NANOlab Center of Excellence literature database -- Query Results

	NANOlab Center of Excellence literature database Home \| Show All \| Simple Search \| Advanced Search	Login Quick Search: Field: contains: ...
	301–330 of 426 records found matching your query (RSS):

Select All Deselect All

<< 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 >>

List View

Citations

Details

	Records
	Author	Rowenczyk, L.; Dazzi, A.; Deniset-Besseau, A.; Beltran, V.; Goudounèche, D.; Wong-Wah-Chung, P.; Boyron, O.; George, M.; Fabre, P.; Roux, C.; Mingotaud, A.F.; ter Halle, A.
	Title	Microstructure characterization of oceanic polyethylene debris			Type	A1 Journal article
	Year	2020	Publication	Environmental Science & Technology	Abbreviated Journal	Environ Sci Technol
	Volume	54	Issue	7	Pages	4102-4109
	Keywords	A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
	Abstract	Plastic pollution has become a worldwide concern. It was demonstrated that plastic breaks down to nanoscale particles in the environment, forming so-called nanoplastics. It is important to understand their ecological impact, but their structure is not elucidated. In this original work, we characterize the microstructure of oceanic polyethylene debris and compare it to the nonweathered objects. Cross sections are analyzed by several emergent mapping techniques. We highlight deep modifications of the debris within a layer a few hundred micrometers thick. The most intense modifications are macromolecule oxidation and a considerable decrease in the molecular weight. The adsorption of organic pollutants and trace metals is also confined to this outer layer. Fragmentation of the oxidized layer of the plastic debris is the most likely source of nanoplastics. Consequently the nanoplastic chemical nature differs greatly from plastics.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000526418000041	Publication Date	2020-03-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0013-936x; 1520-5851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.4	Times cited	3	Open Access
	Notes	; Foundation and The French National Reaserch Program for Environmental and Occupational Health of Anses (EST/2017/1/219). We thank the 7th Continent Expedition Association, as well as the staff and crew, for the sea sampling campaign. ;			Approved	Most recent IF: 11.4; 2020 IF: 6.198
	Call Number	UA @ admin @ c:irua:172890			Serial	6560
Permanent link to this record



	Author	Pourbabak, S.; Orekhov, A.; Schryvers, D.
	Title	Twin-jet electropolishing for damage-free transmission electron microscopy specimen preparation of metallic microwires			Type	A1 Journal article
	Year	2020	Publication	Microscopy Research And Technique	Abbreviated Journal	Microsc Res Techniq
	Volume		Issue		Pages	1-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A method to prepare TEM specimens from metallic microwires and based on conventional twin-jet electropolishing is introduced. The wire is embedded in an opaque epoxy resin medium and the hardened resin is mechanically polished to reveal the wire on both sides. The resin containing wire is then cut into discs of the appropriate size. The obtained embedded wire is electropolished in a conventional twin-jet electropolishing machine until electron transparency in large areas without radiation damage is achieved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000567944200001	Publication Date	2020-09-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1059-910x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.5	Times cited		Open Access	OpenAccess
	Notes	; Fonds Wetenschappelijk Onderzoek, Grant/Award Number: G.0366.15N ;			Approved	Most recent IF: 2.5; 2020 IF: 1.147
	Call Number	UA @ admin @ c:irua:171969			Serial	6642
Permanent link to this record



	Author	Nicolas-Boluda, A.; Yang, Z.; Dobryden, I.; Carn, F.; Winckelmans, N.; Pechoux, C.; Bonville, P.; Bals, S.; Claesson, P.M.; Gazeau, F.; Pileni, M.P.
	Title	Intracellular fate of hydrophobic nanocrystal self-assemblies in tumor cells			Type	A1 Journal article
	Year	2020	Publication	Advanced Functional Materials	Abbreviated Journal	Adv Funct Mater
	Volume	30	Issue	40	Pages	2004274-15
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Control of interactions between nanomaterials and cells remains a biomedical challenge. A strategy is proposed to modulate the intralysosomal distribution of nanoparticles through the design of 3D suprastructures built by hydrophilic nanocrystals (NCs) coated with alkyl chains. The intracellular fate of two water-dispersible architectures of self-assembled hydrophobic magnetic NCs: hollow deformable shells (colloidosomes) or solid fcc particles (supraballs) is compared. These two self-assemblies display increased cellular uptake by tumor cells compared to dispersions of the water-soluble NC building blocks. Moreover, the self-assembly structures increase the NCs density in lysosomes and close to the lysosome membrane. Importantly, the structural organization of NCs in colloidosomes and supraballs are maintained in lysosomes up to 8 days after internalization, whereas initially dispersed hydrophilic NCs are randomly aggregated. Supraballs and colloidosomes are differently sensed by cells due to their different architectures and mechanical properties. Flexible and soft colloidosomes deform and spread along the biological membranes. In contrast, the more rigid supraballs remain spherical. By subjecting the internalized suprastructures to a magnetic field, they both align and form long chains. Overall, it is highlighted that the mechanical and topological properties of the self-assemblies direct their intracellular fate allowing the control intralysosomal density, ordering, and localization of NCs.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000559913300001	Publication Date	2020-08-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19	Times cited	11	Open Access	Not_Open_Access
	Notes	; F.G. and M.P.P. contributed equally to this work. Dr. J. Teixeira from Laboratoire Leon Brillouin CEA Saclay is thanked for fruitful discussions on SAXS measurement. Dr. J.M. Guinier is thanked for cryoTEM experiments. A.N.-B. received a Ph.D. fellowship from the Institute thematique multi-organismes (ITMO) Cancer and the doctoral school Frontieres du Vivant (FdV)-Programme Bettencourt and the Fondation ARC pour la recherche sur le cancer. ;			Approved	Most recent IF: 19; 2020 IF: 12.124
	Call Number	UA @ admin @ c:irua:171145			Serial	6551
Permanent link to this record



	Author	Liu, F.; Meng, J.; Xia, F.; Liu, Z.; Peng, H.; Sun, C.; Xu, L.; Van Tendeloo, G.; Mai, L.; Wu, J.
	Title	Origin of the extra capacity in nitrogen-doped porous carbon nanofibers for high-performance potassium ion batteries			Type	A1 Journal article
	Year	2020	Publication	Journal Of Materials Chemistry A	Abbreviated Journal	J Mater Chem A
	Volume	8	Issue	35	Pages	18079-18086
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	While graphite has limited capacity as an anode material for potassium-ion batteries, nitrogen-doped carbon materials are more promising as extra capacity can usually be produced. However, the mechanism behind the origin of the extra capacity remains largely unclear. Here, the potassium storage mechanisms have been systematically studied in freestanding and porous N-doped carbon nanofibers with an additional similar to 100 mA h g(-1)discharge capacity at 0.1 A g(-1). The extra capacity is generated in the whole voltage window range from 0.01 to 2 V, which corresponds to both surface/interface K-ion absorptions due to the pyridinic N and pyrrolic N induced atomic vacancies and layer-by-layer intercalation due to the effects of graphitic N. As revealed by transmission electron microscopy, the N-doped samples have a clear and enhanced K-intercalation reaction. Theoretical calculations confirmed that the micropores with pyridinic N and pyrrolic N provide extra sites to form bonds with K, resulting in the extra capacity at high voltage. The chemical absorption of K-ions occurring inside the defective graphitic layer will prompt fast diffusion of K-ions and full realization of the intercalation capacity at low voltage. The approach of preparing N-doped carbon-based materials and the mechanism revealed by this work provide directions for the development of advanced materials for efficient energy storage.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000569873400015	Publication Date	2020-08-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488; 2050-7496	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.9	Times cited	2	Open Access	OpenAccess
	Notes	; F. Liu and J. S. Meng contributed equally to this work. This work was supported by the National Natural Science Foundation of China (51832004 and 51521001), the National Key Research and Development Program of China (2016YFA0202603), and the Natural Science Foundation of Hubei Province (2019CFA001). The S/TEM work was performed at the Nanostructure Research Center (NRC), which is supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 2020III002GX), the State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and the State Key Laboratory of Silicate Materials for Architectures (all of the laboratories are at Wuhan University of Technology). ;			Approved	Most recent IF: 11.9; 2020 IF: 8.867
	Call Number	UA @ admin @ c:irua:172741			Serial	6573
Permanent link to this record



