NANOlab Center of Excellence literature database -- Query Results

Home

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

List View

Citations

Details

Records
Author	Morozov, V.A.; Batuk, D.; Batuk, M.; Basovich, O.M.; Khaikina, E.G.; Deyneko, D.V.; Lazoryak, B.I.; Leonidov, I.I.; Abakumov, A.M.; Hadermann, J.
Title	Luminescence Property Upgrading via the Structure and Cation Changing in Ag_xEu_(2–x)/3WO₄and Ag_xGd_{(2–x)/3–0.3}Eu_0.3WO₄			Type	A1 Journal article
Year	2017	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
Volume	29	Issue	20	Pages	8811-8823
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The creation and ordering of A-cation vacancies and the effect of cation substitutions in the scheelite-type framework are investigated as a factor for controlling the scheelite-type structure and luminescence properties. AgxEu3+(2−x)/3□(1−2x)/3WO4 and AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4 (x = 0.5−0) scheelite-type phases were synthesized by a solid state method, and their structures were investigated using a combination of transmission electron microscopy techniques and powder synchrotron X-ray diffraction. Transmission electron microscopy also revealed the (3 + 1)D incommensurately modulated character of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.286, 0.2) phases. The crystal structures of the scheelite-based AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286, 0.2) red phosphors have been refined from high resolution synchrotron powder X-ray diffraction data. The luminescence properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of AgxEu3+(2−x)/3□(1−2x)/3WO4 (x = 0.5, 0.286,0.2) phosphors show the strongest absorption at 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The excitation spectra of the Eu2/3□1/3WO4 and Gd0.367Eu0.30□1/3WO4 phases exhibit the highest contribution of the charge transfer band at 250 nm and thus the most efficient energy transfer mechanism between the host and the luminescent ion as compared to direct excitation. The emission spectra of all samples indicate an intense red emission due to the 5D0 → 7F2 transition of Eu3+. Concentration dependence of the 5D0 → 7F2 emission for AgxEu(2−x)/3□(1−2x)/3WO4 samples differs from the same dependence for the earlier studied NaxEu3+(2−x)/3□(1−2x)/3MoO4 (0 ≤ x ≤ 0.5) phases. The intensity of the 5D0 → 7F2 emission is reduced almost 7 times with decreasing x from 0.5 to 0, but it practically does not change in the range from x = 0.286 to x = 0.200. The emission spectra of Gd-containing samples show a completely different trend as compared to only Eu-containing samples. The Eu3+ emission under excitation of Eu3+(5L6) level (λex = 395 nm) increases more than 2.5 times with the increasing Gd3+ concentration from 0.2 (x = 0.5) to 0.3 (x = 0.2) in the AgxGd(2−x)/3−0.3Eu3+0.3□(1−2x)/3WO4, after which it remains almost constant for higher Gd3+ concentrations.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000413884900028	Publication Date	2017-10-24
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	7	Open Access	Not_Open_Access
Notes	This research was supported by FWO (project G039211N), Flanders Research Foundation. V.A.M. is grateful for financial support of the Russian Foundation for Basic Research (Grant 15-03-07741). E.G.K. and O.M.B. are grateful for financial support of the Russian Foundation for Basic Research (Grants 13-03-01020 and 16-03-00510). D.V.D. is grateful for financial support of the Russian Foundation for Basic Research (Grant 16-33-00197) and the Foundation of the President of the Russian Federation (Grant MK-7926.2016.5.). We are grateful to the ESRF for granting the beamtime. Experimental support of Andy Fitch at the ID31 beamline of ESRF is kindly acknowledged.			Approved	Most recent IF: 9.466
Call Number	EMAT @ emat @c:irua:147241			Serial	4768
Permanent link to this record



