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	Author	Nematollahi, P.; Esrafili, M.D.; Neyts, E.C.
	Title	The role of healed N-vacancy defective BC₂N sheet and nanotube by NO molecule in oxidation of NO and CO gas molecules			Type	A1 Journal article
	Year	2018	Publication	Surface science : a journal devoted to the physics and chemistry of interfaces	Abbreviated Journal	Surf Sci
	Volume	672-673	Issue	672-673	Pages	39-46
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this study, the healing of N-vacancy boron carbonitride nanosheet (NV-BC2NNS) and nanotube (NV-BC2NNT) by NO molecule is studied by means of density functional theory calculations. Two different N-vacancies are considered in each of these structures in which the vacancy site is surrounded by either three B-atoms (NB) or by two B- and one C-atom (NBC). By means of the healed BC2NNS and BC2NNT as a support, the removal of two toxic gas molecules (NO and CO) are applicable. It should be noted that the obtained energy barriers of both healing and oxidizing processes are significantly lower than those of graphene, carbon nanotubes or boron nitride nanostructures. Also, at the end of the oxidation process, the pure BC2NNS or BC2NNT is obtained without any additional defects. Therefore, by using this method, we can considerably purify the defective BC2NNS/BC2NNT. Moreover, according to the thermochemistry calculations we can further confirm that the healing process of the NV-BC2NNS and NV-BC2NNT by NO are feasible at room temperature. So, we can claim that this study could be very helpful in both purifying the defective BC2NNS/BC2NNT while in the same effort removing toxic NO and CO gases.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000432614700007	Publication Date	2018-03-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0039-6028	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.062	Times cited	1	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 2.062
	Call Number	UA @ lucian @ c:irua:151478			Serial	5044
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	Author	Kalashami, H.G.; Neek-Amal, M.; Peeters, F.M.
	Title	Slippage dynamics of confined water in graphene oxide capillaries			Type	A1 Journal article
	Year	2018	Publication	Physical review materials	Abbreviated Journal
	Volume	2	Issue	7	Pages	074004
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	College Park, Md	Editor
	Language		Wos	000439435200006	Publication Date	2018-07-23
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2475-9953	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes	; We acknowledge fruitful discussions with Andre K. Geim, Irina Grigorieva, and Rahul R. Nair. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ;			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:152409UA @ admin @ c:irua:152409			Serial	5128
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	Author	Vishwakarma, M.; Thota, N.; Karakulina, O.; Hadermann, J.; Mehta, B.R.
	Title	Role of graphene inter layer on the formation of the MoS₂ – CZTS interface during growth			Type	P1 Proceeding
	Year	2018	Publication	(icc-2017)	Abbreviated Journal
	Volume		Issue		Pages
	Keywords	P1 Proceeding; Electron microscopy for materials research (EMAT)
	Abstract	The growth of MoS2 layer near the Mo/CZTS interface during sulphurization process can have an impact on back contact cell parameters (series resistance and fill factor) depending upon the thickness or quality of MoS2. This study reports the dependence of the thickness of interfacial MoS2 layer on the growth of graphene at the interface between molybdenum back contact and deposited CZTS layer. The graphene layer reduces the accumulation of Zn/ZnS, Sn/SnO2 and formation of pores near the MoS2-CZTS interface. The use of graphene as interface layer can be potentially useful for improving the quality of Mo/MoS2/CZTS interface.
	Address
	Corporate Author				Thesis
	Publisher	Amer inst physics	Place of Publication	Melville	Editor
	Language		Wos	000436313003046	Publication Date	2018-05-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume	1953	Series Issue		Edition
	ISSN	978-0-7354-1648-2; 0094-243x; 0094-243x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access	OpenAccess
	Notes	; The authors acknowledge support provided by DST project. M.V. acknowledges IIT Delhi for MHRD fellowship. Prof. B. R. Mehta acknowledges the support of the Schlumberger chair professorship. ;			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:153203			Serial	5126
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	Author	Contino, A.; Ciofi, I.; Wu, X.; Asselberghs, I.; Celano, U.; Wilson, C.J.; Tokei, Z.; Groeseneken, G.; Sorée, B.
	Title	Modeling of edge scattering in graphene interconnects			Type	A1 Journal article
	Year	2018	Publication	IEEE electron device letters	Abbreviated Journal	Ieee Electr Device L
	Volume	39	Issue	7	Pages	1085-1088
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Graphene interconnects are being considered as a promising candidate for beyond CMOS applications, thanks to the intrinsic higher carrier mobility, lower aspect ratio and better reliability with respect to conventional Cu damascene interconnects. However, similarly to Cu, line edge roughness can seriously affect graphene resistance, something which must be taken into account when evaluating the related performance benefits. In this letter, we present a model for assessing the impact of edge scattering on the resistance of graphene interconnects. Our model allows the evaluation of the total mean free path in graphene lines as a function of graphene width, diffusive scattering probability and edge roughness standard deviation and autocorrelation length. We compare our model with other models from literature by benchmarking them using the same set of experimental data. We show that, as opposed to the considered models from literature, our model is capable to describe the mobility drop with scaling caused by significantly rough edges.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000437087400041	Publication Date	2018-05-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0741-3106	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.048	Times cited	1	Open Access
	Notes	; ;			Approved	Most recent IF: 3.048
	Call Number	UA @ lucian @ c:irua:152465UA @ admin @ c:irua:152465			Serial	5114
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	Author	Aierken, Y.; Leenaerts, O.; Peeters, F.M.
	Title	First-principles study of the stability and edge stress of nitrogen-decorated graphene nanoribbons			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	23	Pages	235436
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Edge functionalization of graphene nanoribbons with nitrogen atoms for various adatom configurations at armchair and zigzag edges are investigated. We provide comprehensive information on the electronic and magnetic properties and investigate the stability of the various systems. Two types of rippling of the nanoribbons, namely edge and bulk rippling depending on the sign of edge stress induced at the edge, are found. They are found to play the decisive role for the stability of the structures. We also propose a type of edge decoration in which every third nitrogen adatom at the zigzag edges is replaced by an oxygen atom. In this way, the electron count is compatible with a full aromatic structure, leading to additional stability and a disappearance of magnetism that is usually associated with zigzag nanoribbons.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000436192300006	Publication Date	2018-06-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	1	Open Access
	Notes	; This work was supported by the Fonds Wetenschappelijk Onderzoek (FWO-Vl). The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Research Foundation – Flanders (FWO) and the Flemish Government – department EWI. ;			Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:152478UA @ admin @ c:irua:152478			Serial	5104
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	Author	Zhang, Q.-Z.; Bogaerts, A.