	Author	Al-Emam, E.; Soenen, H.; Caen, J.; Janssens, K.
	Title	Characterization of polyvinyl alcohol-borax/agarose (PVA-B/AG) double network hydrogel utilized for the cleaning of works of art			Type	A1 Journal article
	Year	2020	Publication	Heritage science	Abbreviated Journal
	Volume	8	Issue	1	Pages	106
	Keywords	A1 Journal article; Art; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	Since cleaning of artworks may cause undesirable physicochemical alterations and is a nonreversible procedure, it is mandatory to adopt the proper cleaning procedure. Such a procedure should remove undesired materials whilst preserving the original surface. In this regard, numerous gels have been developed and exploited for the cleaning of various artwork surfaces. Lately, agarose (AG) and polyvinyl alcohol-borax (PVA-B) hydrogels have been widely employed as cleaning tools by conservators. Both hydrogels show some limitations in specific cleaning practices. In this work, we investigated the influence of including increased levels of agarose into PVA-B systems. For this reason, we performed a detailed characterization on the double network (DN) hydrogel including the chemical structure, the liquid phase retention, the rheological behavior, and the self-healing behavior of various PVA-B/AG double network hydrogels. These new hydrogels revealed better properties than PVA-B hydrogels and obviated their limitations. The inclusion of AG into PVA-B systems enhanced the liquid retention capacity, shape-stability, and mechanical strength of the blend. Furthermore, AG minimized the expelling/syneresis issue that occurs when loading PVA-B systems with low polarity solvents or chelating agents. The resultant double network hydrogel exhibits relevant self-healing properties. The PVA-B/AG double network is a new and useful cleaning tool that can be added to the conservators' tool-kit. It is ideal for cleaning procedures dealing with porous and complex structured surfaces, vertical surfaces and for long time applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000580572500001	Publication Date	2020-10-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7445	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.5	Times cited	1	Open Access
	Notes	; Ehab Al-Emam thanks the Egyptian Ministry of Higher Education for funding his Ph.D. scholarship in addition to being grateful to University of Antwerp for additional funding. ;			Approved	Most recent IF: 2.5; 2020 IF: NA
	Call Number	UA @ admin @ c:irua:173594			Serial	6466
Permanent link to this record



	Author	Chaves, A.; Azadani, J.G.; Alsalman, H.; da Costa, D.R.; Frisenda, R.; Chaves, A.J.; Song, S.H.; Kim, Y.D.; He, D.; Zhou, J.; Castellanos-Gomez, A.; Peeters, F.M.; Liu, Z.; Hinkle, C.L.; Oh, S.-H.; Ye, P.D.; Koester, S.J.; Lee, Y.H.; Avouris, P.; Wang, X.; Low, T.
	Title	Bandgap engineering of two-dimensional semiconductor materials			Type	A1 Journal article
	Year	2020	Publication	npj 2D Materials and Applications	Abbreviated Journal
	Volume	4	Issue	1	Pages	29-21
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	Semiconductors are the basis of many vital technologies such as electronics, computing, communications, optoelectronics, and sensing. Modern semiconductor technology can trace its origins to the invention of the point contact transistor in 1947. This demonstration paved the way for the development of discrete and integrated semiconductor devices and circuits that has helped to build a modern society where semiconductors are ubiquitous components of everyday life. A key property that determines the semiconductor electrical and optical properties is the bandgap. Beyond graphene, recently discovered two-dimensional (2D) materials possess semiconducting bandgaps ranging from the terahertz and mid-infrared in bilayer graphene and black phosphorus, visible in transition metal dichalcogenides, to the ultraviolet in hexagonal boron nitride. In particular, these 2D materials were demonstrated to exhibit highly tunable bandgaps, achieved via the control of layers number, heterostructuring, strain engineering, chemical doping, alloying, intercalation, substrate engineering, as well as an external electric field. We provide a review of the basic physical principles of these various techniques on the engineering of quasi-particle and optical bandgaps, their bandgap tunability, potentials and limitations in practical realization in future 2D device technologies.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000565588500001	Publication Date	2020-08-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2397-7132	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited	329	Open Access
	Notes	; Discussions and interactions with D.R. Reichman, F. Tavazza, N.M.R. Peres, and K. Choudhary are gratefully acknowledged. A.C. acknowledges financial support by CNPq, through the PRONEX/FUNCAP and PQ programs. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement No. 755655, ERCStG 2017 project 2D-TOPSENSE). Computational support from the Minnesota Supercomputing Institute (MSI) and EU Graphene Flagship funding (Grant Graphene Core 2, 785219) is acknowledged. R.F. acknowledges support from the Netherlands Organization for Scientific Research (NWO) through the research program Rubicon with project number 680-50-1515. D.H., J.Z., and X.W. acknowledge support by National Natural Science Foundation of China 61734003, 61521001, 61704073, 51861145202, and 61851401, and National Key Basic Research Program of China 2015CB921600 and 2018YFB2200500. J.Z. and Z.L. acknowledge support by RG7/18, MOE2017-T2-2-136, MOE2018-T3-1-002, and A*Star QTE program. S.H.S. and Y.H.L. acknowledge the support from IBS-R011-D1. Y.D.K. is supported by Samsung Research and Incubation Funding Center of Samsung Electronics under Project Number SRFC-TB1803-04. S.J.K acknowledges financial support by the National Science Foundation (NSF), under award DMR-1921629. T.L. and J.G.A. acknowledge funding support from NSF/DMREF under Grant Agreement No. 1921629. S.-H.O. acknowledges support from the U.S. National Science Foundation (NSF ECCS 1809723) and Samsung Global Research Outreach (GRO) project. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:172069			Serial	6459
Permanent link to this record



