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: ...
	31–60 of 310 records found matching your query (RSS \| history):

Select All Deselect All

<< 1 2 3 4 5 6 7 8 9 10 11 >>

List View

Citations

Details

	Records
	Author	Khaydarov, R.T.; Beisinbaeva, H.B.; Sabitov, M.M.; Kalal, M.; Berdiyorov, G.R.
	Title	Conditions defining the mechanisms of the formation of light gas ions in multicomponent laser-produced plasmas			Type	A1 Journal article
	Year	2010	Publication	Nuclear fusion	Abbreviated Journal	Nucl Fusion
	Volume	50	Issue	10	Pages	105007,1-105007,4
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using the mass-spectrometric method we study the charge, energy and spatial characteristics of ions in multicomponent plasma, generated under the action of Nd : YAG laser radiation on the surface of solid targets. We focus on the effect of the entry form of light gas atoms on the parameters of ions in such laser-produced plasmas. We found that the presence of light gas atoms considerably affects the parameters (e.g. the intensity and the charge multiplicity) of the heavier ions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Vienna	Editor
	Language		Wos	000281859300008	Publication Date	2010-08-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0029-5515;1741-4326;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.307	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 3.307; 2010 IF: 3.303
	Call Number	UA @ lucian @ c:irua:84876			Serial	476
Permanent link to this record



	Author	Verberck, B.; Cambedouzou, J.; Vliegenthart, G.A.; Gompper, G.; Launois, P.
	Title	Monte Carlo studies of C₆₀- and C₇₀-peapods			Type	A1 Journal article
	Year	2012	Publication	Fullerenes, nanotubes, and carbon nanostructures	Abbreviated Journal	Fuller Nanotub Car N
	Volume	20	Issue	4/7	Pages	371-377
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	We present results of Monte Carlo simulations of chains of C-60 and chains of C-70 molecules encapsulated in a single-walled carbon nanotube (SWCNT). We observe the changes in the configuration of the fullerene molecules when varying tube radius and temperature. In particular, the evolution of the pair correlation functions reveal a transition from linear harmonic chain behavior to a hard-sphere liquid upon heating, demonstrating the possibility of tuning properties of C-60- and C-70@SWCNT peapods with radius and temperature.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000304297500015	Publication Date	2012-05-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1536-383X;1536-4046;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.35	Times cited	1	Open Access
	Notes	; Helpful discussions with K. H. Michel, P.-A. Albouy and C. Bousige are gratefully acknowledged. This work was financially supported by the Research Foundation-Flanders (FWO-Vl). ;			Approved	Most recent IF: 1.35; 2012 IF: 0.764
	Call Number	UA @ lucian @ c:irua:99003			Serial	2200
Permanent link to this record



	Author	Rossi, E.H.M.; Van Tendeloo, G.; Rosenauer, A.
	Title	Influence of strain, specimen orientation and background estimation on composition evaluation of InAs/GaAs by TEM			Type	A1 Journal article
	Year	2007	Publication	Philosophical magazine	Abbreviated Journal	Philos Mag
	Volume	87	Issue	29	Pages	4461-4473
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000249890700003	Publication Date	2007-09-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-6435;1478-6443;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.505	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.505; 2007 IF: 1.486
	Call Number	UA @ lucian @ c:irua:66612			Serial	1638
Permanent link to this record



	Author	Penders, A.; Konstantinovic, M.J.; Bosch, R.W.; Schryvers, D.
	Title	Crack initiation in tapered high Si stainless steel specimens : stress threshold analyses			Type	A1 Journal article
	Year	2020	Publication	Corrosion Engineering Science And Technology	Abbreviated Journal	Corros Eng Sci Techn
	Volume		Issue		Pages	1-8
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Tapered specimens were used for an accelerated test technique to study the crack initiation of high Si stainless steel by means of constant elongation rate tensile testing in a simulated pressurised water reactor environment. Detailed crack density distributions were obtained by applying an advanced crack detection algorithm on iteratively displaced scanning electron microscopy pictures featuring stress corrosion cracks along the specimen's gauge length. By means of finite-element analysis, prominent peaks in the crack density graphs are demonstrated to be related to stress relief and stress build-up during the crack initiation phase. Intrinsic scatter related to the crack detection suggests that stress corrosion cracking is independent of the strain-rate for strain-rates lower than 10(-6 )s(-1). Based on the extrapolation to constant load conditions, the critical threshold value for the duplex high Si stainless steel is estimated to be around 580 MPa.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000549651600001	Publication Date	2020-06-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-422x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.8	Times cited	1	Open Access	Not_Open_Access
	Notes	; We would like to acknowledge ENGIE Electrabel for the financial support of this work under the contract number BSUEZ5500. ;			Approved	Most recent IF: 1.8; 2020 IF: 0.879
	Call Number	UA @ admin @ c:irua:171292			Serial	6478
Permanent link to this record