	Title	Capacitive electrical asymmetry effect in an inductively coupled plasma reactor			Type	A1 Journal Article
	Year	2018	Publication	Plasma Sources Science & Technology	Abbreviated Journal	Plasma Sources Sci T
	Volume	27	Issue	10	Pages	105019
	Keywords	A1 Journal Article; electrical asymmetry effect, inductively coupled plasma, self-bias, independent control of the ion fluxes and ion energy; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
	Abstract	The electrical asymmetry effect is realized by applying multiple frequency power sources (13.56 MHz and 27.12 MHz) to a capacitively biased substrate electrode in a specific inductively coupled plasma reactor. On the one hand, by adjusting the phase angle θ between the multiple frequency power sources, an almost linear self-bias develops on the substrate electrode, and consequently the ion energy can be well modulated, while the ion flux stays constant within a large range of θ. On the other hand, the plasma density and ion flux can be significantly modulated by tuning the inductive power supply, while only inducing a small change in the self- bias. Independent control of self-bias/ion energy and ion flux can thus be realized in this specific inductively coupled plasma reactor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000448434100001	Publication Date	2018-10-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1361-6595	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.302	Times cited	1	Open Access	Not_Open_Access
	Notes	We acknowledge financial support from the European Marie Skłodowska-Curie Individual Fellowship within H2020 (Grant Agreement 702604). This work was carried out in part using the Turing HPC infrastructure at the CalcUA core facility of the Universiteit Antwerpen, a division of the Flemish Supercomputer Center VSC, funded by the Hercules Foundation, the Flemish Government (department EWI) and the University of Antwerp.			Approved	Most recent IF: 3.302
	Call Number	PLASMANT @ plasmant @c:irua:155506			Serial	5069
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	Author	Razzokov, J.; Naderi, S.; van der Schoot, P.
	Title	Nanoscale insight into silk-like protein self-assembly: effect of design and number of repeat units			Type	A1 Journal article
	Year	2018	Publication	Physical biology	Abbreviated Journal	Phys. Biol.
	Volume	15	Issue	6	Pages	066010
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	By means of replica exchange molecular dynamics simulations we investigate how the length of a silk-like, alternating diblock oligopeptide influences its secondary and quaternary structure. We carry out simulations for two protein sizes consisting of three and five blocks, and study the stability of a single protein, a dimer, a trimer and a tetramer. Initial configurations of our simulations are β-roll and β-sheet structures. We find that for the triblock the secondary and quaternary structures upto and including the tetramer are unstable: the proteins melt into random coil structures and the aggregates disassemble either completely or partially. We attribute this to the competition between conformational entropy of the proteins and the formation of hydrogen bonds and hydrophobic interactions between proteins. This is confirmed by our simulations on the pentablock proteins, where we find that, as the number of monomers in the aggregate increases, individual monomers form more hydrogen bonds whereas their solvent accessible surface area decreases. For the pentablock β-sheet protein, the monomer and the dimer melt as well, although for the β-roll protein only the monomer melts. For both trimers and tetramers remain stable. Apparently, for these the entropy loss of forming β-rolls and β-sheets is compensated for in the free-energy gain due to the hydrogen-bonding and hydrophobic interactions. We also find that the middle monomers in the trimers and tetramers are conformationally much more stable than the ones on the top and the bottom. Interestingly, the latter are more stable on the tetramer than on the trimer, suggesting that as the number of monomers increases protein-protein interactions cooperatively stabilize the assembly. According to our simulations, the β-roll and β-sheet aggregates must be approximately equally stable.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000444467000001	Publication Date	2018-09-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1478-3975	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access	OpenAccess
	Notes	The work of J Razzokov is supported by Jepa-Limmat Foundation. We thank Sarah Harris (University of Leeds) and Alexey Lyulin (Eindhoven University of Technology), for useful discussions and advice on the simulations. Eindhoven University of Technology is thanked by J Razzokov for their hospitality. We are grateful for computer time provided by the Dutch National Computing Facilities at the LISA facility at SURFsara. The work of S Naderi forms part of the research program of the Dutch Polymer Institute (DPI, Project No. 698). This work was supported by NWO Exacte Wetenschappen (Physical Sciences) for the use of supercomputer facilities, with financial support (Netherlands Organization for Scientific Research, NWO).			Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @c:irua:153803c:irua:153596			Serial	5050
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	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
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	Author	Sankaran, K.J.; Deshmukh, S.; Korneychuk, S.; Yeh, C.-J.; Thomas, J.P.; Drijkoningen, S.; Pobedinskas, P.; Van Bael, M.K.; Verbeeck, J.; Leou, K.-C.; Leung, K.-T.; Roy, S.S.; Lin, I.-N.; Haenen, K.
	Title	Fabrication, microstructure, and enhanced thermionic electron emission properties of vertically aligned nitrogen-doped nanocrystalline diamond nanorods			Type	A1 Journal article
	Year	2018	Publication	MRS communications	Abbreviated Journal	Mrs Commun
	Volume	8	Issue	3	Pages	1311-1320
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Vertically aligned nitrogen-doped nanocrystalline diamond nanorods are fabricated from nitrogen-doped nanocrystalline diamond films using reactive ion etching in oxygen plasma. These nanorods show enhanced thermionic electron emission (TEE) characteristics, viz.. a high current density of 12.0 mA/cm(2) and a work function value of 4.5 eV with an applied voltage of 3 Vat 923 K. The enhanced TEE characteristics of these nanorods are ascribed to the induction of nanographitic phases at the grain boundaries and the field penetration effect through the local field enhancement from nanorods owing to a high aspect ratio and an excellent field enhancement factor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000448887900089	Publication Date	2018-08-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2159-6859; 2159-6867	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.01	Times cited	1	Open Access
	Notes	The authors thank the financial support of the Research Foundation Flanders (FWO) via Research Grant 12I8416N and Research Project 1519817N, and the Methusalem “NANO” network. The Hercules Foundation Flanders is acknowledged for financial support of the Raman equipment. The Qu-Ant-EM microscope used for the TEM experiments was partly funded by the Hercules fund from the Flemish Government. S.K. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. K.J. Sankaran and P. Pobedinskas are Postdoctoral Fellows of FWO.			Approved	Most recent IF: 3.01
	Call Number	UA @ admin @ c:irua:155521			Serial	5364
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	Author	Eliaerts, J.; Meert, N.; Van Durme, F.; Samyn, N.; De Wael, K.; Dardenne, P.