	Author	Wang, D.; Dasgupta, T.; van der Wee, E.B.; Zanaga, D.; Altantzis, T.; Wu, Y.; Coli, G.M.; Murray, C.B.; Bals, S.; Dijkstra, M.; van Blaaderen, A.
	Title	Binary icosahedral clusters of hard spheres in spherical confinement			Type	A1 Journal article
	Year	2020	Publication	Nature Physics	Abbreviated Journal	Nat Phys
	Volume		Issue		Pages	1-9
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
	Abstract	The influence of geometry on the local and global packing of particles is important to many fundamental and applied research themes, such as the structure and stability of liquids, crystals and glasses. Here we show by experiments and simulations that a binary mixture of hard-sphere-like nanoparticles crystallizing into a MgZn(2)Laves phase in bulk spontaneously forms icosahedral clusters in slowly drying droplets. Using advanced electron tomography, we are able to obtain the real-space coordinates of all the spheres in the icosahedral clusters of up to about 10,000 particles. The local structure of 70-80% of the particles became similar to that of the MgCu(2)Laves phase. These observations are important for photonic applications. In addition, we observed in simulations that the icosahedral clusters nucleated away from the spherical boundary, which is distinctly different from that of the single species clusters. Our findings open the way for particle-level studies of nucleation and growth of icosahedral clusters, and of binary crystallization. The authors investigate out-of-equilibrium crystallization of a binary mixture of sphere-like nanoparticles in small droplets. They observe the spontaneous formation of an icosahedral structure with stable MgCu(2)phases, which are promising for photonic applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000564497300002	Publication Date	2020-08-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1745-2473; 1745-2481	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.6	Times cited	38	Open Access	OpenAccess
	Notes	; D.W., E.B.v.d.W. and A.v.B. acknowledge partial financial support from the European Research Council under the European Union's Seventh Framework Programme (FP-2007-2013)/ERC Advanced Grant Agreement 291667 HierarSACol. T.D. and M. D. acknowledge financial support from the Industrial Partnership Programme, 'Computational Sciences for Energy Research' (grant number 13CSER025), of the Netherlands Organization for Scientific Research (NWO), which was co-financed by Shell Global Solutions International BV G.M.C. was also financially supported by NWO. S.B. acknowledges financial support from ERC Consolidator Grant Number 815128 REALNANO. T.A. acknowledges a post-doctoral grant from the Research Foundation Flanders (FWO, Belgium). C.B.M. and Y.W. acknowledge support for materials synthesis from the Office of Naval Research Multidisciplinary University Research Initiative Award ONR N00014-18-1-2497. G. A. Blab is gratefully acknowledged for 3D printing numerous truncated tetrahedra, which increased our understanding of the connection between the binary icosahedral cluster and Laves phase structures. N. Tasios is sincerely thanked for providing the code for the diffraction pattern calculation. M. Hermes is sincerely thanked for providing interactive views of the structures in this work. We thank G. van Tendeloo, M. Engel, J. Wang, S. Dussi, L. Filion, E. Boattini, S. Paliwal, N. Tasios, B. van der Meer, I. Lobato, J. Wu and L. Laurens for fruitful discussions. We acknowledge the EM Square centre at Utrecht University for the access to the microscopes. ; sygma			Approved	Most recent IF: 19.6; 2020 IF: 22.806
	Call Number	UA @ admin @ c:irua:172044			Serial	6460
Permanent link to this record



	Author	Seuntjens, D.; Carvajal Arroyo, J.M.; Van Tendeloo, M.; Chatzigiannidou, I.; Molina, J.; Nop, S.; Boon, N.; Vlaeminck, S.E.
	Title	Mainstream partial nitritation/anammox with integrated fixed-film activated sludge : combined aeration and floc retention time control strategies limit nitrate production			Type	A1 Journal article
	Year	2020	Publication	Bioresource Technology	Abbreviated Journal	Bioresource Technol
	Volume	314	Issue		Pages	123711-10
	Keywords	A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
	Abstract	Implementation of mainstream partial nitritation/anammox (PN/A) can lead to more sustainable and cost-effective sewage treatment. For mainstream PN/A reactor, an integrated fixed-film activated sludge (IFAS) was operated (26 °C). The effects of floccular aerobic sludge retention time (AerSRT_floc), a novel aeration strategy, and N-loading rate were tested to optimize the operational strategy. The best performance was observed with a low, but sufficient AerSRTfloc (~7d) and continuous aeration with two alternating dissolved oxygen setpoints: 10 min at 0.07–0.13 mg O2 L−1 and 5 min at 0.27–0.43 mg O2 L−1. Nitrogen removal rates were 122 ± 23 mg N L−1 d−1, and removal efficiencies 73 ± 13%. These conditions enabled flocs to act as nitrite sources while the carriers were nitrite sinks, with low abundance of nitrite oxidizing bacteria. The operational strategies in the source-sink framework can serve as a guideline for successful operation of mainstream PN/A reactors.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000558601200004	Publication Date	2020-06-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0960-8524	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.4	Times cited	3	Open Access
	Notes	; D.S. was supported by a Ph.D. grant from the Institute for the Promotion of Innovation by Science and Technology in Flanders (IWTVlaanderen, SB-131769). M.V.T. was supported by a Ph.D. SB Fellowship from the Research Foundation -Flanders (FWO-Vlaanderen, 1S03218N). ;			Approved	Most recent IF: 11.4; 2020 IF: 5.651
	Call Number	UA @ admin @ c:irua:170054			Serial	6559
Permanent link to this record



	Author	Sozen, Y.; Eren, I.; Ozen, S.; Yagmurcukardes, M.; Sahin, H.
	Title	Interaction of Ge with single layer GaAs : from Ge-island nucleation to formation of novel stable monolayers			Type	A1 Journal article
	Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	505	Issue		Pages	144218-7
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In this study, reactivity of single-layer GaAs against Ge atoms is studied by means of ab initio density functional theory calculations. Firstly, it is shown that Ge atoms interact quite strongly with the GaAs layer which allows the formation of Ge islands while it hinders the growth of detached germanene monolayers. It is also predicted that adsorption of Ge atoms on GaAs single-layer lead to formation of two novel stable single-layer crystal structures, namely 1H-GaGeAs and 1H(A)-GaGeAs. Both the total energy optimizations and the calculated vibrational spectra indicate the dynamical stability of both single layer structures. Moreover, although both structures crystallize in 1H phase, 1H-GaGeAs and 1H(A)-GaGeAs exhibit distinctive vibrational features in their Raman spectra which is quite important for distinguishing the structures. In contrast to the semiconducting nature of single-layer GaAs, both polytypes of GaGeAs exhibit metallic behavior confirmed by the electronic band dispersions. Furthermore, the linear-elastic constants, in-plane stiffness and Poisson ratio, reveal the ultrasoft nature of the GaAs and GaGeAs structures and the rigidity of GaAs is found to be slightly enhanced via Ge adsorption. With their stable, ultra-thin and metallic properties, predicted single-layer GaGeAs structures can be promising candidates for nanoscale electronic and mechanical applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000510846500026	Publication Date	2019-11-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	6.7	Times cited		Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid eInfrastructure). H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
	Call Number	UA @ admin @ c:irua:167733			Serial	6548
Permanent link to this record