	Author	Mahmoudi, H.; Renn, O.; Hoffmann, V.; Van Passel, S.; Azadi, H.
	Title	Social risk screening using a socio-political ambiguity approach : the case of organic agriculture in Iran			Type	A1 Journal article
	Year	2015	Publication	Journal Of Risk Research	Abbreviated Journal	J Risk Res
	Volume	18	Issue	6	Pages	747-770
	Keywords	A1 Journal article; Sociology; Engineering Management (ENM)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000356236300009	Publication Date	2014-05-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1366-9877	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.34	Times cited	1	Open Access
	Notes	; H.M. thanks the Ministry of Science, Research, and Technology of Iran (MSRT) for a PhD fellowship. The authors wish to thank Dr. Stefan Burkart for his kind help to improve the English of the paper. ;			Approved	Most recent IF: 1.34; 2015 IF: 0.935
	Call Number	UA @ admin @ c:irua:127534			Serial	6249
Permanent link to this record



	Author	Hosseininia, G.; Rafiaani Khachak, P.; Nooripoor, M.; Van Passel, S.; Azadi, H.
	Title	Understanding communicational behavior among rangelands' stakeholders : application of social network analysis			Type	A1 Journal article
	Year	2016	Publication	Journal Of Environmental Planning And Management	Abbreviated Journal	J Environ Plann Man
	Volume	59	Issue	2	Pages	320-341
	Keywords	A1 Journal article; Economics; Engineering Management (ENM)
	Abstract	Understanding communicational behavior of rangelands stakeholders is fundamental for effective development of rangeland management plans. This study aimed to understand differences between stakeholders relations among various actors involved in rangeland management using social network analysis (SNA). A survey was conducted on 334 stakeholders (89 extension agents, 110 researchers and 135 executive agents) in the Tehran province, Iran. Results showed that all the three groups of stakeholders are interested in making contact mainly within their own group. Furthermore, while the executive agents have shared the strongest technical and friendship relations with the two other groups, the extension agents established the strongest administrative interactions. The researchers, however, made a poor link especially with the extension agents. The study concluded that SNA could be an efficient tool to assess communicational behavior in rangeland management.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000366383400008	Publication Date	2015-03-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0964-0568	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.56	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 1.56
	Call Number	UA @ admin @ c:irua:136755			Serial	6274
Permanent link to this record



	Author	Vandelannoote, R.; Blommaert, W.; Van 't dack, L.; Gijbels, R.; van Grieken, R.
	Title	Statistical grouping and controlling factors of dissolved trace elements in a surface water system			Type	A3 Journal article
	Year	1983	Publication	Environmental technology letters	Abbreviated Journal
	Volume	4	Issue	8/9	Pages	363-376
	Keywords	A3 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Sensitive multi‐element analytical techniques were applied to determine 24 dissolved trace components in 25 different water samples from a 10 km2 zone in Brittany, France. Correspondence factor and multiple regression analyses showed that the elements considered are influenced mainly by the presence of: Fe‐Mn oxide accumulations, a local poly‐metallic sulfide mineralization, and non‐mineralized host rocks, agricultural activity and abundant organic material in local swamps. Via these numerical techniques the location of the poly‐metallic ore body can be derived from the data set.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos		Publication Date	2008-12-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0143-2060;	ISBN		Additional Links	UA library record
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	PHYSICS, APPLIED 28/145 Q1 #
	Call Number	UA @ lucian @ c:irua:111443			Serial	3157
Permanent link to this record



	Author	Van Wesenbeeck, K.; Hauchecorne, B.; Lenaerts, S.
	Title	Study of positive and negative plasma catalytic oxidation of ethylene			Type	A1 Journal article
	Year	2017	Publication	Environmental technology	Abbreviated Journal	Environ Technol
	Volume	38	Issue	12	Pages	1554-1561
	Keywords	A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	The effect of introducing a photocatalytically active coating inside a plasma unit is investigated. This technique combines the advantages of high product selectivity from catalysis and the fast start-up from plasma technology. In this study, a preselected TiO2 coating is applied on the collector electrode of a DC corona discharge unit as non-thermal plasma reactor, in order to study the oxidation of ethylene. For both positive and negative polarities an enhanced mineralization is observed while the formation of by-products drastically decreases. The plasma catalytic unit gave the best results when using negative polarity at a voltage of 15kV. This shows the potential of plasma catalysis as indoor air purification technology.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000402018900010	Publication Date	2016-10-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0959-3330	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.751	Times cited	1	Open Access
	Notes	; The authors wish to thank the University of Antwerp for supporting and funding this research. ;			Approved	Most recent IF: 1.751
	Call Number	UA @ admin @ c:irua:144351			Serial	5993
Permanent link to this record