	Title	Practical tool for sampling and fast analysis of large cocaine seizures			Type	A1 Journal article
	Year	2018	Publication	Drug testing and analysis	Abbreviated Journal	Drug Test Anal
	Volume	10	Issue	6	Pages	1039-1042
	Keywords	A1 Journal article; Pharmacology. Therapy; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Large quantities of illicit drugs are frequently seized by law enforcement. In such cases, a representative number of samples needs to be quickly examined prior to destruction. No procedure has yet been set up which rapidly provides information regarding the homogeneity of the samples, the presence of controlled substances and the degree of purity. This study establishes a protocol for fast analysis of cocaine and its most common cutting agent, levamisole, in large seizures. The protocol is based on a hypergeometric sampling approach combined with FTIR spectrometry and Support Vector Machines (SVM) algorithms as analysis methods. To demonstrate the practical use of this approach, five large cocaine seizures (consisting between 45 and 85 units) were analysed simultaneously with GC-MS, GC-FID and a portable FTIR spectrometer using Attenuated Total Reflectance (ATR) sampling combined with SVM models. According to the hypergeometric sampling plan of the Drugs Working Group ENFSI guidelines, the required number of subsamples ranged between 19 and 23. Considering the identification analyses, the SVM models detected cocaine and levamisole in all subsamples of cases 1 to 5 (100% correct classification), which was confirmed by GC-MS analysis. Considering the quantification analyses, the SVM models were able to estimate the cocaine and levamisole content in each subsample, compared to GC-FID data. The developed strategy is easy, cost effective and provides immediate information about both the presence and concentration of cocaine and levamisole. By using this new strategy, the number of confirmation analyses with laborious and expensive chromatographic techniques could be significantly reduced.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000435270300016	Publication Date	2018-02-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1942-7603; 1942-7611	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.469	Times cited	1	Open Access
	Notes	; Belgian Science Policy Office (BELSPO), Grant/Award Number: WE/49/N14-O14 ;			Approved	Most recent IF: 3.469
	Call Number	UA @ admin @ c:irua:148760			Serial	5781
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	Author	Biely, K.; Maes, D.; Van Passel, S.
	Title	Market power extended : from Foucault to Meadows			Type	A1 Journal article
	Year	2018	Publication	Sustainability	Abbreviated Journal	Sustainability-Basel
	Volume	10	Issue	8	Pages	2843-23
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Market power is a complex matter that is approximated with quantitative indicators within economics. However, these indicators may not fully capture market power, or they may fail to identify it, although it may be present. Moreover, a quantitative approach restricts market power as a concept, impeding the ability to discuss its relationship with other concepts, such as sustainability. This paper extends the definition of market power, following Foucaults understanding of power and the associated theoretical discussions of power from different disciplines. We extended Foucaults work by including systems thinking to capture the importance of the prevalent systems paradigm, which is the ultimate initiator of action. Apart from distinguishing different elements of power, we also integrate an instrumental view on the elements of power. The developed frame allows us to understand the dynamic character of power as a force that strives to maintain or ameliorate the position of the paradigm that it serves. Based on this frame, we outline how this extended understanding of power can be used to analyze market power itself, and its relation with sustainability.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000446767700259	Publication Date	2018-08-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2071-1050	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	1.789	Times cited	1	Open Access
	Notes	; This research was performed within the frame of the HORIZON 2020 project SUFISA with the grant agreement number 635577. ;			Approved	Most recent IF: 1.789
	Call Number	UA @ admin @ c:irua:154139			Serial	6224
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	Author	Biely, K.; Maes, D.; Van Passel, S.
	Title	The idea of weak sustainability is illegitimate			Type	A1 Journal article
	Year	2018	Publication	Environment, development and sustainability	Abbreviated Journal
	Volume	20	Issue	1	Pages	223-232
	Keywords	A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
	Abstract	Since the introduction of the sustainability challenge, scientists disagree over the interpretation of the term sustainability. Weak and strong sustainability are the two main interpretations of sustainability, which are opposing each other. Some researchers stated that the interpretation of the term depends on the context; others disagree pointing out that it always implies the meaning of continuation. The term sustainability can be used as attribute, which adds a certain characteristic to the noun. If something can be attributed as being sustainable, it can also be unsustainable. The sustainability challenge consists of shifting from the current unsustainable towards a sustainable system. This paper outlines that the weak sustainability term is illegitimate, as it leads to a contradiction with the acknowledged assumption that the current state is unsustainable. This contradiction is revealed through an analysis of the occurrence of decoupling in agriculture: Agricultural land use could be decoupled from agricultural production, but only with the trade-off of massive increases in fertilizer, pesticide, energy and water usage. This paper outlines an inherent inconsistency within the ongoing discussion about the interpretation of sustainability. Through identifying the invalidity of the weak sustainability interpretation the focus can be shifted form the discourse to the sustainability challenge itself.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000423142700011	Publication Date	2016-10-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1387-585x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	1	Open Access
	Notes	; The authors would like to thank the reviewers for their time and their comments on the draft version. This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:149043			Serial	6212
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	Author	Vanschoenwinkel, J.; Van Passel, S.
	Title	Climate response of rainfed versus irrigated farms: the bias of farm heterogeneity in irrigation			Type	A1 Journal article
	Year	2018	Publication	Climatic Change	Abbreviated Journal	Climatic Change
	Volume	147	Issue	1-2	Pages	225-234
	Keywords	A1 Journal article; Engineering Management (ENM)
	Abstract	Researchers who do not take into account farm heterogeneity in implementing specific climate change adaptation options might significantly bias their findings. To prove this point, this paper focusses on irrigation as an adaptation option to climate change and highlights the fact that there is no such thing as “irrigation.” Instead, different farms consider water management options across a spectrum that ranges from purely rainfed farms to purely irrigated farms with in between the extreme practices such as supplemental irrigation, water conservation practices, and different irrigation techniques. Accounting for such differences is necessary, yet difficult due to a lack of farm-specific data on water management and irrigation. This paper uses unique Farm Accountancy Data Network data of Western European farmers on the proportion of farmland that each farm irrigates. Unlike previous work, this allows taking into account some within-irrigation heterogeneity instead of simply categorizing farms as being “irrigated.” We estimate and compare climate response models based on the Ricardian cross-sectional method for a large range of irrigation categories. The results give insights into how the farm irrigation climate response can be significantly different depending on how irrigation is defined. This proves that ignoring within-adaptation differences when comparing non-adaptation with adaptation (in this case, rainfed versus irrigated agriculture) might lead to biased conclusions with regard to effectiveness of adaptation strategies. We therefore argue that it might be more relevant to understand at which point and under which circumstances irrigated agriculture is more or less beneficial than rainfed agriculture.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000425959700017	Publication Date	2018-01-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0165-0009	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor	3.496	Times cited	1	Open Access
	Notes	; This paper was supported by the Horizon 2020 project SUFISA (Grant Agreement No. 635577). ;			Approved	Most recent IF: 3.496
	Call Number	UA @ admin @ c:irua:149895			Serial	6166
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	Author	de de Meux, A.J.; Pourtois, G.; Genoe, J.; Heremans, P.