	Author	Ozcan, M.; Ozen, S.; Yagmurcukardes, M.; Sahin, H.
	Title	Structural, electronic and vibrational properties of ultra-thin octahedrally coordinated structure of EuO₂			Type	A1 Journal article
	Year	2020	Publication	Journal Of Magnetism And Magnetic Materials	Abbreviated Journal	J Magn Magn Mater
	Volume	493	Issue	493	Pages	165668
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Novel stable ultra-thin phases of europium oxide are investigated by means of state-of-the-art first principles calculations. Total energy calculations show that single layers of EuO2 and Eu(OH)(2) can be stabilized in an octahedrally coordinated (1T) atomic structure. However, phonon calculations reveal that although both structures are energetically feasible, only the 1T-EuO2 phase has dynamical stability. The phonon spectrum of 1T-EuO2 displays three Raman active modes; a non-degenerate out-of-plane A(1g) mode at 353.5 cm(-1) and two doubly-degenerate in-plane E-g modes at 304.3 cm(-1). Furthermore, magnetic ground state and electronic band dispersion calculations show that the single layer EuO2 is a metal with net magnetic moment of 5(mu B) per unitcell resulting in a half-metallic ferrimagnetic behavior. Moreover, robustness of the half-metallic ferrimagnetic characteristics of EuO2 is confirmed by the application of electric field and charging. Single layer 1T-EuO2, with its stable ultra-thin structure and half-metallic ferrimagnetic feature, is a promising novel material for nanoscale electronic and spintronic applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000486397800003	Publication Date	2019-08-03
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0304-8853	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.7	Times cited	1	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 117F095. MY is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship. ;			Approved	Most recent IF: 2.7; 2020 IF: 2.63
	Call Number	UA @ admin @ c:irua:162755			Serial	6323
Permanent link to this record



	Author	Baskurt, M.; Eren, I.; Yagmurcukardes, M.; Sahin, H.
	Title	Vanadium dopant- and strain-dependent magnetic properties of single-layer VI₃			Type	A1 Journal article
	Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	508	Issue		Pages	144937-6
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Motivated by the recent synthesis of two-dimensional VI3 [Kong et al. Adv. Mater. 31, 1808074 (2019)], we investigate the effect of V doping on the magnetic and electronic properties of monolayer VI3 by means of first-principles calculations. The dynamically stable semiconducting ferromagnetic (FM) and antiferromagnetic (AFM) phases of monolayer VI3 are found to display distinctive vibrational features that the magnetic state can be distinguished by Raman spectroscopy. In order to clarify the effect of experimentally observed excessive V atoms, the magnetic and electronic properties of the V-doped VI3 structures are analyzed. Our findings indicate that partially doped VI3 structures display FM ground state while the fully-doped structure exhibits AFM ground state. The fully-doped monolayer VI3 is found to be a semiconductor with a relatively larger band gap than its pristine structure. In addition, strain-dependent electronic and magnetic properties of fully- and partially-doped VI3 structures reveal that pristine monolayer displays a FM-to-AFM phase transition with robust semiconducting nature for 5% of compressive strain, while fully-doped monolayer VI3 structure possesses AFM-to-FM semiconducting transition at tensile strains larger than 4%. In contrast, the partially-doped VI3 monolayers are found to display robust FM ground state under biaxial strain. Its dopant and strain tunable electronic and magnetic nature makes monolayer VI3 a promising material for applications in nanoscale spintronic devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000516818700040	Publication Date	2019-12-24
	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	6.7	Times cited	10	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
	Call Number	UA @ admin @ c:irua:168595			Serial	6652
Permanent link to this record



	Author	Kahraman, Z.; Yagmurcukardes, M.; Sahin, H.
	Title	Functionalization of single-layer TaS₂ and formation of ultrathin Janus structures			Type	A1 Journal article
	Year	2020	Publication	Journal Of Materials Research	Abbreviated Journal	J Mater Res
	Volume	35	Issue	11	Pages	1397-1406
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Ab initio calculations are performed to investigate the structural, vibrational, electronic, and piezoelectric properties of functionalized single layers of TaS2. We find that single-layer TaS2 is a suitable host material for functionalization via fluorination and hydrogenation. The one-side fluorinated (FTaS2) and hydrogenated (HTaS2) single layers display indirect gap semiconducting behavior in contrast to bare metallic TaS2. On the other hand, it is shown that as both surfaces of TaS2 are saturated anti-symmetrically, the formed Janus structure is a dynamically stable metallic single layer. In addition, it is revealed that out-of-plane piezoelectricity is created in all anti-symmetric structures. Furthermore, the Janus-type single-layer has the highest specific heat capacity to which longitudinal and transverse acoustical phonon modes have contribution at low temperatures. Our findings indicate that single-layer TaS2 is suitable for functionalization via H and F atoms that the formed, anti-symmetric structures display distinctive electronic, vibrational, and piezoelectric properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000540764300005	Publication Date	2020-04-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0884-2914	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.7	Times cited	1	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. Acknowledges financial support from the TUBITAK under the project number 117F095. H.S. acknowledges support from Turkish Academy of Sciences under the GEBIP program. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M.Y.). ;			Approved	Most recent IF: 2.7; 2020 IF: 1.673
	Call Number	UA @ admin @ c:irua:170185			Serial	6525
Permanent link to this record



	Author	Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H.
	Title	Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I)			Type	A1 Journal article
	Year	2020	Publication	Journal Of Chemical Physics	Abbreviated Journal	J Chem Phys
	Volume	152	Issue	16	Pages	164116-164118
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. Our results reveal that both the 1H- and 1T-phases are dynamically stable in terms of their phonon band dispersions with the latter being the energetically favorable phase for all single-layers. In both phases of single-layer CaX2 structures, significant phonon softening occurs as the atomic radius increases. In addition, each structural phase exhibits distinctive Raman active modes that enable one to characterize either the phase or the structure via Raman spectroscopy. The electronic band dispersions of single-layer CaX2 structures reveal that all structures are indirect bandgap insulators with a decrease in bandgaps from fluorite to iodide crystals. Furthermore, the calculated linear elastic constants, in-plane stiffness, and Poisson ratio indicate the ultra-soft nature of CaX2 single-layers, which is quite important for their nanoelastic applications. Overall, our study reveals that with their dynamically stable 1T- and 1H-phases, single-layers of CaX2 crystals can be alternative ultra-thin insulators.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000531819100001	Publication Date	2020-04-29
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0021-9606	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.4	Times cited	10	Open Access
	Notes	; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the TUBITAK under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ;			Approved	Most recent IF: 4.4; 2020 IF: 2.965
	Call Number	UA @ admin @ c:irua:169543			Serial	6615
Permanent link to this record



