eDucation network (RAPID), through the EU 7thFramework Programme (grant agreement no. 606889) is grate-fully acknowledged. The calculations were performed using theTuring HPC infrastructure at the CalcUA core facility of the Univer-siteit Antwerpen, a division of the Flemish Supercomputer CenterVSC, funded by the Hercules Foundation, the Flemish			Approved	Most recent IF: 9.446
	Call Number	PLASMANT @ plasmant @ c:irua:139514			Serial	4343
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	Author	Lenaerts, J.; Gijbels, R.; van Vaeck, L.; Verlinden, G.; Geuens, I.
	Title	Imaging TOF-SIMS for the surface analysis of silver halide microcrystals			Type	A1 Journal article
	Year	2003	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	203/204	Issue		Pages	614-619
	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	000180527300138	Publication Date	2002-12-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 3.387; 2003 IF: 1.284
	Call Number	UA @ lucian @ c:irua:51974			Serial	1556
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	Author	de Witte, H.; Conard, T.; Vandervorst, W.; Gijbels, R.
	Title	Ion-bombardment artifact in TOF-SIMS analysis of ZrO₂/SiO₂/Si stacks			Type	A1 Journal article
	Year	2003	Publication	Applied surface science	Abbreviated Journal	Appl Surf Sci
	Volume	203	Issue		Pages	523-526
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	We analyzed ultra-thin ZrO2/SiO2/Si gate dielectrics under post-deposition anneals in dry O-2 at temperatures from 500 to 700 degreesC. TOF-SIMS profiling of ZrO2/SiO2/Si stacks is hampered by many sputter induced artifacts. The depletion of oxygen leads to a decrease in SIMS intensities. However, preferential sputtering is accompanied by transport of the depleted species towards the surface. Due to recoil implantation oxygen gets piled-up near the ZrO2/SiO2 interface. Either normal or radiation-enhanced diffusion transports oxygen back to the surface. Simultaneously also segregation of zirconium towards and through the interface is observed, resulting in a large zirconium tail in the underlying silicon substrate. (C) 2002 Elsevier Science B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher	Elsevier science bv	Place of Publication	Amsterdam	Editor
	Language		Wos	000180527300119	Publication Date	2002-12-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.387	Times cited	15	Open Access
	Notes				Approved	Most recent IF: 3.387; 2003 IF: 1.284
	Call Number	UA @ lucian @ c:irua:51975			Serial	1743
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	Author	Neyts, E.; Yan, M.; Bogaerts, A.; Gijbels, R.
	Title	PIC-MC simulation of an RF capacitively coupled Ar/H₂ discharge			Type	A1 Journal article
	Year	2003	Publication	Nuclear instruments and methods in physics research: B	Abbreviated Journal	Nucl Instrum Meth B
	Volume	202	Issue		Pages	300-304
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000182122500048	Publication Date	2003-03-26
	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	8	Open Access
	Notes				Approved	Most recent IF: 1.109; 2003 IF: 1.041
	Call Number	UA @ lucian @ c:irua:44015			Serial	2620
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	Author	Neyts, E.; Bogaerts, A.; de Meyer, M.; van Gils, S.
	Title	Macroscale computer simulations to investigate the chemical vapor deposition of thin metal-oxide films			Type	A1 Journal article
	Year	2007	Publication	Surface and coatings technology	Abbreviated Journal	Surf Coat Tech
	Volume	201	Issue	22/23	Pages	8838-8841
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000249340400008	Publication Date	2007-05-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0257-8972;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.589	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 2.589; 2007 IF: 1.678
	Call Number	UA @ lucian @ c:irua:64790			Serial	1859
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	Author	Slanina, Z.; Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	The structure, energetics, and harmonic vibrations of B₃N			Type	A1 Journal article
	Year	1993	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	201	Issue		Pages	54-58
	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	A1993KF37900010	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	20	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:6145			Serial	3302
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	Author	Bogaerts, A.; de Bleecker, K.; Kolev, I.; Madani, M.
	Title	Modeling of gas discharge plasmas: What can we learn from it?			Type	A1 Journal article
	Year	2005	Publication	Surface and coatings technology	Abbreviated Journal	Surf Coat Tech
	Volume	200	Issue		Pages	62-67
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000232327800014	Publication Date	2005-03-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0257-8972;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.589	Times cited	11	Open Access
	Notes				Approved	Most recent IF: 2.589; 2005 IF: 1.646
	Call Number	UA @ lucian @ c:irua:53629			Serial	2122
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	Author	Vereecke, G.; De Coster, H.; Van Alphen, S.; Carolan, P.; Bender, H.; Willems, K.; Ragnarsson, L.-A.; Van Dorpe, P.; Horiguchi, N.; Holsteyns, F.