	Title	Method to quantify the delocalization of electronic states in amorphous semiconductors and its application to assessing charge carrier mobility of p-type amorphous oxide semiconductors			Type	A1 Journal article
	Year	2018	Publication	Physical review B	Abbreviated Journal	Phys Rev B
	Volume	97	Issue	4	Pages	045208
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Amorphous semiconductors are usually characterized by a low charge carrier mobility, essentially related to their lack of long-range order. The development of such material with higher charge carrier mobility is hence challenging. Part of the issue comes from the difficulty encountered by first-principles simulations to evaluate concepts such as the electron effective mass for disordered systems since the absence of periodicity induced by the disorder precludes the use of common concepts derived from condensed matter physics. In this paper, we propose a methodology based on first-principles simulations that partially solves this problem, by quantifying the degree of delocalization of a wave function and of the connectivity between the atomic sites within this electronic state. We validate the robustness of the proposed formalism on crystalline and molecular systems and extend the insights gained to disordered/amorphous InGaZnO4 and Si. We also explore the properties of p-type oxide semiconductor candidates recently reported to have a low effective mass in their crystalline phases [G. Hautier et al., Nat. Commun. 4, 2292 (2013)]. Although in their amorphous phase none of the candidates present a valence band with delocalization properties matching those found in the conduction band of amorphous InGaZnO4, three of the seven analyzed materials show some potential. The most promising candidate, K2Sn2O3, is expected to possess in its amorphous phase a slightly higher hole mobility than the electron mobility in amorphous silicon.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	New York, N.Y	Editor
	Language		Wos	000423427600005	Publication Date	2018-01-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2469-9969; 2469-9950	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.836	Times cited	2	Open Access	OpenAccess
	Notes				Approved	Most recent IF: 3.836
	Call Number	UA @ lucian @ c:irua:149318			Serial	4943
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	Author	Roxana Vlad, V.; Bartolome, E.; Vilardell, M.; Calleja, A.; Meledin, A.; Obradors, X.; Puig, T.; Ricart, S.; Van Tendeloo, G.; Usoskin, A.; Lee, S.; Petrykin, V.; Molodyk, A.
	Title	Inkjet printing multideposited YBCO on CGO/LMO/MgO/Y₂O₃/Al₂O₃/Hastelloy tape for 2G-coated conductors			Type	A1 Journal article
	Year	2018	Publication	IEEE transactions on applied superconductivity	Abbreviated Journal
	Volume	28	Issue	4	Pages	6601805
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We present the preparation of a new architecture of coated conductor by Inkjet printing of low fluorine YBa2Cu3O7-x (YBCO) on top of SuperOx tape: CGO/LMO/IBAD-MgO/Y2O3/Al-2 O-3/Hastelloy. A five-layered multideposited, 475-nm-thick YBCO film was structurally and magnetically characterized. A good texture was achieved using this combination of buffer layers, requiring only a 30-nm-thin ion-beam-assisted deposition (IBAD)-MgO layer. The LF-YBCO CC reaches self-field critical current density values of J(c)(GB) similar to NJ 15.9 MA/cm(2) (5 K), similar to 1.23 MA/cm(2) (77 K) corresponding to an I-c (77 K) = 58.4 A/cm-width. Inkjet printing offers a flexible and cost effective method for YBCO deposition, allowing patterning of structures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000429010900001	Publication Date	2018-02-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1051-8223	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.288	Times cited	2	Open Access	Not_Open_Access
	Notes	; This work was performed within the framework of the EUROTAPES Project FP7-NMP.2011.2.2-1 under Grant280432, funded by the EU. ICMAB research was financed by the Ministry of Economy and Competitiveness, and FEDER funds under Projects MAT2011-28874-C02-01, MAT2014-51778-C2-1-R, ENE2014-56109-C3-3-R, and Consolider Nanoselect CSD2007-00041, and by Generalitat de Catalunya (2009 SGR 770, 2015 SGR 753, and Xarmae). ICMAB acknowledges support from Severo Ochoa Program (MINECO) under Grant SEV-2015-0496. ;			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:150711			Serial	4971
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	Author	Zhang, H.; Gauquelin, N.; McMahon, C.; Hawthorn, D.G.; Botton, G.A.; Wei, J.Y.T.
	Title	Synthesis of high-oxidation Y-Ba-Cu-O phases in superoxygenated thin films			Type	A1 Journal article
	Year	2018	Publication	Physical review materials	Abbreviated Journal
	Volume	2	Issue	3	Pages	033803
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	It is known that solid-state reaction in high-pressure oxygen can stabilize high-oxidation phases of Y-Ba-Cu-O superconductors in powder form. We extend this superoxygenation concept of synthesis to thin films which, due to their large surface-to-volume ratio, are more reactive thermodynamically. Epitaxial thin films of YBa2Cu3O7-delta grown by pulsed laser deposition are annealed at up to 700 atm O-2 and 900 degrees C, in conjunction with Cu enrichment by solid-state diffusion. The films show the clear formation of Y2Ba4Cu7O15-delta and Y2Ba4Cu8O16 as well as regions of YBa2Cu5O9-delta and YBa2Cu6O10-delta phases, according to scanning transmission electron microscopy, x-ray diffraction, and x-ray absorption spectroscopy. Similarly annealed YBa2Cu3O7-delta powders show no phase conversion. Our results demonstrate a route of synthesis towards discovering more complex phases of cuprates and other superconducting oxides.
	Address
	Corporate Author				Thesis
	Publisher	American Physical Society	Place of Publication	College Park, Md	Editor
	Language		Wos	000428244900004	Publication Date	2018-03-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2475-9953	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	2	Open Access	Not_Open_Access
	Notes	; This work is supported by NSERC, CFI-OIT, and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by the Canada Foundation for Innovation under the Major Science Initiative program, McMaster University, and NSERC. The XAS work was performed at the Canadian Light Source, which is supported by NSERC, NRC, CIHR, and the University of Saskatchewan. ;			Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:150829			Serial	4982
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	Author	Grimaud, A.; Iadecola, A.; Batuk, D.; Saubanere, M.; Abakumov, A.M.; Freeland, J.W.; Cabana, J.; Li, H.; Doublet, M.-L.; Rousse, G.; Tarascon, J.-M.