	Author	Yagmurcukardes, M.
	Title	Stable anisotropic single-layer of ReTe₂ : a first principles prediction			Type	A1 Journal article
	Year	2020	Publication	Turkish Journal of Physics	Abbreviated Journal
	Volume	44	Issue	5	Pages	450-457
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	In order to investigate the structural, vibrational, electronic, and mechanical features of single-layer ReTe2 first-principles calculations are performed. Dynamical stability analyses reveal that single-layer ReTe2 crystallize in a distorted phase while its 1H and 1T phases are dynamically unstable. Raman spectrum calculations show that single-layer distorted phase of ReTe2 exhibits 18 Raman peaks similar to those of ReS2 and ReSe2. Electronically, single-layer ReTe2 is shown to be an indirect gap semiconductor with a suitable band gap for optoelectronic applications. In addition, it is found that the formation of Re-units in the crystal induces anisotropic mechanical parameters. The in-plane stiffness and Poisson ratio are shown to be significantly dependent on the lattice orientation. Our findings indicate that single-layer form of ReTe2 can only crystallize in a dynamically stable distorted phase formed by the Re-units. Single-layer of distorted ReTe2 can be a potential in-plane anisotropic material for various nanotechnology applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000585330600004	Publication Date	2020-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1300-0101	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes	; Computational resources were provided by the Scientific and Technological Research Council of Turkey (TUBITAK) Turkish Academic Network and Information Center (ULAKBIM), High Performance and Grid Computing Center (TR-Grid e-Infrastructure) and by Flemish Supercomputer Center (VSC). This work was supported by the Flemish Science Foundation (FWO-Vl) by a postdoctoral fellowship (M.Y.). ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:174296			Serial	6698
Permanent link to this record



	Author	Siriwardane, E.M.D.; Demiroglu, I.; Sevik, C.; Peeters, F.M.; Çakir, D.
	Title	Assessment of sulfur-functionalized MXenes for li-ion battery applications			Type	A1 Journal article
	Year	2020	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
	Volume	124	Issue	39	Pages	21293-21304
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	The surface termination of MXenes greatly determines the electrochemical properties and ion kinetics on their surfaces. So far, hydroxyl-, oxygen-, and fluorine-terminated MXenes have been widely studied for energy storage applications. Recently, sulfur-functionalized MXene structures, which possess low diffusion barriers, have been proposed as candidate materials to enhance battery performance. We performed first-principles calculations on the structural, stability, electrochemical, and ion dynamic properties of Li-adsorbed sulfur-functionalized groups 3B, 4B, 5B, and 6B transition-metal (M)-based MXenes (i.e., M2CS2 with M = Sc, Ti, Zr, Hf, V, Nb, Ta, Cr, Mo, and W). We performed phonon calculations, which indicated that all of the above M2CS2 MXenes, except for Sc, are dynamically stable at T = 0 K. The ground-state structure of each M2CS2 monolayer depends on the type of M atom. For instance, while sulfur prefers to sit at the FCC site on Ti2CS2, it occupies the HCP site of Cr-based MXene. We determined the Li adsorption configurations at different concentrations using the cluster expansion method. The highest maximum open-circuit voltages were computed for the group 4B element (i.e., Ti, Zr, and Hf)-based M2CS2, which are larger than 2.1 V, while their average voltages are approximately 1 V. The maximum voltage for the group 6B element (i.e., Cr, Mo, W)-based M2CS2 is less than 1 V, and the average voltage is less than 0.71 V. We found that S functionalization is helpful for capacity improvements over the O-terminated MXenes. In this respect, the computed storage gravimetric capacity may reach up to 417.4 mAh/g for Ti2CS2 and 404.5 mAh/g for V2CS2. Ta-, Cr-, Mo-, and W-based M2CS2 MXenes show very low capacities, which are less than 100 mAh/g. The Li surface diffusion energy barriers for all of the considered MXenes are less than 0.22 eV, which is favorable for high charging and discharging rates. Finally, ab initio molecular dynamic simulations performed at 400 K and bond-length analysis with respect to Li concentration verify that selected promising systems are robust against thermally induced perturbations that may induce structural transformations or distortions and undesirable Li release.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000577151900008	Publication Date	2020-09-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1932-7447; 1932-7455	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.7	Times cited	15	Open Access
	Notes	; Computational resources were provided by the HPC infrastructure of the University of Antwerp (CalcUA), a division of the Flemish Supercomputer Center (VSC), which is funded by the Hercules Foundation. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118F512 and the Air Force Office of Scientific Research under award no. FA9550-19-1-7048. This work was performed in part at the Center for Nanoscale Materials, a U.S. Department of Energy Office of Science User. Use of the Center for Nanoscale Materials, an Office of Science user facility, was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under contract no. DE-AC02-06CH11357. This work was supported, in part, by The Scientific and Technological Research Council of Turkey (TUBITAK) under contract no. 118C026. ;			Approved	Most recent IF: 3.7; 2020 IF: 4.536
	Call Number	UA @ admin @ c:irua:172693			Serial	6452
Permanent link to this record



	Author	Yagmurcukardes, M.; Peeters, F.M.
	Title	Stable single layer of Janus MoSO: strong out-of-plane piezoelectricity			Type	A1 Journal article
	Year	2020	Publication	Physical Review B	Abbreviated Journal	Phys Rev B
	Volume	101	Issue	15	Pages	155205-155208
	Keywords	A1 Journal article; Condensed Matter Theory (CMT)
	Abstract	Using density functional theory based first-principles calculations, we predict the dynamically stable 1H phase of a Janus single layer composed of S-Mo-O atomic layers. It is an indirect band gap semiconductor exhibiting strong polarization arising from the charge difference on the two surfaces. In contrast to 1H phases of MoS2 and MoO2, Janus MoSO is found to possess four Raman active phonon modes and a large out-of-plane piezoelectric coefficient which is absent in fully symmetric single layers of MoS2 and MoO2. We investigated the electronic and phononic properties under applied biaxial strain and found an electronic phase transition with tensile strain while the conduction band edge displays a shift when under compressive strain. Furthermore, single-layer MoSO exhibits phononic stability up to 5% of compressive and 11% of tensile strain with significant phonon shifts. The phonon instability is shown to arise from the soft in-plane and out-of-plane acoustic modes at finite wave vector. The large strain tolerance of Janus MoSO is important for nanoelastic applications. In view of the dynamical stability even under moderate strain, we expect that Janus MoSO can be fabricated in the common 1H phase with a strong out-of-plane piezoelectric coefficient.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000528507900003	Publication Date	2020-04-24
	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	3.7	Times cited	49	Open Access
	Notes	; Computational resources were provided by the Flemish Supercomputer Center (VSC). M.Y. is supported by the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. ;			Approved	Most recent IF: 3.7; 2020 IF: 3.836
	Call Number	UA @ admin @ c:irua:169566			Serial	6614
Permanent link to this record



	Author	Sun, C.; Liao, X.; Xia, F.; Zhao, Y.; Zhang, L.; Mu, S.; Shi, S.; Li, Y.; Peng, H.; Van Tendeloo, G.; Zhao, K.; Wu, J.
	Title	High-voltage cycling induced thermal vulnerability in LiCoO₂ cathode : cation loss and oxygen release driven by oxygen vacancy migration			Type	A1 Journal article
	Year	2020	Publication	Acs Nano	Abbreviated Journal	Acs Nano
	Volume	14	Issue	5	Pages	6181-6190
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The release of the lattice oxygen due to the thermal degradation of layered lithium transition metal oxides is one of the major safety concerns in Li-ion batteries. The oxygen release is generally attributed to the phase transitions from the layered structure to spinel and rocksalt structures that contain less lattice oxygen. Here, a different degradation pathway in LiCoO2 is found, through oxygen vacancy facilitated cation migration and reduction. This process leaves undercoordinated oxygen that gives rise to oxygen release while the structure integrity of the defect-free region is mostly preserved. This oxygen release mechanism can be called surface degradation due to the kinetic control of the cation migration but has a slow surface to bulk propagation with continuous loss of the surface cation ions. It is also strongly correlated with the high-voltage cycling defects that end up with a significant local oxygen release at low temperatures. This work unveils the thermal vulnerability of high-voltage Li-ion batteries and the critical role of the surface fraction as a general mitigating approach.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000537682300101	Publication Date	2020-04-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1936-0851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	17.1	Times cited	8	Open Access	Not_Open_Access
	Notes	; C.S., X.L., and F.X. contributed equally to this work. This work was supported by the National Natural Science Foundation of China (21905169). The S/TEM work was performed at the Nanostructure Research Center (NRC), which is supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX), the State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and the State Key Laboratory of Silicate Materials for Architectures (all of the laboratories are at Wuhan University of Technology). ;			Approved	Most recent IF: 17.1; 2020 IF: 13.942
	Call Number	UA @ admin @ c:irua:170246			Serial	6537
Permanent link to this record