Author	Morozov, V.A.; Belik, A.A.; Stefanovich, S.Y.; Grebenev, V.V.; Lebedev, O.I.; Van Tendeloo, G.; Lazoryak, B.I.
Title	High-temperature phase transition in the whitlockite-type phosphate Ca₉In(PO₄)₇			Type	A1 Journal article
Year	2002	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
Volume	165	Issue	2	Pages	278-288
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The double phosphate Ca9In(PO4)(7) was obtained by solid-state reaction and was studied by room and high-temperature Xray powder diffraction, electron diffraction, high-resolution electron microscopy, second-harmonic generation (SHG) technique, differential scanning calorimetry, dielectric and conductivity measurements. The beta-Ca9In(PO4)(7) room-temperature phase is related to the mineral whitlockite and is similar to beta-Ca-3(PO4)(2). It has space group R (3) over barc, with unit cell parameters: a = 10.4008(1) Angstrom, c = 37.272(1) Angstrom, Z = 6. The structure was refined by the Rietveld method (R-wp = 4.69, R-I = 1.81). A reversible first-order beta <----> beta' phase transition of the ferroelectric type with T-c = 902 K is revealed by SHG, differential scanning calorimetry and dielectric measurements. The centrosymmetric beta'-Ca9In(PO4)(7) (973 K) has space group R (3) over barc, a = 10.4611(2) Angstrom, c = 37.874 (1) Angstrom (R-wp = 4.27, R-I = 4.11). Compared to the low-temperature beta-Ca9In(PO4)(7) structure, beta'-Ca9In(PO4)(7) can be described as an orientational disordering of the P1O(4) tetrahedra together with a calcium disordering on the M3 site. (C) 2002 Elsevier Science (USA).
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000175916000010	Publication Date	2002-10-06
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.299	Times cited	57	Open Access
Notes				Approved	Most recent IF: 2.299; 2002 IF: 1.671
Call Number	UA @ lucian @ c:irua:94926			Serial	1467
Permanent link to this record



Author	Morozov, V.A.; Lazoryak, B.I.; Lebedev, O.I.; Amelinckx, S.; Van Tendeloo, G.
Title	Structures of three polymorphs of the complex oxide K₅Yb(MoO₄)₄			Type	A1 Journal article
Year	2003	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
Volume	176	Issue	1	Pages	76-87
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000186711300012	Publication Date	2003-10-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.299	Times cited	8	Open Access
Notes				Approved	Most recent IF: 2.299; 2003 IF: 1.413
Call Number	UA @ lucian @ c:irua:54716			Serial	3322
Permanent link to this record



Author	Morozov, V.A.; Lazoryak, B.I.; Shmurak, S.Z.; Kiselev, A.P.; Lebedev, O.I.; Gauquelin, N.; Verbeeck, J.; Hadermann, J.; Van Tendeloo, G.
Title	Influence of the structure on the properties of Na_xEu_y(MoO₄)_z red phosphors			Type	A1 Journal article
Year	2014	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
Volume	26	Issue	10	Pages	3238-3248
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Scheelite related compounds (A',A '')(n)[(B',B '')O-4](m) with B', B '' = W and/or Mo are promising new materials for red phosphors in pc-WLEDs (phosphor-converted white-light-emitting-diode) and solid-state lasers. Cation substitution in CaMoO4 of Ca2+ by the combination of Na+ and Eu3+, with the creation of A cation vacancies, has been investigated as a factor for controlling the scheelite-type structure and the luminescent properties. Na5Eu(MoO4)(4) and NaxEu(2-x)/33+square(2-x)/3MoO4 (0.138 <= x <= 0.5) phases with a scheelite-type structure were synthesized by the solid state method; their structural characteristics were investigated using transmission electron microscopy. Contrary to powder synchrotron X-ray diffraction before, the study by electron diffraction and high resolution transmission electron microscopy in this paper revealed that Na0.286Eu0.571MoO4 has a (3 + 2)D incommensurately modulated structure and that (3 + 2)D incommensurately modulated domains are present in Na0.200Eu0.600MoO4. It also confirmed the (3 + 1)D incommensurately modulated character of Na(0.138)Eu(0.621)Mo04. The luminescent properties of all phases under near-ultraviolet (n-UV) light have been investigated. The excitation spectra of these phosphors show the strongest absorption at about 395 nm, which matches well with the commercially available n-UV-emitting GaN-based LED chip. The emission spectra indicate an intense red emission due to the D-5(0) -> F-7(2) transition of Eu3+, with local minima in the intensity at Na0.286Eu0.571MoO4 and Na0.200Eu0.600MoO4 for similar to 613 nm and similar to 616 nm bands. The phosphor Na5Eu(MoO4)(4) shows the brightest red light emission among the phosphors in the Na2MoO4-Eu2/3MoO4 system and the maximum luminescence intensity of Na5Eu(MoO4)(4) (lambda(ex) = 395 nm) in the D-5(0) -> F-7(2) transition region is close to that of the commercially used red phosphor YVO4:Eu3+ (lambda(ex) = 326 nm). Electron energy loss spectroscopy measurements revealed the influence of the structure and Na/Eu cation distribution on the number and positions of bands in the UV-optical-infrared regions of the EELS spectrum.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000336637000028	Publication Date	2014-05-01
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0897-4756;1520-5002;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	9.466	Times cited	53	Open Access
Notes	Fwo G039211n; Fwo G004413n; 278510 Vortex ECASJO_;			Approved	Most recent IF: 9.466; 2014 IF: 8.354
Call Number	UA @ lucian @ c:irua:117765UA @ admin @ c:irua:117765			Serial	1652
Permanent link to this record