	Title	Chemical activity of the peroxide/oxide redox couple : case study of Ba₅Ru₂O₁₁ in aqueous and organic solvents			Type	A1 Journal article
	Year	2018	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	30	Issue	11	Pages	3882-3893
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The finding that triggering the redox activity of oxygen ions within the lattice of transition metal oxides can boost the performances of materials used in energy storage and conversion devices such as Li-ion batteries or oxygen evolution electrocatalysts has recently spurred intensive and innovative research in the field of energy. While experimental and theoretical efforts have been critical in understanding the role of oxygen nonbonding states in the redox activity of oxygen ions, a clear picture of the redox chemistry of the oxygen species formed upon this oxidation process is still missing. This can be, in part, explained by the complexity in stabilizing and studying these species once electrochemically formed. In this work, we alleviate this difficulty by studying the phase Ba5Ru2O11, which contains peroxide O-2(2-) groups, as oxygen evolution reaction electrocatalyst and Li-ion battery material. Combining physical characterization and electrochemical measurements, we demonstrate that peroxide groups can easily be oxidized at relatively low potential, leading to the formation of gaseous dioxygen and to the instability of the oxide. Furthermore, we demonstrate that, owing to the stabilization at high energy of peroxide, the high-lying energy of the empty sigma* antibonding O-O states limits the reversibility of the electrochemical reactions when the O-2(2-)/O2- redox couple is used as redox center for Li-ion battery materials or as OER redox active sites. Overall, this work suggests that the formation of true peroxide O-2(2-) states are detrimental for transition metal oxides used as OER catalysts and Li-ion battery materials. Rather, oxygen species with O-O bond order lower than 1 would be preferred for these applications.
	Address
	Corporate Author				Thesis
	Publisher	American Chemical Society	Place of Publication	Washington, D.C	Editor
	Language		Wos	000435416600038	Publication Date	2018-05-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	2	Open Access	Not_Open_Access
	Notes	; We thank S. Belin of the ROCK beamline (financed by the French National Research Agency (ANR) as a part of the “Investissements d'Avenir” program, reference: ANR-10-EQPX-45; proposal no. 20160095) of synchrotron SOLEIL for her assistance during XAS measurements. Authors would also like to thank V. Nassif for her assistance on the D1B beamline. A.G, G.R, and J.-M.T. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC Grant Project 670116-ARPEMA. ;			Approved	Most recent IF: 9.466
	Call Number	UA @ lucian @ c:irua:151980			Serial	5016
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	Author	Simchi, H.; Simchi, M.; Fardmanesh, M.; Peeters, F.M.
	Title	Phase transition and field effect topological quantum transistor made of monolayer MoS₂			Type	A1 Journal article
	Year	2018	Publication	Journal of physics : condensed matter	Abbreviated Journal	J Phys-Condens Mat
	Volume	30	Issue	23	Pages	235303
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We study topological phase transitions and topological quantum field effect transistor in monolayer molybdenum disulfide (MoS2) using a two-band Hamiltonian model. Without considering the quadratic (q(2)) diagonal term in the Hamiltonian, we show that the phase diagram includes quantum anomalous Hall effect, quantum spin Hall effect, and spin quantum anomalous Hall effect regions such that the topological Kirchhoff law is satisfied in the plane. By considering the q(2) diagonal term and including one valley, it is shown that MoS2 has a non-trivial topology, and the valley Chern number is non-zero for each spin. We show that the wave function is (is not) localized at the edges when the q(2) diagonal term is added (deleted) to (from) the spin-valley Dirac mass equation. We calculate the quantum conductance of zigzag MoS2 nanoribbons by using the nonequilibrium Green function method and show how this device works as a field effect topological quantum transistor.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000432821600001	Publication Date	2018-04-26
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0953-8984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.649	Times cited	2	Open Access
	Notes	; ;			Approved	Most recent IF: 2.649
	Call Number	UA @ lucian @ c:irua:151457UA @ admin @ c:irua:151457			Serial	5035
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	Author	Heyne, M.H.; de Marneffe, J.-F.; Radu, I.; Neyts, E.C.; De Gendt, S.
	Title	Thermal recrystallization of short-range ordered WS₂ films			Type	A1 Journal article
	Year	2018	Publication	Journal of vacuum science and technology: A: vacuum surfaces and films	Abbreviated Journal	J Vac Sci Technol A
	Volume	36	Issue	5	Pages	05g501
	Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	The integration of van der Waals materials in nanoelectronic devices requires the deposition of few-layered MX2 films with excellent quality crystals covering a large area. In recent years, astonishing progress in the monolayer growth of WS2 and MoS2 was demonstrated, but multilayer growth resulted often in separated triangular or hexagonal islands. These polycrystalline films cannot fully employ the specific MX2 properties since they are not connected in-plane to the other domains. To coalesce separated islands, ultrahigh-temperature postdeposition anneals in H2S are applied, which are not compatible with bare silicon substrates. Starting from the deposition of stoichiometric short-ordered films, the present work studies different options for subsequent high-temperature annealing in an inert atmosphere to form crystalline films with large grains from stoichiometric films with small grains. The rapid thermal annealing, performed over a few seconds, is compared to excimer laser annealing in the nanosecond range, which are both able to crystallize the thin WS2. The WS2 recrystallization temperature can be lowered using metallic crystallization promoters (Co and Ni). The best result is obtained using a Co cap, due to the circumvention of Co and S binary phase formation below the eutectic temperature. The recrystallization above a critical temperature is accompanied by sulfur loss and 3D regrowth. These undesired effects can be suppressed by the application of a dielectric capping layer prior to annealing. A SiO2 cap can suppress the sulfur loss successfully during annealing and reveals improved material quality in comparison to noncapped films Published by the AVS.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000444033200002	Publication Date	2018-07-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0734-2101	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.374	Times cited	2	Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 1.374
	Call Number	UA @ lucian @ c:irua:153671			Serial	5134
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	Author	Gul, A.; Bacaksiz, C.; Unsal, E.; Akbali, B.; Tomak, A.; Zareie, H.M.; Sahin, H.
	Title	Theoretical and experimental investigation of conjugation of 1,6-hexanedithiol on MoS₂			Type	A1 Journal article
	Year	2018	Publication	Materials Research Express	Abbreviated Journal	Mater Res Express
	Volume	5	Issue	3	Pages	036415
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We report an experimental and theoretical investigation of conjugation of 1,6-Hexaneditihiol (HDT) on MoS2 which is prepared by mixing MoS2 structure and HDT molecules in proper solvent. Raman spectra and the calculated phonon bands reveal that the HDT molecules bind covalently to MoS2. Surface morphology of MoS2/HDTstructure is changed upon conjugation ofHDTon MoS2 and characterized by using Scanning Electron Microscope (SEM). Density Functional Theory (DFT) based calculations show that HOMO-LUMO band gap of HDT is altered after the conjugation and two-S binding (handle-like) configuration is energetically most favorable among three different structures. This study displays that the facile thiol functionalization process of MoS2 is promising strategy for obtaining solution processable MoS2.