	Author	Cagno, S.; van der Snickt, G.; Legrand, S.; Caen, J.; Patin, M.; Meulebroeck, W.; Dirkx, Y.; Hillen, M.; Steenackers, G.; Rousaki, A.; Vandenabeele, P.; Janssens, K.
	Title	Comparison of four mobile, non‐invasive diagnostic techniques for differentiating glass types in historical leaded windows : MA‐XRF , UV–Vis–NIR, Raman spectroscopy and IRT			Type	A1 Journal article
	Year	2020	Publication	X-Ray Spectrometry	Abbreviated Journal	X-Ray Spectrom
	Volume		Issue		Pages	xrs.3185-17
	Keywords	A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)
	Abstract	This paper critically compares the performance of four non-invasive techniques that match the accuracy, flexibility, time-efficiency, and transportability required for in situ characterization of leaded glass windows: macroscopic X-ray fluorescence imaging (MA-XRF), UV-Vis-NIR, Raman spectroscopy, and infrared thermography (IRT). In order to compare the techniques on equal grounds, all techniques were tested independently of each other by separate research groups on the same historical leaded window tentatively dated to the 17th century, without prior knowledge. The aim was to assess the ability of these techniques to document the conservation history of the window by classifying and grouping the colorless glass panes, based on differences in composition. IRT, MA-XRF and UV-Vis-NIR spectroscopy positively distinguished at least two glass groups, with MA-XRF providing the most detailed chemical information. In particular, based on the ratio between the network modifier (K) and network stabilizer (Ca) and on the level of colorants and decolorizers (Fe, Mn, As), the number of plausible glass families could be strongly reduced. In addition, UV-Vis-NIR detected cobalt at ppm level and gave more specific information on the chromophore Fe2+/Fe(3+)ratio. Raman spectroscopy was hampered by fluorescence caused by the metal ions of the decolorizer in most of the panes, but nevertheless identified one group as HLLA.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000561869600001	Publication Date	2020-08-24
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0049-8246	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.2	Times cited		Open Access
	Notes	; Belgian Federal Science Policy Office, Grant/Award Number: BR/175/A3/FENESTRA; Fonds Wetenschappelijk Onderzoek, Grant/Award Number: 12X1919N; Baillet-Latour Fund ;			Approved	Most recent IF: 1.2; 2020 IF: 1.298
	Call Number	UA @ admin @ c:irua:170972			Serial	6473
Permanent link to this record



	Author	Tunca, B.; Lapauw, T.; Callaert, C.; Hadermann, J.; Delville, R.; Caspi, E.'ad N.; Dahlqvist, M.; Rosen, J.; Marshal, A.; Pradeep, K.G.; Schneider, J.M.; Vleugels, J.; Lambrinou, K.
	Title	Compatibility of Zr₂AlC MAX phase-based ceramics with oxygen-poor, static liquid lead-bismuth eutectic			Type	A1 Journal article
	Year	2020	Publication	Corrosion Science	Abbreviated Journal	Corros Sci
	Volume	171	Issue		Pages	108704-108719
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	This work investigates the compatibility of Zr2AlC MAX phase-based ceramics with liquid LBE, and proposes a mechanism to explain the observed local Zr2AlC/LBE interaction. The ceramics were exposed to oxygen-poor (C-O <= 2.2 x 10(-10) mass%), static liquid LBE at 500 degrees C for 1000 h. A new Zr-2(Al,Bi,Pb)C MAX phase solid solution formed in-situ in the LBE-affected Zr2AlC grains. Out-of-plane ordering was favorable in the new solid solution, whereby A-layers with high and low-Bi/Pb contents alternated in the crystal structure, in agreement with first-principles calculations. Bulk Zr-2(Al,Bi,Pb)C was synthesized by reactive hot pressing to study the crystal structure of the solid solution by neutron diffraction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000537624600005	Publication Date	2020-04-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0010-938x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	8.3	Times cited	3	Open Access	Not_Open_Access
	Notes	; B.T. acknowledges the financial support of the SCK CEN Academy for Nuclear Science and Technology (Belgium). This research was partly funded by the European Atomic Energy Community's (Euratom) Seventh Framework Programme FP7/ 2007-2013 under Grant Agreement No. 604862 (FP7 MatISSE), the MYRRHA project (SCK CEN, Belgium), as well as by the Euratom research and training programme 2014-2018 under Grant Agreement No. 740415 (H2020 IL TROVATORE). The performed research falls within the framework of the EERA (European Energy Research Alliance) Joint Programme on Nuclear Materials (JPNM). The authors gratefully acknowledge the Hercules Foundation for Project AKUL/1319 (CombiS(T)EM)) and the Knut and Alice Wallenberg (KAW) foundation. The calculations were carried out using supercomputer resources provided by the Swedish National Infrastructure for Computing (SNIC) at the High Performance Computing Center North (HPC2N) and the PDC Center for High Performance Computing. E.N.C. thanks Offir Ozeri for his help in NPD data acquiring. ;			Approved	Most recent IF: 8.3; 2020 IF: 5.245
	Call Number	UA @ admin @ c:irua:170157			Serial	6475
Permanent link to this record



	Author	Jin, B.; Zuo, N.; Hu, Z.-Y.; Cui, W.; Wang, R.; Van Tendeloo, G.; Zhou, X.; Zhai, T.
	Title	Excellent excitonic photovoltaic effect in 2D CsPbBr₃/CdS heterostructures			Type	A1 Journal article
	Year	2020	Publication	Advanced Functional Materials	Abbreviated Journal	Adv Funct Mater
	Volume		Issue		Pages	2006166-2006168
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	P-n photovoltaic junctions are essential building blocks for optoelectronic devices for energy conversion. However, this photovoltaic efficiency has almost reached its theoretical limit. Here, a brand-new excitonic photovoltaic effect in 2D CsPbBr3/CdS heterostructures is revealed. These heterostructures, synthesized by epitaxial growth, display a clean interface and a strong interlayer coupling. The excitonic photovoltaic effect is a function of both the built-in equilibrium electrical potential energy and the chemical potential energy, which is generated by the significant concentration gradient of electrons and holes at the heterojunction interface. Excitingly, this novel photovoltaic effect results in a large open-circuit voltage of 0.76 V and a high power conversion efficiency of 17.5%. In addition, high photodetection performance, including a high photoswitch ratio (I-light/I-dark) of 10(5)and a fast response rate of 23 mu s are obtained. These findings provide a new platform for photovoltaic applications.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000567829000001	Publication Date	2020-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19	Times cited	1	Open Access	Not_Open_Access
	Notes	; B.J., N.Z., and Z.Y.H. contributed equally to this work. This work was supported by the National Natural Science Foundation of China (Grant No. 21825103 and 51802103), the Hubei Provincial Natural Science Foundation of China (Grant No. 2019CFA002), and the Fundamental Research Funds for the Central University (Grant No. 2019kfyXMBZ018, WUT: 2019III012GX). Here the authors also thank the support from Analytical and Testing Center in HUST and the State Key Laboratory of Silicate Materials for Architectures in WUT. ;			Approved	Most recent IF: 19; 2020 IF: 12.124
	Call Number	UA @ admin @ c:irua:171970			Serial	6514
Permanent link to this record