Author	Morozov, V.A.; Mironov, A.V.; Lazoryak, B.I.; Khaikina, E.G.; Basovich, O.M.; Rossell, M.D.; Van Tendeloo, G.
Title	Ag_1/8Pr_5/8MoO₄: an incommensurately modulated scheelite-type structure			Type	A1 Journal article
Year	2006	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
Volume	179	Issue	4	Pages	1183-1191
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000236501300029	Publication Date	2006-02-08
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.299	Times cited	35	Open Access
Notes	Iap V-1			Approved	Most recent IF: 2.299; 2006 IF: 2.107
Call Number	UA @ lucian @ c:irua:57766			Serial	3513
Permanent link to this record



Author	Morozov, V.A.; Pokholok, K.V.; Lazoryak, B.I.; Malakho, A.P.; Lachgar, A.; Lebedev, O.I.; Van Tendeloo, G.
Title	A new iron oxophosphate SrFe₃(PO₄)₃O with chain-like structure			Type	A1 Journal article
Year	2003	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
Volume	170	Issue	2	Pages	411-417
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000181875200026	Publication Date	2003-02-04
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.299	Times cited	12	Open Access
Notes				Approved	Most recent IF: 2.299; 2003 IF: 1.413
Call Number	UA @ lucian @ c:irua:54715			Serial	2319
Permanent link to this record



Author	Mosquera, J.; Wang, D.; Bals, S.; Liz-Marzan, L.M.
Title	Surfactant layers on gold nanorods			Type	A1 Journal article
Year	2023	Publication	Accounts of chemical research	Abbreviated Journal
Volume	56	Issue	10	Pages	1204-1212
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Gold nanorods (Au NRs) are an exceptionally promising tool in nanotechnology due to three key factors: (i) their strong interaction with electromagnetic radiation, stemming from their plasmonic nature, (ii) the ease with which the resonance frequency of their longitudinal plasmon mode can be tuned from the visible to the near-infrared region of the electromagnetic spect r u m based on their aspect ratio, and (iii) their simple and cost-effective preparation through seed-mediated chemical growth. In this synthetic method, surfactants play a critical role in controlling the size, shape, and colloidal stabi l i t y of Au NRs. For example, surfactants can stabilize specific crystallographic facets during the formation of Au NRs, leading to t h e formation of NRs with specific morphologies. The process of surfactant adsorption onto the NR surface may result in various assemblies of surfactant molecules, such as spherical micelles, elongated micelles, or bilayers. Again, the assembly mode is critical toward determining the further availabi l i t y of the Au NR surface to the surrounding medium. Despite its importance and a great deal of research effort, the interaction between Au NPs and surfactants remains insufficiently understood, because the assembly process is influenced by numerous factors, including the chemical nature of the surfactant, the surface morphology of Au NPs, and solution parameters. Therefore, gaining a more comprehensive understanding of these interactions is essential to unlock the full potential of the seed-mediated growth method and the applications of plasmonic NPs. A plethora of characterization techniques have been applied to reach such an understanding , but many open questions remain. In this Account, we review the current knowledge on the interactions between surfactants and Au NRs. We briefly introduce the state-of-the-art methods for synthesizing Au NRs and highlight the crucial role of cationic surfactants during this process. The self-assembly and organization of surfactants on the Au NR surface is then discussed to better understand their role in seed-mediated growth. Subsequently, we provide examples and elucidate how chemical additives can be used to modulate micellar assemblies, in turn allowing for a finer control over the growth of Au NRs, including chiral NRs. Next, we review the main experimental characterization and computational modeling techniques that have been applied to shed light on the arrangement of surfactants on Au NRs and summarize the advantages and disadvantages for each technique. The Account ends with a “Conclusions and Outlook” section, outlining promising future research directions and developments that we consider are sti l l required, mostly related to the application of electron microscopy in liquid and in 3D. Finally, we remark on the potential of exploiting machine learning techniques to predict synthetic routes for NPs with predefined structures and properties.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000986447000001	Publication Date	2023-05-08
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0001-4842	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	18.3	Times cited	8	Open Access	OpenAccess
Notes	The authors acknowledge financial support by the European Research Council (ERC CoG No. 815128 REALNANO to S.B.; ERC AdG No. 787510, 4DbioSERS to L.M.L.-M.) , from MCIN/AEI/10.13039/501100011033 and “ESF Investing in your future” (Grant PID2020-117779RB-I00 to L.M.L.-M. and Grants RYC2019-027842-I , PID2020-117885GA-I00 to J.M.) , and by Guangdong Provincial Key Laboratory of Optical Information Materials and Technology (No. 2017B030301007) , National Center for International Research on Green Optoelectronics (No. 2016B01018) , MOE Interna-tional Laboratory for Optical Information Technologies, and the 111 projects.			Approved	Most recent IF: 18.3; 2023 IF: 20.268
Call Number	UA @ admin @ c:irua:196768			Serial	8940
Permanent link to this record