	Address
	Corporate Author				Thesis
	Publisher	IOP Publishing	Place of Publication	Bristol	Editor
	Language		Wos	000428781400003	Publication Date	2018-03-07
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2053-1591	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.068	Times cited	2	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). HS acknowledges financial support from the TUBITAK under the project number 116C073. HS acknowledges support from Bilim Akademisi-The Science Academy, Turkey under the BAGEP program. ;			Approved	Most recent IF: 1.068
	Call Number	UA @ lucian @ c:irua:154607UA @ admin @ c:irua:154607			Serial	5133
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	Author	Dabral, A.; Pourtois, G.; Sankaran, K.; Magnus, W.; Yu, H.; de de Meux, A.J.; Lu, A.K.A.; Clima, S.; Stokbro, K.; Schaekers, M.; Collaert, N.; Horiguchi, N.; Houssa, M.
	Title	Study of the intrinsic limitations of the contact resistance of metal/semiconductor interfaces through atomistic simulations			Type	A1 Journal article
	Year	2018	Publication	ECS journal of solid state science and technology	Abbreviated Journal	Ecs J Solid State Sc
	Volume	7	Issue	6	Pages	N73-N80
	Keywords	A1 Journal article; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	In this contribution, we report a fundamental study of the factors that set the contact resistivity between metals and highly doped n-type 2D and 3D semiconductors. We investigate the case of n-type doped Si contacted with amorphous TiSi combining first principles calculations with Non-Equilibrium Green functions transport simulations. The evolution of the intrinsic contact resistivity with the doping concentration is found to saturate at similar to 2 x 10(-10) Omega.cm(2) for the case of TiSi and imposes an intrinsic limit to the ultimate contact resistance achievable for n-doped Silamorphous-TiSi (aTiSi). The limit arises from the intrinsic properties of the semiconductors and of the metals such as their electron effective masses and Fermi energies. We illustrate that, in this regime, contacting heavy electron effective mass metals with semiconductor helps reducing the interface intrinsic contact resistivity. This observation seems to hold true regardless of the 3D character of the semiconductor, as illustrated for the case of three 2D semiconducting materials, namely MoS2, ZrS2 and HfS2. (C) The Author(s) 2018. Published by ECS.
	Address
	Corporate Author				Thesis
	Publisher	Electrochemical society	Place of Publication	Pennington (N.J.)	Editor
	Language		Wos	000440836000004	Publication Date	2018-05-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2162-8769; 2162-8777	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.787	Times cited	2	Open Access	Not_Open_Access
	Notes	; The authors thank the imec core CMOS program members, the European Commission, its TAKEMI5 ECSEL research project and the local authorities for their support. ;			Approved	Most recent IF: 1.787
	Call Number	UA @ lucian @ c:irua:153205UA @ admin @ c:irua:153205			Serial	5130
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	Author	Morozov, V.; Deyneko, D.; Basoyich, O.; Khaikina, E.G.; Spassky, D.; Morozov, A.; Chernyshev, V.; Abakumov, A.; Hadermann, J.
	Title	Incommensurately modulated structures and luminescence properties of the Ag_xSm_(2-x)/3WO₄ (x=0.286, 0.2) scheelites as thermographic phosphors			Type	A1 Journal article
	Year	2018	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	30	Issue	14	Pages	4788-4798
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Ag+ for Sm3+ substitution in the scheelite-type AgxSm(2-x)/3 square(1-2x)/3WO4 tungstates has been investigated for its influence on the cation-vacancy ordering and luminescence properties. A solid state method was used to synthesize the x = 0.286 and x = 0.2 compounds, which exhibited (3 + 1)D incommensurately modulated structures in the transmission electron microscopy study. Their structures were refined using high resolution synchrotron powder X-ray diffraction data. Under near-ultraviolet light, both compounds show the characteristic emission lines for (4)G(5/2) -> H-6(J) (J = 5/2, 7/2, 9/2, and 11/2) transitions of the Sm3+ ions in the range 550-720 nm, with the J = 9/2 transition at the similar to 648 nm region being dominant for all photoluminescence spectra. The intensities of the (4)G(5/2) -> H-6(9/2) and (4)G(5/2) -> H-6(7/2) bands have different temperature dependencies. The emission intensity ratios (R) for these bands vary reproducibly with temperature, allowing the use of these materials as thermographic phosphors.
	Address
	Corporate Author				Thesis
	Publisher	American Chemical Society	Place of Publication	Washington, D.C	Editor
	Language		Wos	000440105500037	Publication Date	2018-06-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.466	Times cited	2	Open Access	Not_Open_Access
	Notes	; This research was supported by FWO (Project G039211N), Flanders Research Foundation. The research was carried out within the state assignment of FASO of Russia (Themes No. 0339-2016-0007). V.M. thanks the Russian Foundation for Basic Research (Grant 18-03-00611) for financial support. E.G.K. and O.B. acknowledge financial support from the Russian Foundation for Basic Research (Grant 16-03-00510). D.D. thanks the Foundation of the Russian Federation President (Grant MK-3502.2018.5) for financial support. We are grateful to the ESRF for granting the beamtime. V.C. is grateful for the financial support of the Russian Ministry of Science and Education (Project No. RFMEFI61616X0069). We are grateful to the ESRF for the access to ID22 station (experiment MA-3313). ;			Approved	Most recent IF: 9.466
	Call Number	UA @ lucian @ c:irua:153156			Serial	5107
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	Author	Aydin, H.; Bacaksiz, C.; Yagmurcukardes, N.; Karakaya, C.; Mermer, O.; Can, M.; Senger, R.T.; Sahin, H.; Selamet, Y.
	Title	Experimental and computational investigation of graphene/SAMs/n-Si Schottky diodes			Type	A1 Journal article
	Year	2018	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	428	Issue	428	Pages	1010-1017
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	We have investigated the effect of two different self-assembled monolayers (SAMs) on electrical characteristics of bilayer graphene (BLG)/n-Si Schottky diodes. Novel 4“bis(diphenylamino)-1, 1':3”-terpheny1-5' carboxylic acids (TPA) and 4,4-di-9H-carbazol-9-y1-1,1':3'1'-terpheny1-5' carboxylic acid (CAR) aromatic SAMs have been used to modify n-Si surfaces. Cyclic voltammetry (CV) and Kelvin probe force microscopy (KPFM) results have been evaluated to verify the modification of n-Si surface. The current-voltage (I-V) characteristics of bare and SAMs modified devices show rectification behaviour verifying a Schottky junction at the interface. The ideality factors (n) from ln(I)-V dependences were determined as 2.13,1.96 and 2.07 for BLG/n-Si, BLG/TPA/n-Si and BLG/CAR/n-Si Schottky diodes, respectively. In addition, Schottky barrier height (SBH) and series resistance (Rs) of SAMs modified diodes were decreased compared to bare diode due to the formation of a compatible interface between graphene and Si as well as n-n interaction between aromatic SAMs and graphene. The CAR-based device exhibits better diode characteristic compared to the TPA-based device. Computational simulations show that the BLG/CAR system exhibits smaller energy-level-differences than the BLG/TPA, which supports the experimental findings of a lower Schottky barrier and series resistance in BLG/CAR diode. (C) 2017 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos	000415227000128	Publication Date	2017-09-29
	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	2	Open Access
	Notes	; This work was supported by TUBITAK (The Scientific and Technical Research Council of Turkey) with project number 112T946. We also thank AQuReC (Applied Quantum Research Center) for Raman measurements. Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges support from Bilim Akademisi The Science Academy, Turkey under the BAGEP program. ;			Approved	Most recent IF: 3.387
	Call Number	UA @ lucian @ c:irua:154608UA @ admin @ c:irua:154608			Serial	5101
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	Author	Cassidy, S.J.; Orlandi, F.; Manuel, P.; Hadermann, J.; Scrimshire, A.; Bingham, P.A.; Clarke, S.J.