	Author	Mortazavi, B.; Bafekry, A.; Shahrokhi, M.; Rabczuk, T.; Zhuang, X.
	Title	ZnN and ZnP as novel graphene-like materials with high Li-ion storage capacities			Type	A1 Journal article
	Year	2020	Publication	Materials today energy	Abbreviated Journal
	Volume	16	Issue		Pages	Unsp 100392-8
	Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
	Abstract	In this work, we employed first-principles density functional theory (DFT) calculations to investigate the dynamical and thermal stability of graphene-like ZnX (X = N, P, As) nanosheets. We moreover analyzed the electronic, mechanical and optical properties of these novel two-dimensional (2D) systems. Acquired phonon dispersion relations reveal the absence of imaginary frequencies and thus confirming the dynamical stability of predicted monolayers. According to ab-initio molecular dynamics results however only ZnN and ZnP exhibit the required thermally stability. The elastic modulus of ZnN, ZnP and ZnAs are estimated to be 31, 21 and 17 N/m, respectively, and the corresponding tensile strengths values are 6.0, 4.9 and 4.0 N/m, respectively. Electronic band structure analysis confirms the metallic electronic character for the predicted monolayers. Results for the optical characteristics also indicate a reflectivity of 100% at extremely low energy levels, which is desirable for photonic and optoelectronic applications. According to our results, graphene-like ZnN and ZnP nanosheets can yield high capacities of 675 and 556 mAh/g for Li-ion storage, respectively. Acquired results confirm the stability and acceptable strength of ZnN and ZnP nanosheets and highlight their attractive application prospects in optical and energy storage systems.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000539083500049	Publication Date	2020-02-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2468-6069	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.3	Times cited	13	Open Access
	Notes	; B. M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ;			Approved	Most recent IF: 9.3; 2020 IF: NA
	Call Number	UA @ admin @ c:irua:169752			Serial	6655
Permanent link to this record



	Author	Vishwakarma, M.; Varandani, D.; Hendrickx, M.; Hadermann, J.; Mehta, B.R.
	Title	Nanoscale photovoltage mapping in CZTSe/CuxSe heterostructure by using kelvin probe force microscopy			Type	A1 Journal article
	Year	2020	Publication	Materials Research Express	Abbreviated Journal
	Volume	7	Issue	1	Pages	016418
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In the present work, kelvin probe force microscopy (KPFM) technique has been used to study the CZTSe/CuxSe bilayer interface prepared by multi-step deposition and selenization process of metal precursors. Transmission electron microscopy (TEM) confirmed the bilayer configuration of the CZTSe/CuxSe sample. Two configuration modes (surface mode and junction mode) in KPFM have been employed in order to measure the junction voltage under illumination conditions. The results show that CZTSe/CuxSe has small junction voltage of similar to 21 mV and the presence of CuxSe secondary phase in the CZTSe grain boundaries changes the workfunction of the local grain boundaries region. The negligible photovoltage difference between grain and grain boundaries in photovoltage image indicates that CuxSe phase deteriorates the higher photovoltage at grain boundaries normally observed in CZTSe based device. These results can be important for understanding the role of secondary phases in CZTSe based junction devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000520120900001	Publication Date	2019-12-27
	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		Open Access	OpenAccess
	Notes	; Authors acknowledges support provided DST in the forms of InSOL and Indo-Swiss projects. We also acknowledge Joke Hadermann EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Belgium for helping in TEM measurements. M V Manoj Vishwakarma acknowledges IIT Delhi for MHRD fellowship. Prof B R Mehta acknowledges the support of the Schlumberger chair professorship. M V also acknowledges the support of DST-FIST Raman facility. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:167843			Serial	6567
Permanent link to this record



	Author	Vishwakarma, M.; Agrawal, K.; Hadermann, J.; Mehta, B.R.
	Title	Investigating the effect of sulphurization on volatility of compositions in Cu-poor and Sn-rich CZTS thin films			Type	A1 Journal article
	Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	507	Issue		Pages	145043
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In the present work, the Cu-poor and Sn-rich CZTS thin films were prepared in order to study the volatility of Sn with respect to other components. Thin film compositions were kept intentionally Sn-rich to understand the behaviour of loss and segregation of Sn during sulphurization. The homogeneous composition distribution in precursor thin films turns heterogeneous with a change in morphology after sulphurization. The inability of identifying nanoscale secondary phases in CZTS thin film by conventional analytical techniques such as XRD and Raman, can be fulfilled by employing HAADF-STEM analysis. XPS and HAADF-STEM analyses provide the quantification of nanoscale secondary phases across the thin film and surface, respectively. The volatility of Sn was revealed in the form of segregation in the middle layer of CZTS cross-sectional lamella rather than loss to annealing atmosphere. It was observed that among the cations of CZTS, Sn segregates more than Cu, while Zn segregates least. The nanoscale spurious phases were observed to vary across different regions in the sulphurized CZTS sample. The reactive annealing lead to grain growth and formation of grain boundary features in the CZTS thin films, where annealing significantly modifies the potential difference and band bending at grain boundaries with respect to intra-grains.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000520021200053	Publication Date	2019-12-13
	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	6.7	Times cited	4	Open Access	OpenAccess
	Notes	; Authors acknowledges support provided by DST, India in the forms of InSOL project. We also acknowledge Dr. Indrani Mishra for XPS measurements and DST-FIST Raman facility for Raman measurements. Manoj Vishwakarma acknowledges IIT Delhi, New Delhi, India for MHRD fellowship. Prof. B.R. Mehta acknowledges the support of the Schlumberger chair professorship. ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
	Call Number	UA @ admin @ c:irua:168603			Serial	6552
Permanent link to this record