	Author	De Meulenaere, P.; Van Tendeloo, G.; van Landuyt, J.; Mommaert, C.; Severne, G.
	Title	Radiation defects and ordered radiation patterns in Ni and Ni₄Mo: a study by electron microscopy			Type	A1 Journal article
	Year	1993	Publication	Philosophical magazine: A: physics of condensed matter: defects and mechanical properties	Abbreviated Journal
	Volume	67	Issue	3	Pages	745-756
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	A1993	Publication Date	2007-07-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0141-8610;1460-6992;	ISBN		Additional Links	UA library record; https://www.webofscience.com/api/gateway?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:A1993; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes				Approved
	Call Number	UA @ lucian @ c:irua:6783			Serial	2808
Permanent link to this record



	Author	Matthai, C.C.; March, N.H.; Lamoen, D.
	Title	Supercooled molecular liquids and the glassy phases of chemically bonded N, P, As, Si and Ge			Type	A1 Journal article
	Year	2009	Publication	Physics and chemistry of liquids	Abbreviated Journal	Phys Chem Liq
	Volume	47	Issue	6	Pages	607-613
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Glassy phases which have insulating character exist for a variety of monatomic species. By contrast, until recently, it has been possible to make bulk metallic glasses (BMG) by vitrification only for multicomponent systems. After a relatively brief summary on supercooling of a few molecular liquids, we review some of the recently reported results on molecular assemblies of the series N, P, As and amorphous Si and Ge. Based on these results, we suggest that the transition metals with their directional bonding might be suitable candidates for the production of BMG by vitrification.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000273047400003	Publication Date	2009-11-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9104;1029-0451;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.145	Times cited	1	Open Access
	Notes	BoF			Approved	Most recent IF: 1.145; 2009 IF: 0.580
	Call Number	UA @ lucian @ c:irua:80653			Serial	3376
Permanent link to this record



	Author	Lamoen, D.; March, N.H.
	Title	Gradient expansion and beyond for stress tensor and tangential pressure deficit through a planar liquid-vapour interface			Type	A1 Journal article
	Year	2000	Publication	Physics And Chemistry Of Liquids	Abbreviated Journal	Phys Chem Liq
	Volume	38	Issue		Pages	495-504
	Keywords	A1 Journal article; Electron Microscopy for Materials Science (EMAT);
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000087986300011	Publication Date	2007-07-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0031-9104;1029-0451;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.145	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 1.145; 2000 IF: 0.267
	Call Number	UA @ lucian @ c:irua:27831			Serial	1362
Permanent link to this record



	Author	Chaves, A.; Moura, V.N.; Linard, F.J.A.; Covaci, L.; Milošević, M.V.
	Title	Tunable magnetic focusing using Andreev scattering in superconductor-graphene hybrid devices			Type	A1 Journal article
	Year	2020	Publication	Journal Of Applied Physics	Abbreviated Journal	J Appl Phys
	Volume	128	Issue	12	Pages	124303
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We perform the wavepacket dynamics simulation of a graphene-based device where propagating electron trajectories are tamed by an applied magnetic field toward a normal/superconductor interface. The magnetic field controls the incidence angle of the incoming electronic wavepacket at the interface, which results in the tunable electron-hole ratio in the reflected wave function due to the angular dependence of the Andreev reflection. Here, mapped control of the quasiparticle trajectories by the external magnetic field not only defines an experimental probe for fundamental studies of the Andreev reflection in graphene but also lays the foundation for further development of magnetic focusing devices based on nanoengineered superconducting two-dimensional materials.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000576393200002	Publication Date	2020-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.2	Times cited	1	Open Access	Not_Open_Access
	Notes	; This work was supported by the Brazilian Council for Research (CNPq) through the PRONEX/FUNCAP and PQ programs and by the Research Foundation-Flanders (FWO). ;			Approved	Most recent IF: 3.2; 2020 IF: 2.068
	Call Number	UA @ admin @ c:irua:172730			Serial	6639
Permanent link to this record



	Author	Verreck, D.; Verhulst, A.S.; Van de Put, M.L.; Sorée, B.; Magnus, W.; Collaert, N.; Mocuta, A.; Groeseneken, G.
	Title	Self-consistent procedure including envelope function normalization for full-zone Schrodinger-Poisson problems with transmitting boundary conditions			Type	A1 Journal article
	Year	2018	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	124	Issue	20	Pages	204501
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In the quantum mechanical simulation of exploratory semiconductor devices, continuum methods based on a k.p/envelope function model have the potential to significantly reduce the computational burden compared to prevalent atomistic methods. However, full-zone k.p/envelope function simulation approaches are scarce and existing implementations are not self-consistent with the calculation of the electrostatic potential due to the lack of a stable procedure and a proper normalization of the multi-band envelope functions. Here, we therefore present a self-consistent procedure based on a full-zone spectral k.p/envelope function band structure model. First, we develop a proper normalization for the multi-band envelope functions in the presence of transmitting boundary conditions. This enables the calculation of the free carrier densities. Next, we construct a procedure to obtain self-consistency of the carrier densities with the electrostatic potential. This procedure is stabilized with an adaptive scheme that relies on the solution of Poisson's equation in the Gummel form, combined with successive underrelaxation. Finally, we apply our procedure to homostructure In0.53Ga0.47As tunnel field-effect transistors (TFETs) and staggered heterostructure GaAs0.5Sb0.5/In0.53Ga0.47As TFETs and show the importance of self-consistency on the device predictions for scaled dimensions. Published by AIP Publishing.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000451743900015	Publication Date	2018-11-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979; 1089-7550	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	1	Open Access
	Notes	; This work was supported by imec's Industrial Affiliation Program. ;			Approved	Most recent IF: 2.068
	Call Number	UA @ admin @ c:irua:156291			Serial	5228
Permanent link to this record