Author	Mourdikoudis, S.; Montes-Garcia, V.; Rodal-Cedeira, S.; Winckelmans, N.; Perez-Juste, I.; Wu, H.; Bals, S.; Perez-Juste, J.; Pastoriza-Santos, I.
Title	Highly porous palladium nanodendrites : wet-chemical synthesis, electron tomography and catalytic activity			Type	A1 Journal article
Year	2019	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal
Volume	48	Issue	48	Pages	3758-3767
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	A simple procedure to obtain highly porous hydrophilic palladium nanodendrites in one-step is described. The synthetic strategy is based on the thermal reduction of a Pd precursor in the presence of a positively charged polyelectrolyte such as polyethylenimine (PEI). Advanced electron microscopy techniques combined with X-ray diffraction (XRD), thermogravimetry and BET analysis demonstrate the polycrystalline nature of the nanodendrites as well as their high porosity and active surface area, facilitating a better understanding of their unique morphology. Besides, catalytic studies performed using Raman scattering and UV-Vis spectroscopies revealed that the nanodendrites exhibit a superior performance as recyclable catalysts towards hydrogenation reaction compared to other noble metal nanoparticles.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000461088700027	Publication Date	2019-02-18
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0300-9246; 1477-9226; 1472-7773	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited	23	Open Access	OpenAccess
Notes	; This work was supported by the Ministerio de Economia y Competitividad (MINECO, Spain) under the Grant MAT2016-77809-R, Xunta de Galicia (GRC ED431C 2016-048 and Centro Singular de Investigacion de Galicia (ED431G/02)) and Fundacion Ramon Areces (SERSforSafety). S. M. acknowledges funding from the General Secretariat for Research and Technology in Greece (Project PE4 (1546)). S. B. and N. W. acknowledge financial support by the European Research Council (ERC Starting Grant #335078-COLOURATOMS). We thank the EPSRC CNIE Research Facility (EPSRC Award, EP/K038656/1) at the University College London for the collection of the BET data. Authors thank J. Millos for the XRD measurements. ;			Approved	Most recent IF: NA
Call Number	UA @ admin @ c:irua:158530			Serial	5251
Permanent link to this record



Author	Mueller, G.; Stahnke, F.; Bleiner, D.
Title	Fast steel-cleanness characterization by means of laser-assisted plasma spectrometric methods			Type	A1 Journal article
Year	2006	Publication	Talanta : the international journal of pure and applied analytical chemistry T2 – 34th Colloquium Spectroscopicum Internationale, SEP 04-09, 2005, Univ Antwerp, Antwerp, BELGIUM	Abbreviated Journal	Talanta
Volume		Issue		Pages
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Laser-assisted plasma spectrometry is a palette of analytical techniques (L-OES, LA-ICP-MS) capable of fast spatially-resolved elemental analysis in the micrometer range. For fast estimation of the occurrence in steel samples of non-metallic inclusions, which degrade the material's technical properties, simultaneous OES detection and sequential ICP-MS detection were compared. Histograms were obtained for the intensity distribution of the acquired signals (laser pulse statistics). The skewness coefficient of the histograms for Al (indicator of non-metallic inclusions) was found to be clearly dependent on the fraction of non-metallic inclusions in the case of scanning L-OES. For LA-ICP-MS less clear dependence was observed, which was influenced by the acquisition characteristics. In fact, less measurement throughput limited for LA-ICP-MS the counting statistics to an extent that overrides the benefit of higher detection power as compared to L-OES. (c) 2006 Elsevier B.V. All rights reserved.
Address
Corporate Author				Thesis
Publisher	Pergamon	Place of Publication	Oxford	Editor
Language		Wos	000242871900015	Publication Date	2006-07-06
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0039-9140; 1873-3573	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.162	Times cited	12	Open Access
Notes				Approved	Most recent IF: 4.162; 2006 IF: 2.810
Call Number	UA @ lucian @ c:irua:103122			Serial	4518
Permanent link to this record