	Author	Kertik, A.; Wee, L.H.; Şentosun, K.; Navarro, J.A.R.; Bals, S.; Martens, J.A.; Vankelecom, I.F.J.
	Title	High-performance CO2-selective hybrid membranes by exploiting MOF-breathing effects			Type	A1 Journal article
	Year	2020	Publication	Acs Applied Materials & Interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	12	Issue	2	Pages	2952-2961
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Conventional CO2 separation in the petrochemical industry via cryogenic distillation or amine-based absorber-stripper units is energy-intensive and environmentally unfriendly. Membrane-based gas separation technology, in contrast, has contributed significantly to the development of energy-efficient systems for processes such as natural gas purification. The implementation of commercial polymeric membranes in gas separation processes is restricted by their permeability-selectivity trade-off and by their insufficient thermal and chemical stability. Herein, we present the fabrication of a Matrimid-based membrane loaded with a breathing metal-organic framework (MOF) (NH2-MIL-53(Al)) which is capable of separating binary CO2/CH4 gas mixtures with high selectivities without sacrificing much of its CO2 permeabilities. NH2-MIL-53(Al) crystals were embedded in a polyimide (PI) matrix, and the mixed-matrix membranes (MMMs) were treated at elevated temperatures (up to 350 degrees C) in air to trigger PI cross-linking and to create PI-MOF bonds at the interface to effectively seal the grain boundary. Most importantly, the MOF transitions from its narrow-pore form to its large-pore form during this treatment, which allows the PI chains to partly penetrate the pores and cross-link with the amino functions at the pore mouth of the NH2-MIL-53(Al) and stabilizes the open-pore form of NH2-MIL-53(Al). This cross-linked MMM, with MOF pore entrances was made more selective by the anchored PI-chains and achieves outstanding CO2/CH4 selectivities. This approach provides significant advancement toward the design of selective MMMs with enhanced thermal and chemical stabilities which could also be applicable for other potential applications, such as separation of hydrocarbons (olefin/paraffin or isomers), pervaporation, and solvent-resistant nanofiltration.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000508464500108	Publication Date	2019-12-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	9.5	Times cited	26	Open Access	OpenAccess
	Notes	; A.K. is grateful to the Erasmus Mundus Doctorate in Membrane Engineering (EUDIME) programme. L.H.W. thanks the FWO-Vlaanderen for a postdoctoral research fellowships under contract number 12M1418N. We thank Methusalem and IAP-PAI for research funding. S.B. acknowledges financial support from European Research Council (ERC) (ERC Starting Grant No. 335078-COLOURATOM). We are also grateful to Frank Mathijs (KU Leuven) for the mechanical tests, Bart Goderis and Olivier Verkinderen for the DSC measurements, and Huntsman (Switzerland) for providing the Matrimid polymer. ;			Approved	Most recent IF: 9.5; 2020 IF: 7.504
	Call Number	UA @ admin @ c:irua:166576			Serial	6534
Permanent link to this record



	Author	Ji, Z.; Wang, H.; Canossa, S.; Wuttke, S.; Yaghi, O.M.
	Title	Pore Chemistry of Metal–Organic Frameworks			Type	A1 Journal article
	Year	2020	Publication	Advanced Functional Materials	Abbreviated Journal	Adv Funct Mater
	Volume	30	Issue	41	Pages	2000238
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	The pores in metal–organic frameworks (MOFs) can be functionalized by placing chemical entities along the backbone and within the backbone. This chemistry is enabled by the architectural, thermal, and chemical robustness of the frameworks and the ability to characterize them by many diffraction and spectroscopic techniques. The pore chemistry of MOFs is articulated in terms of site isolation, coupling, and cooperation and relate that to their functions in guest recognition, catalysis, ion and electron transport, energy transfer, pore‐dynamic modulation, and interface construction. It is envisioned that the ultimate control of pore chemistry requires arranging functionalities into defined sequences and developing techniques for reading and writing such sequences within the pores.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000532830900001	Publication Date	2020-05-16
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1616-301X	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19	Times cited		Open Access	OpenAccess
	Notes	(Not present)			Approved	Most recent IF: 19; 2020 IF: 12.124
	Call Number	EMAT @ emat @c:irua:169485			Serial	6422
Permanent link to this record



	Author	Sharafi, L.; Zarafshani, K.; Keshavarz, M.; Azadi, H.; Van Passel, S.
	Title	Drought risk assessment: Towards drought early warning system and sustainable environment in western Iran			Type	A1 Journal Article
	Year	2020	Publication	Ecological Indicators	Abbreviated Journal	Ecological Indicators
	Volume	114	Issue		Pages	106276
	Keywords	A1 Journal Article; Drought; Early warning system; Risk management; Vulnerability; Environmental risk; Resilient farming; Engineering Management (ENM) ;
	Abstract	Prolonged drought is considered as a creeping natural hazard, which has created a financial burden and unsustainable environment in Iran. Moreover, the effect of drought phenomenon in rural areas is more extensive, causing significant challenges to the rural economy in general and agricultural production in particular. A common strategy to manage drought is based on crisis management (ex-ante). However, for effective drought management, risk management seems to be more in line with drought early warning systems. This quantitative study used risk assessment, which is the function of two elements such as hazard (SPI and SDI indices) and vulnerability (exposure, sensitivity, and adaptive capacity). This study aims to build the foundations for drought early warning systems in limited resource areas such as Kermanshah Township in the northwestern part of Iran. The population of this study comprised of wheat farmers in which 293 farmers were selected using multistage cluster sampling method. In the next step, the drought risk map for Kermanshah Township was developed, which revealed that the majority of villages are at intense environmental risk. The result of this study has implications for drought management practitioners. For example, the results can aid policymakers in the design of an early warning system in order to reduce risk and thus empower farmers toward resilient farming.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000559966500006	Publication Date	2020-04-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1470160X	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	ENM @ enm @c:irua:170071			Serial	6380
Permanent link to this record



	Author	Privat-Maldonado, A.; Bogaerts, A.
	Title	Plasma in Cancer Treatment			Type	Editorial
	Year	2020	Publication	Cancers	Abbreviated Journal	Cancers
	Volume	12	Issue	9	Pages	2617
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	Cancer is the second leading cause of death worldwide, and while science has advanced significantly to improve the treatment outcome and quality of life in cancer patients, there are still many issues with the current therapies, such as toxicity and the development of resistance to treatment [...]
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000581447500001	Publication Date	2020-09-14
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2072-6694	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @c:irua:172460			Serial	6413
Permanent link to this record



	Author	Lin, A.; Stapelmann, K.; Bogaerts, A.
	Title	Advances in Plasma Oncology toward Clinical Translation			Type	Editorial
	Year	2020	Publication	Cancers	Abbreviated Journal	Cancers
	Volume	12	Issue	11	Pages	3283
	Keywords	Editorial; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract	This Special Issue on “Advances in Plasma Oncology Toward Clinical Translation” aims to bring together cutting-edge research papers within the field in the context of clinical translation and application [...]
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000592876800001	Publication Date	2020-11-06
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2072-6694	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	PLASMANT @ plasmant @c:irua:173858			Serial	6434
Permanent link to this record



	Author	Callaert, C.
	Title	Characterization of defects, modulations and surface layers in topological insulators and structurally related compounds			Type	Doctoral thesis
	Year	2020	Publication		Abbreviated Journal
	Volume		Issue		Pages	180 p.
	Keywords	Doctoral thesis; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:165867			Serial	6288
Permanent link to this record



	Author	Vets, C.
	Title	Growth properties of carbon nanomaterials : towards tuning for electronic applications			Type	Doctoral thesis
	Year	2020	Publication		Abbreviated Journal
	Volume		Issue		Pages	130 p.
	Keywords	Doctoral thesis; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record
	Impact Factor		Times cited		Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:164737			Serial	6299
Permanent link to this record