	Author	Čukarić, N.A.; Tadić, M.Z.; Partoens, B.; Peeters, F.M.
	Title	The interband optical absorption in silicon quantum wells : application of the 30-band k . p model			Type	A1 Journal article
	Year	2014	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	104	Issue	24	Pages	242103
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The interband optical absorption in Si/SiO2 quantum wells is calculated as function of the well width (W) and the evolution from an indirect to a direct gap material as function of the well width is investigated. In order to compute the electron states in the conduction band, the 30-band k . p model is employed, whereas the 6-band Luttinger-Kohn model is used for the hole states. We found that the effective direct band gap in the quantum well agrees very well with the W-2 scaling result of the single-band model. The interband matrix elements for linear polarized light oscillate with the quantum well width, which agrees qualitatively with a single band calculation. Our theoretical results indicate that the absorption can be maximized by a proper choice of the well width. However, the obtained absorption coefficients are at least an order of magnitude smaller than for a typical direct semiconductor even for a well width of 2 nm. (C) 2014 AIP Publishing LLC.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000337915000033	Publication Date	2014-06-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;1077-3118;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	1	Open Access
	Notes	; This work was supported by the Ministry of Education, Science, and Technological Development of Serbia, the Flemish fund for Scientific Research (FWO-Vl), and the Methusalem programme of the Flemish government. ;			Approved	Most recent IF: 3.411; 2014 IF: 3.302
	Call Number	UA @ lucian @ c:irua:118448			Serial	1689
Permanent link to this record



	Author	Chen, Z.; Bogaerts, A.
	Title	Response to “Comment on 'Laser ablation of Cu and plume expansion into 1 atm ambient gas'” [J. Appl. Phys. 115, 166101 (2014)]			Type	Editorial
	Year	2014	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	115	Issue	16	Pages	166102
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000335228400092	Publication Date	2014-05-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;1089-7550;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 2.068; 2014 IF: 2.183
	Call Number	UA @ lucian @ c:irua:117171			Serial	2898
Permanent link to this record



	Author	de Sousa, J.S.; Covaci, L.; Peeters, F.M.; Farias, G.A.
	Title	Time-dependent investigation of charge injection in a quantum dot containing one electron			Type	A1 Journal article
	Year	2012	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	112	Issue	9	Pages	093705-93709
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The interaction of an injected electron towards a quantum dot (QD) containing a single confined electron is investigated using a flexible time-dependent quantum mechanics formalism, which allows both electrons to move and undergo quantum transitions. Different scenarios combining quantum dot dimensions, dielectric constant, injected wave packet energy, and width were explored, and our main results are: (i) due to the large characteristic transitions times between the confined state in the quantum dot and the delocalized state in the continuum, it is relatively difficult to ionize the occupied QD by Coulomb interaction solely and (ii) the charging state of the quantum dot can be sensed by direct injection of charges. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4759292]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000311968400052	Publication Date	2012-11-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	1	Open Access
	Notes	; This work was financially supported by the Brazilian National Research Council (CNPq), under Contract No. NanoBioEstruturas 555183/2005-0, Fundao Cearense de Apoio ao Desenvolvimento Cientfico e Tecnolgico (Funcap), CAPES, Pronex/CNPq/ Funcap, the Bilateral program between Flanders and Brazil, and the Flemish Science Foundation (FWO). ;			Approved	Most recent IF: 2.068; 2012 IF: 2.210
	Call Number	UA @ lucian @ c:irua:106014			Serial	3664
Permanent link to this record



	Author	Frabboni, S.; Grillo, V.; Gazzadi, G.C.; Balboni, R.; Trotta, R.; Polimeni, A.; Capizzi, M.; Martelli, F.; Rubini, S.; Guzzinati, G.; Glas, F.;
	Title	Convergent beam electron-diffraction investigation of lattice mismatch and static disorder in GaAs/GaAs_1-xN_x intercalated GaAs/GaAs_1-xN_x:H heterostructures			Type	A1 Journal article
	Year	2012	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	101	Issue	11	Pages	111912-111914
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Hydrogen incorporation in diluted nitride semiconductors dramatically modifies the electronic and structural properties of the crystal through the creation of nitrogen-hydrogen complexes. We report a convergent beam electron-diffraction characterization of diluted nitride semiconductor-heterostructures patterned at a sub-micron scale and selectively exposed to hydrogen. We present a method to determine separately perpendicular mismatch and static disorder in pristine and hydrogenated heterostructures. The roles of chemical composition and strain on static disorder have been separately assessed. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4752464]
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000309329300033	Publication Date	2012-09-15
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 3.411; 2012 IF: 3.794
	Call Number	UA @ lucian @ c:irua:102203			Serial	511
Permanent link to this record