Author	Muguerra, H.; Pescheux, A.-C.; Meledin, A.; Van Tendeloo, G.; Soubeyroux, J.-L.
Title	A La_2−xGd_xZr₂O₇layer deposited by chemical solution: a promising seed layer for the fabrication of high J_cand low cost coated conductors			Type	A1 Journal article
Year	2015	Publication	Journal of materials chemistry C : materials for optical and electronic devices	Abbreviated Journal	J Mater Chem C
Volume	3	Issue	3	Pages	11766-11772
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	We deposited La2-xGdxZr2O7 seed layers by a chemical solution method on a Ni-5%W substrate to study the influence of these layers on the growth process of a 60 nm-thick La2Zr2O7 layer. We measured the performances of these new buffer layers integrated in a coated conductor with a 300 nm-thick Y0.5Gd0.5Ba2Cu3O7-x layer. For the seed layers{,} we considered two different gadolinium contents (x = 0.2 and x = 0.8) and three different thicknesses for these compositions (20 nm{,} 40 nm{,} and 60 nm). The most promising buffer layer stacks are those with 20 nm of the La1.8Gd0.2Zr2O7 layer or La1.2Gd0.8Zr2O7. Indeed the La2-xGdxZr2O7/La2Zr2O7 films are highly textured{,} similar to a 100 nm-thick La2Zr2O7 layer{,} but their roughness is four times lower. Moreover they contain less and smaller pores in the seed layer than a pure La2Zr2O7 layer. The surface of La2Zr2O7 is also homogenous and crystalline with an orientation deviation from the ideal ?011? (100) direction below 10[degree]. With the 20 nm La2-xGdxZr2O7 seed layers we obtain in the coated conductors an efficiently textured transfer with no gradual degradation from the substrate throughout the superconducting layer. The highest Tc and Jc values are achieved with the La1.8Gd0.2Zr2O7 layer and are{,} respectively{,} 91 K and 1.4 MA cm-2. This trend seems to be due to an improvement of the surface quality of the Ni5%W substrate by the addition of a thin seed layer. Our results offer the potential of the La2-xGdxZr2O7 seed layers as promising alternatives for the classic Ni-5%W/LZO/CeO2/YBCO architectures.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000364826000024	Publication Date	2015-10-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	2050-7526;2050-7534;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	5.256	Times cited	4	Open Access
Notes	This work was performed within the framework of the EUROTAPES project (FP7-NMP.2011.2.2-1 Grant no. 280438), funded by the European Union. The authors also thank L. Porcar and P. Chometon for superconducting transition temperature and critical current density measurements and P. Odier for fruitful discussion.			Approved	Most recent IF: 5.256; 2015 IF: 4.696
Call Number	c:irua:130181			Serial	3968
Permanent link to this record



Author	Mulder, J.T.T.; Jenkinson, K.; Toso, S.; Prato, M.; Evers, W.H.H.; Bals, S.; Manna, L.; Houtepen, A.J.J.
Title	Nucleation and growth of bipyramidal Yb:LiYF₄ nanocrystals : growing up in a hot environment			Type	A1 Journal article
Year	2023	Publication	Chemistry of materials	Abbreviated Journal
Volume	35	Issue	14	Pages	5311-5321
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Lanthanide-doped LiYF4 (Ln:YLF) is commonlyused fora broad variety of optical applications, such as lasing, photon upconversionand optical refrigeration. When synthesized as nanocrystals (NCs),this material is also of interest for biological applications andfundamental physical studies. Until now, it was unclear how Ln:YLFNCs grow from their ionic precursors into tetragonal NCs with a well-defined,bipyramidal shape and uniform dopant distribution. Here, we studythe nucleation and growth of ytterbium-doped LiYF4 (Yb:YLF),as a template for general Ln:YLF NC syntheses. We show that the formationof bipyramidal Yb:YLF NCs is a multistep process starting with theformation of amorphous Yb:YLF spheres. Over time, these spheres growvia Ostwald ripening and crystallize, resulting in bipyramidal Yb:YLFNCs. We further show that prolonged heating of the NCs results inthe degradation of the NCs, observed by the presence of large LiFcubes and small, irregular Yb:YLF NCs. Due to the similarity in chemicalnature of all lanthanide ions our work sheds light on the formationstages of Ln:YLF NCs in general.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001021474500001	Publication Date	2023-07-03
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0897-4756; 1520-5002	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	8.6	Times cited		Open Access	OpenAccess
Notes	This project has received funding from the European Union's Horizon 2020 research and innovation program under Grant Agreement No. 766900 (Testing the large-scale limit of quantum mechanics). The authors thank Niranjan Saikumar for proof reading the manuscript.			Approved	Most recent IF: 8.6; 2023 IF: 9.466
Call Number	UA @ admin @ c:irua:197787			Serial	8907
Permanent link to this record