	Title	Wet etching of TiN in 1-D and 2-D confined nano-spaces of FinFET transistors			Type	A1 Journal article
	Year	2018	Publication	Microelectronic engineering	Abbreviated Journal
	Volume	200	Issue		Pages	56-61
	Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In the manufacturing of multi-Vt FinFET transistors, the gate material deposited in the nano-spaces left by the removed dummy gate must be etched back in mask-defined wafer areas. Etch conformality is a necessary condition for the control of under-etch at the boundary between areas defined by masking. We studied the feasibility of TiN etching by APM (ammonia peroxide mixture, also known as SC1) in nano-confined volumes representative of FinFET transistors of the 7 nm node and below, namely nanotrenches with 1-D confinement and nanoholes with 2-D confinement. TiN etching was characterized for rate and conformality using different electron microscopy techniques. Etching in closed nanotrenches was conformal, starting and progressing all along the 2-D seam, with a rate that was 38% higher compared to a planar film. Etching in closed nanoholes proved also to be conformal and faster than planar films, but with a delay to open the 1-D seam that seemed to depend strongly on small variations in the hole diameter. However, holes between the fins at the bottom of the removed dummy gate, are not circular and do present 2-D seams that should lend themselves for an easier start of conformal etching as compared to the circular nanoholes used in this study. Finally, to explain the higher etch rate observed in nano-confined features, concentrations of ions in nanoholes were calculated taking the overlap of electrostatic double layers (EDL) into account. With negatively charged TiN walls, as measured by streaming potential on planar films, ammonium was the dominant ion in nanoholes. As no chemical reaction proposed in the literature for TiN etching matched with this finding, we proposed that the formation of ammine complexes, dissolving the formed Ti oxide, was the rate-determining step.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000449134800010	Publication Date	2018-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0167-9317	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:155414			Serial	8757
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	Author	Shazali, I.; Van 't dack, L.; Gijbels, R.
	Title	Determination of precious metals in ores and rocks by thermal neutron activation/\gamma-spectrometry after preconcentration by nickel sulphide fire assay and coprecipitation with tellurium			Type	A1 Journal article
	Year	1987	Publication	Analytica chimica acta	Abbreviated Journal	Anal Chim Acta
	Volume	196	Issue		Pages	49-58
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The six platinum group elements (Ru, Rh, Pd, Os, Ir and Pt) can be determined in geological samples down to the μg kg−1 level, by using nickel sulphide fire assay and neutron activation of the residue ramaining after dissolution of the nickel sulphide button in concentrated hydrochloric acid. Losses for the platinum group elements during this dissolution step are usually insignificant, except when the elements are present at ultra-trace levels. The can be recovered from the filtrate by coprecipitation with tellerium. The latter approach also permits determination of silver, which is significantly lost in the hydrochloric acid treatment (recovery <98% instead of typically ≈ 10%). The coprecipitation with tellurium considerably improves the results for gold (recovery ≈ 95% instead of typically 75%).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	A1987K058900006	Publication Date	2002-07-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-2670;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.513	Times cited	49	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:111403			Serial	670
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	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
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	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	Potential energy surface of B₄ and the total atomization energies of B₂, B₃ and B₄			Type	A1 Journal article
	Year	1992	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	189	Issue	6	Pages	529-536
	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	A1992HF18100008	Publication Date	0000-00-00
	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	50	Open Access
	Notes				Approved	no
	Call Number	UA @ lucian @ c:irua:4193			Serial	2685
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	Author	Gregory, C.; Gijbels, R.; Jacob, W.; Geuens, I.; van Roost, C.; de Keyzer, R.
	Title	Evaluation of characterization methods for thin sections of silver halide microcrystals by analytical electron microscopy			Type	A1 Journal article
	Year	1997	Publication	Journal of microscopy	Abbreviated Journal	J Microsc-Oxford
	Volume	188	Issue		Pages	79-87
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Oxford	Editor
	Language		Wos	A1997YF51000009	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-2720	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.692	Times cited	6	Open Access
	Notes				Approved	Most recent IF: 1.692; 1997 IF: 1.083
	Call Number	UA @ lucian @ c:irua:20461			Serial	1086
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	Author	Martin, J.M.L.; François, J.P.; Gijbels, R.
	Title	The rotational partition function of the symmetric top and the effect of K doubling thereon			Type	A1 Journal article
	Year	1991	Publication	Chemical physics letters	Abbreviated Journal	Chem Phys Lett
	Volume	187	Issue		Pages	375-386
	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	A1991GX46000006	Publication Date	0000-00-00
	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	6	Open Access
	Notes				Approved	MATERIALS SCIENCE, MULTIDISCIPLINARY 38/271 Q1 # METALLURGY & METALLURGICAL ENGINEERING 2/73 Q1 #
	Call Number	UA @ lucian @ c:irua:713			Serial	2931
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