	Author	Scalise, E.; Houssa, M.; Pourtois, G.; Afanas'ev, V.V.; Stesmans, A.
	Title	Inelastic electron tunneling spectroscopy of HfO₂ gate stacks : a study based on first-principles modeling			Type	A1 Journal article
	Year	2011	Publication	Applied physics letters	Abbreviated Journal	Appl Phys Lett
	Volume	99	Issue	13	Pages	132101,1-132101,3
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	A first-principles modeling approach is used to investigate the vibrational properties of HfO2. The calculated phonon density of states is compared to experimental results obtained from inelastic electron tunneling spectroscopy (IETS) of various metal-oxide-semiconductor devices with HfO2 gate stacks. This comparison provides deep insights into the nature of the signatures of the complicated IETS spectra and provides valuable structural information about the gate stack, such as the possible presence of oxygen vacancies in jet-vapour deposited HfO2. Important structural differences between the interface of atomic-layer or molecular-beam deposited HfO2 and the Si substrate are also revealed.
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000295618000036	Publication Date	2011-09-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0003-6951;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.411	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 3.411; 2011 IF: 3.844
	Call Number	UA @ lucian @ c:irua:93611			Serial	1606
Permanent link to this record



	Author	Lujan, G.S.; Sorée, B.; Magnus, W.; de Meyer, K.
	Title	A method to calculate tunneling leakage currents in silicon inversion layers			Type	A1 Journal article
	Year	2006	Publication	Journal of applied physics	Abbreviated Journal	J Appl Phys
	Volume	100	Issue	3	Pages	033708,1-5
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher	American Institute of Physics	Place of Publication	New York, N.Y.	Editor
	Language		Wos	000239764100051	Publication Date	2006-08-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-8979;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.068	Times cited	1	Open Access
	Notes				Approved	Most recent IF: 2.068; 2006 IF: 2.316
	Call Number	UA @ lucian @ c:irua:60963			Serial	2016
Permanent link to this record



	Author	Potapov, P.; Ochin, P.; Pons, J.; Schryvers, D.
	Title	Nanoscale inhomogeneities in melt-spun Ni-Al			Type	A1 Journal article
	Year	2001	Publication	Journal de physique: 4	Abbreviated Journal	J Phys Iv
	Volume	11	Issue		Pages	439-444
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Les Ulis	Editor
	Language		Wos	000173253800074	Publication Date	2007-09-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1155-4339;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:48387			Serial	2264
Permanent link to this record



	Author	Schryvers, D.; Potapov, P.; Ledda, A.; Shelyakov, A.
	Title	Structural characterisation of melt-spun Ti-Ni-Cu-ribbons			Type	A1 Journal article
	Year	2001	Publication	Journal de physique: 4	Abbreviated Journal	J Phys Iv
	Volume	11	Issue		Pages	363-368
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Les Ulis	Editor
	Language		Wos	000173253800062	Publication Date	2007-09-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1155-4339;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:48386			Serial	3214
Permanent link to this record



	Author	Seo, J.W.; Schryvers, D.
	Title	Defect structures in CuZr martensite, studies by CTEM and HRTEM			Type	A1 Journal article
	Year	1997	Publication	Journal de physique: 4	Abbreviated Journal	J Phys Iv
	Volume	C5	Issue		Pages	149-154
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Les Ulis	Editor
	Language		Wos	000072520300024	Publication Date	2007-07-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1155-4339;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:21351			Serial	623
Permanent link to this record



	Author	Cao, S.; Nishida, M.; Somsen, C.; Eggeler, G.; Schryvers, D.
	Title	3D FIB/SEM study of Ni₄Ti₃ precipitates in Ni-Ti alloys with different thermal-mechanical histories			Type	P1 Proceeding
	Year	2009	Publication		Abbreviated Journal
	Volume		Issue		Pages	02004,1-02004,6
	Keywords	P1 Proceeding; Electron microscopy for materials research (EMAT)
	Abstract	The three-dimensional size, morphology and distribution of Ni4Ti3 precipitates growing in binary Ni-rich Ni-Ti alloys have been investigated via a slice view procedure in a Dual-Beam FIB/SEM system, in order to better stress-free Ni50.8Ti49.2 alloy with all four variants of precipitates and a compressed Ni51Ti49 alloy with aligned precipitates in one family were studied. The Ni4Ti3 precipitates reach a volume fraction of 9.6% in the reconstructed region of the stress-free alloy and 4.3% in the compressed one. In both cases, the mean volume, specific surface area, sphericity and aspect ratio of the precipitates are calculated and the Pair Distribution Functions of the precipitates are obtained. It is shown that most precipitates in the stress-free sample grow larger and have a more lenticular shape, while those in the compressed sample are more cylindrical. Deviations from these ideal shapes reveal internal steps in the stress-free sample and lamellae formation in the compressed one.
	Address
	Corporate Author				Thesis
	Publisher	Edp	Place of Publication	Coutaboeuf	Editor
	Language		Wos	000274582300008	Publication Date	2009-08-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:81950 c:irua:81950			Serial	14
Permanent link to this record