Author	Müller, M.; Lebedev, O.I.; Fischer, R.A.
Title	Gas-phase loading of [Zn₄O(btb)₂] (MOF-177) with organometallic CVD-precursors: inclusion compounds of the type [L_nM]_a@MOF-177 and the formation of Cu and Pd nanoparticles inside MOF-177			Type	A1 Journal article
Year	2008	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
Volume	18	Issue	43	Pages	5274-5281
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The highly porous and desolvated (activated) coordination polymer [Zn4O(btb)2] (btb = benzene-1,3,5-tribenzoate; MOF-177) was loaded with the organometallic compounds [Cp2Fe], [Cp*2Zn], [Cu(OCHMeCH2NMe2)2], [CpCuL] (L = PMe3, CNtBu) and [CpPd(3-C3H5)] via solvent-free adsorption from the gas-phase. The inclusion compounds of the type [LnM]a@MOF-177, where [LnM] indicates the respective compound and the parameter a denotes the number of molecules per formula unit of the MOF-177, were characterised by elemental analysis, FT-IR, solid-state NMR spectroscopy and by powder X-ray diffraction (PXRD). Remarkably high effective loadings of up to 11 molecules [Cp2Fe] and 10 molecules [CpPd(3-C3H5)] per cavity were determined. The analytical data prove that the host lattice and the guest molecules interact only by weak van-der-Waals forces without any significant change of the framework or the chemical nature of the included molecules. Cu nanoparticles showing the typical surface plasmon resonance at 580 nm and Pd nanoparticles of about 2.6 nm in size were formed inside the cavities of MOF-177 by the thermally activated hydrogenolysis of the inclusion compounds [CpCuCNtBu]2@MOF-177 and by photolysis of [CpPd(3-C3H5)]10@MOF-177 in an inert atmosphere (Ar). PXRD, FT-IR and NMR studies revealed that the MOF-177 matrix remained unchanged during the decomposition process of the precursors. N2 adsorption studies of the obtained materials Cu@MOF-177 (e.g. 10.6 wt.% Cu, 2309 m2 g-1) and Pd@MOF-177 (e.g. 32.5 wt.%, 1063 m2 g-1) reveal high remaining specific surface areas (Langmuir model).
Address
Corporate Author				Thesis
Publisher		Place of Publication	Cambridge	Editor
Language		Wos	000260487300015	Publication Date	2008-10-06
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited	65	Open Access
Notes	Esteem 026019			Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:75699			Serial	1318
Permanent link to this record



Author	Müller, M.; Turner, S.; Lebedev, O.I.; Wang, Y.; Van Tendeloo, G.; Fischer, R.A.
Title	Au@MOF-5 and Au/Mo_x@MOF-5 (M = Zn, Ti; x = 1, 2) : preparation and microstructural characterisation			Type	A1 Journal article
Year	2011	Publication	European journal of inorganic chemistry	Abbreviated Journal	Eur J Inorg Chem
Volume		Issue	12	Pages	1876-1887
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	The Zn-carboxylate-based porous coordination polymer MOF-5 [Zn4O(bdc)3] and the metal oxide loaded materials ZnO@MOF-5 and TiO2@MOF-5 were loaded in a second step with the precursor [ClAuCO] to yield intermediate materials denoted as [ClAuCO]@MOF-5, [ClAuCO]/ZnO@MOF-5 and [ClAuCO]/TiO2@MOF-5. These composites were decomposed to Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 under hydrogen at 100 °C. The nanoparticle-loaded hybrid materials were characterised by powder X-ray diffraction (PXRD), IR spectroscopy, X-ray photoelectron spectroscopy (XPS) and N2 sorption measurements, which reveal an intact MOF-5 structure that maintains a high specific surface area. For Au@MOF-5, crystalline Au nanoparticles were distributed over the MOF matrix in a homogeneous fashion with a size of ca. 13 nm, evidenced by high resolution transmission electron microscopy. In the case of Au/ZnO@MOF-5, the Au and metal oxide particles of a few nm in size were coexistent in a given volume of the MOF-5 matrix and were not separated in different crystalline MOF particles. For the TiO2 loaded materials the oxide is preferentially located near the outer surface of the MOF particles, leading to an increase of larger exterior Au particles in comparison to very small interior Au particles as observed for the other materials. Au@MOF-5, Au/ZnO@MOF-5 and Au/TiO2@MOF-5 were tested in liquid-phase oxidation of alcohols. Preliminary results show a high activity for the Au loaded materials in this reaction. This observation is attributed to the microstructure of the composites with very small Au particles distributed homogeneously over the MOF matrix.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Weinheim	Editor
Language		Wos	000289644300004	Publication Date	2011-03-09
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1434-1948;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.444	Times cited	75	Open Access
Notes	Fwo; Esteem 026019			Approved	Most recent IF: 2.444; 2011 IF: 3.049
Call Number	UA @ lucian @ c:irua:88644			Serial	205
Permanent link to this record