	Title	Complex Magnetic Ordering in the Oxide Selenide Sr2Fe3Se2O3			Type	A1 Journal article
	Year	2018	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	57	Issue	16	Pages	10312-10322
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000442489100078	Publication Date	2018-07-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	2	Open Access	OpenAccess
	Notes	; S. J. Cassidy prepared the samples and performed the diffraction and magnetometry measurements. F.O., P.M., and S. J. Cassidy measured and interpreted the NPD data. J.H. performed and interpreted the electron diffraction measurements. A.S. and P.A.B. performed and interpreted the Mossbauer spectroscopy measurements. S. J. Cassidy and S. J. Clarke conceived the project and wrote the paper with input from all co-authors. We acknowledge the financial support of the EPSRC (Grants EP/I017844/1, EP/P018874/1, and EP/ M020517/1), and the Leverhulme Trust (RPG-2014-221). We thank the ESTEEM2 network for enabling the electron microscopy investigations, the ISIS facility for the award of beamtime on WISH (RB1610357), and the Diamond Light Source Ltd. for the award of beam time on I11 (allocation EE13284). We thank Dr. C. Murray, Dr. S. Day and Dr. A. Baker for assistance on I11 and Dr. M. Coduri and Dr. A. N. Fitch for assistance on ID22. ;			Approved	Most recent IF: 4.857
	Call Number	UA @ lucian @ c:irua:153723			Serial	5085
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	Author	Lumbeeck, G.; Idrissi, H.; Amin-Ahmadi, B.; Favache, A.; Delmelle, R.; Samaee, V.; Proost, J.; Pardoen, T.; Schryvers, D.
	Title	Effect of hydriding induced defects on the small-scale plasticity mechanisms in nanocrystalline palladium thin films			Type	A1 Journal Article
	Year	2018	Publication	Journal Of Applied Physics	Abbreviated Journal	J Appl Phys
	Volume	124	Issue	22	Pages	225105
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	Nanoindentation tests performed on nanocrystalline palladium films subjected to hydriding/dehydriding cycles demonstrate a significant softening when compared to the as-received material. The origin of this softening is unraveled by combining in situ TEM nanomechanical testing with automated crystal orientation mapping in TEM and high resolution TEM. The softening is attributed to the presence of a high density of stacking faults and of Shockley partial dislocations after hydrogen loading. The hydrogen induced defects affect the elementary plasticity mechanisms and the mechanical response by acting as preferential sites for twinning/detwinning during deformation. These results are analyzed and compared to previous experimental and simulation works in the literature. This study provides new insights into the effect of hydrogen on the atomistic deformation and cracking mechanisms as well as on the mechanical properties of nanocrystalline thin films and membranes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000453254000025	Publication Date	2018-12-14
	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	2	Open Access	Not_Open_Access
	Notes	This work was supported by the Hercules Foundation under Grant No. AUHA13009, the Flemish Research Fund (FWO) under Grant No. G.0365.15N, and the Flemish Strategic Initiative for Materials (SIM) under the project InterPoCo. Dr. H. Idrissi is mandated by the Belgian National Fund for Scientific Research (FSR-FNRS). We would like to thank Dr. Hadi Pirgazi from UGent for his technical support to process the ACOM data in the OIM Analysis software.			Approved	Most recent IF: 2.068
	Call Number	EMAT @ emat @c:irua:155742			Serial	5135
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	Author	Hirayama, A.; Abe, Y.; van Loon, A.; De Keyser, N.; Noble, P.; Vanmeert, F.; Janssens, K.; Tantrakarn, K.; Taniguchi, K.; Nakai, I.
	Title	Development of a new portable X-ray powder diffractometer and its demonstration to on-site analysis of two selected old master paintings from the Rijksmuseum			Type	A1 Journal article
	Year	2018	Publication	Microchemical journal	Abbreviated Journal	Microchem J
	Volume	138	Issue	138	Pages	266-272
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	A portable X-ray powder diffractometer (p-XRD) PT-APXRD III has been developed for onsite analysis of paintings and archaeological samples. By using a Cu anode X-ray tube and a silicon drift diode (SDD) detector, diffraction patterns with a high signalnoise (S/N) ratio can be recorded. The X-ray tube can be operated at a maximum voltage of 60 kV, which makes it possible to simultaneously record X-ray fluorescence spectra up to the high-energy region. The total weight of this instrument is 16 kg, which can be carried anywhere and the goniometer unit (5.6 kg) can be placed on a tripod for analysis of mural paintings. We brought the instrument to the Rijksmuseum in the Netherlands to examine its applicability for the analysis of oil paintings. We successfully analyzed two seventeenthcentury oil paintings by Johannes Vermeer and Jan Davidsz de Heem (copy after). Ultramarine blue, leadtin yellow type I, and Naples yellow were identified from the diffraction patterns, demonstrating the high practicality of this instrument. Furthermore, it was found from the SEM-EDX analysis of a paint cross section that the yellow pigment was applied in separate layers rather than being mixed. This diffractometer will be commercially available in the near future and will have many applications in the field of material analysis. (C) 2018 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000428103000030	Publication Date	2018-01-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0026-265x; 0026-265x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.034	Times cited	2	Open Access
	Notes	; This research was conducted with the support of the JSPS (Tokyo, Japan)-FWO (Brussels, Belgium) bilateral exchange project. ;			Approved	Most recent IF: 3.034
	Call Number	UA @ admin @ c:irua:151565			Serial	5575
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	Author	Pauwels, D.; Ching, H.Y.V.; Samanipour, M.; Neukermans, S.; Hereijgers, J.; Van Doorslaer, S.; De Wael, K.; Breugelmans, T.