	Author	Pandey, T.; Peeters, F.M.; Milošević, M.V.
	Title	High thermoelectric figure of merit in p-type Mg₃Si₂Te₆: role of multi-valley bands and high anharmonicity			Type	A1 Journal article
	Year	2023	Publication	Journal of materials chemistry C : materials for optical and electronic devices	Abbreviated Journal
	Volume	11	Issue	33	Pages	11185-11194
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Silicon-based materials are attractive for thermoelectric applications due to their thermal stability, chemical inertness, and natural abundance of silicon. Here, using a combination of first-principles and Boltzmann transport calculations we report the thermoelectric properties of the recently synthesized compound Mg3Si2Te6. Our analysis reveals that Mg3Si2Te6 is a direct bandgap semiconductor with a bandgap of 1.6 eV. The combination of heavy and light valence bands, along with a high valley degeneracy, results in a large power factor under p-type doping. We also find that Mg is weakly bonded both within and between the layers, leading to low phonon group velocities. The vibrations of the Mg atoms are localized and make a significant contribution to phonon-phonon scattering. This high anharmonicity, coupled with low phonon group velocity, results in a low lattice thermal conductivity of & kappa;(l) = 0.5 W m(-1) K-1 at room temperature, along the cross-plane direction. Combining excellent electronic transport properties and low & kappa;(l), p-type Mg3Si2Te6 achieves figure-of-merit (zT) values greater than 1 at temperatures above 600 K. Specifically, a zT of 2.0 is found at 900 K along the cross-plane direction. Our findings highlight the importance of structural complexity and chemical bonding in electronic and phonon transport, providing guiding insights for further design of Si-based thermoelectrics.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001041124900001	Publication Date	2023-07-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7526; 2050-7534	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	6.4	Times cited	1	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 6.4; 2023 IF: 5.256
	Call Number	UA @ admin @ c:irua:198296			Serial	8821
Permanent link to this record



	Author	Yorulmaz, U.; Šabani, D.; Yagmurcukardes, M.; Sevik, C.; Milošević, M.V.
	Title	High-throughput analysis of tetragonal transition metal Xenes			Type	A1 Journal article
	Year	2022	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	24	Issue	48	Pages	29406-29412
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We report a high-throughput first-principles characterization of the structural, mechanical, electronic, and vibrational properties of tetragonal single-layer transition metal Xenes (t-TMXs). Our calculations revealed 22 dynamically, mechanically and chemically stable structures among the 96 possible free-standing layers present in the t-TMX family. As a fingerprint for their structural identification, we identified four characteristic Raman active phonon modes, namely three in-plane and one out-of-plane optical branches, with various intensities and frequencies depending on the material in question. Spin-polarized electronic calculations demonstrated that anti-ferromagnetic (AFM) metals, ferromagnetic (FM) metals, AFM semiconductors, and non-magnetic semiconductor materials exist within this family, evidencing the potential of t-TMXs for further use in multifunctional heterostructures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000892446100001	Publication Date	2022-11-30
	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	3.3	Times cited	1	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 3.3
	Call Number	UA @ admin @ c:irua:192762			Serial	7310
Permanent link to this record



	Author	Baskurt, M.; Nair, R.R.; Peeters, F.M.; Sahin, H.
	Title	Ultra-thin structures of manganese fluorides : conversion from manganese dichalcogenides by fluorination			Type	A1 Journal article
	Year	2021	Publication	Physical Chemistry Chemical Physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	23	Issue	17	Pages	10218-10224
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this study, it is predicted by density functional theory calculations that graphene-like novel ultra-thin phases of manganese fluoride crystals, that have nonlayered structures in their bulk form, can be stabilized by fluorination of manganese dichalcogenide crystals. First, it is shown that substitution of fluorine atoms with chalcogens in the manganese dichalcogenide host lattice is favorable. Among possible crystal formations, three stable ultra-thin structures of manganese fluoride, 1H-MnF2, 1T-MnF2 and MnF3, are found to be stable by total energy optimization calculations. In addition, phonon calculations and Raman activity analysis reveal that predicted novel single-layers are dynamically stable crystal structures displaying distinctive characteristic peaks in their vibrational spectrum enabling experimental determination of the corresponding phases. Differing from 1H-MnF2 antiferromagnetic (AFM) large gap semiconductor, 1T-MnF2 and MnF3 single-layers are semiconductors with ferromagnetic (FM) ground state.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000641719700001	Publication Date	2021-04-15
	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	1	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.123
	Call Number	UA @ admin @ c:irua:178252			Serial	7043
Permanent link to this record