Author	Nagy, N.V.; Van Doorslaer, S.; Szabó-Plánka, T.; Van Rompaey, S.; Hamza, A.; Fülöp, F.; Tóth, G.K.; Rockenbauer, A.
Title	Copper(II)-binding ability of stereoisomeric cis- and trans-2-aminocyclohexanecarboxylic acidl-phenylalanine dipeptides : a combined CW/pulsed EPR and DFT study			Type	A1 Journal article
Year	2012	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
Volume	51	Issue	3	Pages	1386-1399
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	With the aim of an improved understanding of the metal-complexation properties of alicyclic β-amino acid stereoisomers, and their peptides, the complex equilibria and modes of coordination with copper(II) of l-phenylalanine (F) derivatives of cis/trans-2-aminocyclohexanecarboxylic acid (c/tACHC), i.e. the dipeptides F-c/tACHC and c/tACHC-F, were investigated by a combination of CW and pulsed EPR methods. For the interpretation of the experimental data, DFT quantum-chemical calculations were carried out. Simulation of a pH-dependent series of room-temperature CW-EPR spectra revealed the presence of EPR-active complexes ([Cu(aqua)]2+, [CuL]+, [CuLH1], [CuLH2]−, and [CuL2H1]−), and an EPR-inactive species ([Cu2L2H3]−) in aqueous solutions for all studied cases. [CuLH]2+ was included in the equilibrium model for the c/tACHC-Fcopper(II) systems, and [CuL2], together with two coordination isomers of [CuL2H1]−, were also identified in the F-tACHCcopper(II) system. Comparison of the complexation properties of the diastereomeric ligand pair F-(1S,2R)-ACHC and F-(1R,2S)-ACHC did not reveal significant differences. Considerably lower formation constants were obtained for the trans than for the cis isomers for both the F-c/tACHC and the c/tACHC-F pairs in the case of [CuLH1] involving tridentate coordination by the amino, the deprotonated peptide, and the carboxylate groups. A detailed structural analysis by pulsed EPR methods and DFT calculations indicated that there was no significant destabilization for the complexes of the trans isomers. The lower stability of their complexes was explained by the limitation that only the conformer with donor groups in equatorialequatorial ring positions can bind to copper(II), whereas both equatorial-axial conformers of the cis isomers are capable of binding. From a consideration of the proton couplings obtained with X-band 1H HYSCORE, 2H exchange experiments, and DFT, the thermodynamically most stable cyclohexane ring conformer was assigned for all four [CuLH1] complexes. For the F-cACHC case, the conformer did not match the most stable conformer of the free ligand.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Easton, Pa	Editor
Language		Wos	000300474700029	Publication Date	2012-01-06
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0020-1669;1520-510X;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.857	Times cited	18	Open Access
Notes				Approved	Most recent IF: 4.857; 2012 IF: 4.593
Call Number	UA @ lucian @ c:irua:96729			Serial	515
Permanent link to this record