	Title	Identifying intermediates in the reductive intramolecular cyclisation of allyl 2-bromobenzyl ether by an improved electron paramagnetic resonance spectroelectrochemical electrode design combined with density functional theory calculations			Type	A1 Journal article
	Year	2018	Publication	Electrochimica acta	Abbreviated Journal	Electrochim Acta
	Volume	271	Issue	271	Pages	10-18
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	The electrochemical activation of C-X bonds requires very negative electrode potentials. Lowering the overpotentials and increasing the catalytic activity requires intensive electrocatalytic research. A profound understanding of the reaction mechanism and the influence of the electrocatalyst allows optimal tuning of the electrocatalyst. This can be achieved by combining electrochemical techniques with electron paramagnetic resonance (EPR) spectroscopy. Although this was introduced in the mid-twentieth century, the application of this combined approach in electrocatalytic research is underexploited. Several reasons can be listed, such as the limited availability of EPR instrumentation and electrochemical devices for such in situ experiments. In this work, a simple and inexpensive construction adapted for in situ EPR electrocatalytic research is proposed. The proof of concept is provided by studying a model reaction, namely the reductive cyclisation of allyl 2-bromobenzyl ether which has interesting industrial applications.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000430369800002	Publication Date	2018-03-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-4686	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.798	Times cited	2	Open Access
	Notes	; The authors would like to thank Melissa Van Landeghem for her assistance with the experimental work and analysis of the data. Jonas Hereijgers greatly acknowledges the Research Foundation Flanders (FWO) for support through a Post-Doctoral grant (12Q8817N). H.Y. Vincent Ching gratefully acknowledges the University of Antwerp for a Post-Doctoral grant. Sabine Van Doorslaer and Tom Breugelmans acknowledge the FWO for research funding (research grant G093317N). ;			Approved	Most recent IF: 4.798
	Call Number	UA @ admin @ c:irua:150463			Serial	5652
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	Author	van Walsem, J.; Roegiers, J.; Modde, B.; Lenaerts, S.; Denys, S.
	Title	Determination of intrinsic kinetic parameters in photocatalytic multi-tube reactors by combining the NTU_m-method with radiation field modelling			Type	A1 Journal article
	Year	2018	Publication	Chemical engineering journal	Abbreviated Journal	Chem Eng J
	Volume	354	Issue	354	Pages	1042-1049
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	In this work, we propose an adapted Number of Transfer Units (NTUm)-method as an effective tool to determine the Langmuir-Hinshelwood kinetic parameters for a photocatalytic multi-tube reactor. The Langmuir-Hinshelwood rate constant kLH and the Langmuir adsorption constant KL were determined from several experiments under different UV-irradiance conditions, resulting in irradiance depending values for kLH. In order to determine a unique, intrinsic empirical constant k0, valid for all irradiation conditions, we coupled the adapted NTUm-method with a radiation field model to predict UV-irradiance distribution inside the reactor. The final set of kinetic parameters were derived using a Generalized Reduced Gradient (GRG) nonlinear solving method in Matlab which minimizes the differences between model and experimental reactor outlet concentrations of acetaldehyde for various photocatalytic experiments under varying operating conditions, including inlet concentration, flow rate and UV-irradiance. An excellent agreement of the intrinsic empirical constant k0, derived from the coupled NTUm-radiation field model and an earlier published CFD approach was found, emphasizing its validity and reliability.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000445413900099	Publication Date	2018-08-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1385-8947; 1873-3212	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.216	Times cited	2	Open Access
	Notes	; J.V.W. acknowledges the Agentschap Innoveren & Ondernemen for a PhD fellowship. ;			Approved	Most recent IF: 6.216
	Call Number	UA @ admin @ c:irua:154845			Serial	5940
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	Author	Fatemi, M.; Azadi, H.; Rafiaani, P.; Taheri, F.; Dubois, T.; Van Passel, S.; Witlox, F.
	Title	Effects of supply chain management on tomato export in Iran : application of structural equation modeling			Type	A1 Journal article
	Year	2018	Publication	Journal of food products marketing	Abbreviated Journal
	Volume	24	Issue	2	Pages	177-195
	Keywords	A1 Journal article; Economics; Engineering Management (ENM); Government and Law
	Abstract	Although Iran is one of the top 10 countries in the world that produce tomatoes, the level that they are exported into the global market is low. This issue may have resulted from a major problem within tomatoes supply chain management. This paper aims to develop an empirical model of the supply chain management (SCM) of tomato companies. Throughout the reviewed literature, a SCM construct with different six indicators has been developed, including information sharing, long-term relationship, cooperation, quality, flexibility, and delivery. In this study, the influence of the SCM components on tomato export was identified through the use of empirical data that were collected from 20 different tomato companies in Northeast Iran. Using structural equation modeling, the major elements of SCM were found to have significant impacts on the export of tomatoes. The results also showed that information sharing, cooperation, flexibility, quality, and delivery had significant positive effects on the export of tomatoes.
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	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000424803000004	Publication Date	2017-03-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1045-4446	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles; WoS full record; WoS citing articles
	Impact Factor		Times cited	2	Open Access
	Notes	; ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:149044			Serial	6192
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	Author	Boerema, A.; Van Passel, S.; Meire, P.
	Title	Cost-effectiveness analysis of ecosystem management with ecosystem services : from theory to practice			Type	A1 Journal article
	Year	2018	Publication	Ecological Economics	Abbreviated Journal	Ecol Econ
	Volume	152	Issue	152	Pages	207-218
	Keywords	A1 Journal article; Economics; Engineering Management (ENM); Ecosystem Management
	Abstract	Integrated ecosystem management is challenging due to many, often conflicting, targets and limited resources to allocate. A valuable and straightforward approach is to integrate an ecosystem services assessment in a cost-effectiveness analysis as method to evaluate and compare the cost-effectiveness of several management scenarios to reach one or more objectives and take into account the potential effects on other ecosystem functions and services. Nevertheless, this method is not commonly used in ecosystem management evaluation but can provide an alternative for the frequently used but often contested cost-benefit analysis (which requires the step of assigning a monetary value to each benefit). The aim of this study is to apply the cost-effectiveness analysis in combination with an ecosystem services assessment on a real case-study (comparing alternative management strategies for estuaries) to derive lessons learned to go from theory to practice. The application of this method for the case-study reveals many remaining challenges such as data availability and knowledge to assess ecosystem effects of management measures. Nevertheless, the analysis demonstrates that this method can be used for making a more integrated evaluation and supporting better-informed management decisions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000440118700021	Publication Date	2018-06-19
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-8009; 1873-6106	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	2.965	Times cited	2	Open Access
	Notes	; ;			Approved	Most recent IF: 2.965
	Call Number	UA @ admin @ c:irua:151754			Serial	6173
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