	Author	Liu, P.; Wu, T.; Madsen, J.; Schiotz, J.; Wagner, J.B.; Hansen, T.W.
	Title	Transformations of supported gold nanoparticles observed by in situ electron microscopy			Type	A1 Journal article
	Year	2019	Publication	Nanoscale	Abbreviated Journal	Nanoscale
	Volume	11	Issue	24	Pages	11885-11891
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Oxide supported metal nanoparticles play an important role in heterogeneous catalysis. However, understanding the metal/oxide interface and their evolution under reaction conditions remains challenging. Herein, we investigate the interface between Au nanoparticles and a CeO2 substrate by environmental transmission electron microscopy with atomic resolution. We find that the Au nanoparticles have two preferential epitaxial relationships with the substrate, i.e. Type I (111)[-110]CeO2//(111)[-110]Au and Type II (111)[-110]CeO2//(111)[1-10]Au orientation relationships, where Type I is preferred. In situ observations in the presence of O-2 show that the gas can stimulate the supported Au nanoparticles to transform between these two orientations even at room temperature. Moreover, when increasing the temperature to 973 K, the transformation of an Au nanoparticle between the two orientation states and a non-crystalline state in the presence of O-2 is also observed. DFT calculations of the binding between Au and CeO2 in the two relationships are strongly influenced by the presence of oxygen vacancies. For a given position of a vacancy, there is a significant energy difference between the energy of the two types. However, for some positions, Type I is preferred, and for others, Type II, but the most favourable position of the vacancy for the two types has a very similar energy. This is consistent with the observation of both types of adhesion.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000472559800049	Publication Date	2019-05-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2040-3364	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.367	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 7.367
	Call Number	UA @ admin @ c:irua:161313			Serial	5402
Permanent link to this record



	Author	Thomassen, G.; Van Dael, M.; You, F.; Van Passel, S.
	Title	A multi-objective optimization-extended techno-economic assessment : exploring the optimal microalgal-based value chain			Type	A1 Journal article
	Year	2019	Publication	Green Chemistry	Abbreviated Journal	Green Chem
	Volume	21	Issue	21	Pages	5945-5959
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	The use of fossil-based products induces a large environmental burden. To lighten this burden, green technologies are required that can replace their fossil-based counterparts. To enable the development of economically viable green technologies, an optimization towards both economic and environmental objectives is required. To perform this multi-objective optimization (MOO), the environmental techno-economic assessment (ETEA) methodology is extended towards a MOO-extended ETEA. The development of this MOO-extended ETEA is the main objective of this manuscript. As an example of a green technology, the concept of microalgae biorefineries is used as a case study to illustrate the MOO-extended ETEA. According to the results, all optimal value chains include open pond cultivation, a membrane for medium recycling and spray drying. The optimal economic value chain uses Nannochloropsis sp. in a one-stage cultivation to produce fish larvae feed, while the optimal environmental design uses Dunaliella salina or Haematococcus pluvialis to produce carotenoids and fertilizer or energy products, by means of anaerobic digestion or gasification. The crucial parameters for both environmental and economic feasibility are the content, price and reference impact of the main end product, the growth parameters and the biomass and carotenoid recovery efficiency alongside the different process steps. By identifying the economic and environmentally optimal algal-based value chain and the crucial drivers, the MOO-extended ETEA provides insights on how algae-based value chains can be developed in the most economic and environmentally-friendly way. For example, the inclusion of a medium recycling step to lower the water and salt consumption is required in all Pareto-optimal scenarios. Another major insight is the requirement of high-value products such as carotenoids or specialty food to obtain and economically and environmentally feasible algal-based value chain. Due to the modular nature of the MOO-extended ETEA, multiple processes can be included or excluded from the superstructure. Although this case study is limited to current microalgae biorefinery technologies, the MOO-extended ETEA can also be used to assess the economic and environmental effect of more innovative technologies. This way, the MOO-extended ETEA provides a methodology to assess the economic and environmental potential of innovative green technologies and shorten their time-to-market.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000493077100016	Publication Date	2019-10-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1463-9262; 1463-9270	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.125	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 9.125
	Call Number	UA @ admin @ c:irua:164296			Serial	6230
Permanent link to this record



	Author	Tan, X.; McCabe, E.E.; Orlandi, F.; Manuel, P.; Batuk, M.; Hadermann, J.; Deng, Z.; Jin, C.; Nowik, I.; Herber, R.; Segre, C.U.; Liu, S.; Croft, M.; Kang, C.-J.; Lapidus, S.; Frank, C.E.; Padmanabhan, H.; Gopalan, V.; Wu, M.; Li, M.-R.; Kotliar, G.; Walker, D.; Greenblatt, M.
	Title	MnFe_0.5Ru_0.5O₃ : an above-room-temperature antiferromagnetic semiconductor			Type	A1 Journal article
	Year	2019	Publication	Journal of materials chemistry C : materials for optical and electronic devices	Abbreviated Journal	J Mater Chem C
	Volume	7	Issue	3	Pages	509-522
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A transition-metal-only MnFe0.5Ru0.5O3 polycrystalline oxide was prepared by a reaction of starting materials MnO, MnO2, Fe2O3, RuO2 at 6 GPa and 1873 K for 30 minutes. A combination of X-ray and neutron powder diffraction refinements indicated that MnFe0.5Ru0.5O3 adopts the corundum (alpha-Fe2O3) structure type with space group R (3) over barc, in which all metal ions are disordered. The centrosymmetric nature of the MnFe0.5Ru0.5O3 structure is corroborated by transmission electron microscopy, lack of optical second harmonic generation, X-ray absorption near edge spectroscopy, and Mossbauer spectroscopy. X-ray absorption near edge spectroscopy of MnFe0.5Ru0.5O3 showed the oxidation states of Mn, Fe, and Ru to be 2+/3+, 3+, and similar to 4+, respectively. Resistivity measurements revealed that MnFe0.5Ru0.5O3 is a semiconductor. Magnetic measurements and magnetic structure refinements indicated that MnFe0.5Ru0.5O3 orders antiferromagnetically around 400 K, with magnetic moments slightly canted away from the c axis. Fe-57 Mossbauer confirmed the magnetic ordering and Fe3+ (S = 5/2) magnetic hyperfine splitting. First principles calculations are provided to understand the electronic structure more thoroughly. A comparison of synthesis and properties of MnFe0.5Ru0.5O3 and related corundum Mn2BB'O-6 derivatives is discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000458780300004	Publication Date	2018-11-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7526; 2050-7534	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.256	Times cited	1	Open Access	Not_Open_Access
	Notes	; M. G. thanks the NSF-DMR-1507252 grant of the United States. X. T. was supported by the “Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy'' under DOE Grant No. DE-FOA-0001276. G. K. and C. J. K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. EEM is grateful to the Leverhulme Trust (RPG-2017-362). M. R. Li and M. X. Wu are supported by the ”One Thousand Youth Talents'' Program of China. Use of the Advanced Photon Source at Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. Part of this research used the ISS, 8-ID and TES, 8-BM beamlines at the National Synchrotron Light Source II (NSLS-II), a U.S. Department of Energy (DOE) Office of Science User Facility operated for the DOE Office of Science by Brookhaven National Laboratory under Contract No. DE-SC0012704. Without the valuable aid/support of the NSLS-II staff scientists Eli Stavitski, Klaus Attenkofer, and Paul Northrup this phase of the work could not have been performed. The work at IOPCAS was supported by NSF & MOST of China through research projects. H. R. and V. G. acknowledge NSF-MRSEC Center for Nanoscale Science at Penn State through the grant number DMR-1420620. The authors would like to thank Ms Jean Hanley at Lamont-Doherty Earth Observatory in Columbia University for making the high-pressure assemblies. The authors acknowledge the science and technology facility council (STFC) UK for the provision of neutron beam time. The authors would like to thank Daniel Nye for help on the Rigaku SmartLab X-ray diffractometer instrument in the Materials Characterization Laboratory at the ISIS Neutron and Muon Source. ;			Approved	Most recent IF: 5.256
	Call Number	UA @ admin @ c:irua:157564			Serial	5264
Permanent link to this record



	Author	Dabral, A.; Lu, A.K.A.; Chiappe, D.; Houssa, M.; Pourtois, G.
	Title	A systematic study of various 2D materials in the light of defect formation and oxidation			Type	A1 Journal article
	Year	2019	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
	Volume	21	Issue	3	Pages	1089-1099
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The thermodynamic aspects of various 2D materials are explored using Density Functional Theory (DFT). Various metal chalcogenides (MX2, M = metal, chalcogen X = S, Se, Te) are investigated with respect to their interaction and stability under different ambient conditions met in the integration process of a transistor device. Their interaction with high- dielectrics is also addressed, in order to assess their possible integration in Complementary Metal Oxide Semiconductor (CMOS) field effect transistors. 2D materials show promise for high performance nanoelectronic devices, but the presence of defects (vacancies, grain boundaries,...) can significantly impact their electronic properties. To assess the impact of defects, their enthalpies of formation and their signature levels in the density of states have been studied. We find, consistently with literature reports, that chalcogen vacancies are the most likely source of defects. It is shown that while pristine 2D materials are in general stable whenever set in contact with different ambient atmospheres, the presence of defective sites affects the electronic properties of the 2D materials to varying degrees. We observe that all the 2D materials studied in the present work show strong reactivity towards radical oxygen plasma treatments while reactivity towards other common gas phase chemical such as O-2 and H2O and groups present at the high- surface varies significantly between species. While energy band-gaps, effective masses and contact resistivities are key criteria in selection of 2D materials for scaled CMOS and tunneling based devices, the phase and ambient stabilities might also play a very important role in the development of reliable nanoelectronic applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000456147000009	Publication Date	2018-12-19
	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	1	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 4.123
	Call Number	UA @ admin @ c:irua:156715			Serial	5267
Permanent link to this record