Author	Naik, P.V.; Wee, L.H.; Meledina, M.; Turner, S.; Li, Y.; Van Tendeloo, G.; Martens, J.A.; Vankelecom, I.F.J.
Title	PDMS membranes containing ZIF-coated mesoporous silica spheres for efficient ethanol recovery via pervaporation			Type	A1 Journal article
Year	2016	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
Volume	4	Issue	4	Pages	12790-12798
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	The design of functional micro- and mesostructured composite materials is significantly important for separation processes. Mesoporous silica is an attractive material for fast diffusion, while microporous zeolitic imidazolate frameworks (ZIFs) are beneficial for selective adsorption and diffusion. In this work, ZIF-71 and ZIF-8 nanocrystals were grown on the surface of mesoporous silica spheres (MSS) via the seeding and regrowth approach in order to obtain monodispersed MSS-ZIF-71 and MSS-ZIF-8 spheres with a particle size of 2-3 mm. These MSS-ZIF spheres were uniformly dispersed into a polydimethylsiloxane (PDMS) matrix to prepare mixed matrix membranes (MMMs). These MMMs were evaluated for the separation of ethanol from water via pervaporation. The pervaporation results reveal that the MSS-ZIF filled MMMs substantially improve the ethanol recovery in both aspects viz. flux and separation factor. These MMMs outperforms the unfilled PDMS membranes and the conventional carbon and zeolite filled MMMs. As expected, the mesoporous silica core allows very fast flow of the permeating compound, while the hydrophobic ZIF coating enhances the ethanol selectivity through its specific pore structure, hydrophobicity and surface chemistry. It can be seen that ZIF-8 mainly has a positive impact on the selectivity, while ZIF-71 enhances fluxes more significantly.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Cambridge	Editor
Language		Wos	000382015100012	Publication Date	2016-07-12
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	8.867	Times cited	26	Open Access
Notes				Approved	Most recent IF: 8.867
Call Number	UA @ lucian @ c:irua:137188			Serial	4395
Permanent link to this record



Author	Nakazato, R.; Matsumoto, K.; Yamaguchi, N.; Cavallo, M.; Crocella, V.; Bonino, F.; Quintelier, M.; Hadermann, J.; Rosero-navarro, N.C.; Miura, A.; Tadanaga, K.
Title	CO₂ electrochemical reduction with Zn-Al layered double hydroxide-loaded gas-diffusion electrode			Type	A1 Journal article
Year	2023	Publication	Electrochemistry	Abbreviated Journal
Volume	91	Issue	9	Pages	097003-97007
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Carbon dioxide electrochemical reduction (CO2ER) has attracted considerable attention as a technology to recycle CO2 into raw materials for chemicals using renewable energies. We recently found that Zn-Al layered double hydroxides (Zn-Al LDH) have the CO-forming CO2ER activity. However, the activity was only evaluated by using the liquid-phase CO2ER. In this study, Ni-Al and Ni-Fe LDHs as well as Zn-Al LDH were synthesized using a facile coprecipitation process and the gas-phase CO2ER with the LDH-loaded gas-diffusion electrode (GDE) was examined. The products were characterized by XRD, STEM-EDX, BF-TEM and ATR-IR spectroscopy. In the ATR-IR results, the interaction of CO2 with Zn-Al LDH showed a different carbonates evolution with respect to other LDHs, suggesting a different electrocatalytic activity. The LDH-loaded GDE was prepared by simple drop-casting of a catalyst ink onto carbon paper. For gas-phase CO2ER, only Zn-Al LDH exhibited the CO2ER activity for carbon monoxide (CO) formation. By using different potassium salt electrolytes affording neutral to strongly basic conditions, such as KCl, KHCO3 and KOH, the gas-phase CO2ER with Zn-Al LDH-loaded GDE showed 1.3 to 2.1 times higher partial current density for CO formation than the liquid-phase CO2ER.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	001082818000001	Publication Date	2023-09-08
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN		ISBN		Additional Links	UA library record; WoS full record
Impact Factor		Times cited		Open Access
Notes				Approved	Most recent IF: NA
Call Number	UA @ admin @ c:irua:200340			Serial	9009
Permanent link to this record



Author	Nakhaee, M.; Yagmurcukardes, M.; Ketabi, S.A.; Peeters, F.M.
Title	Single-layer structures of a₁₀₀- and b₀₁₀-Gallenene : a tight-binding approach			Type	A1 Journal article
Year	2019	Publication	Physical chemistry, chemical physics	Abbreviated Journal	Phys Chem Chem Phys
Volume	21	Issue	28	Pages	15798-15804
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	Using the simplified linear combination of atomic orbitals (LCAO) method in combination with ab initio calculations, we construct a tight-binding (TB) model for two different crystal structures of monolayer gallium: a(100)- and b(010)-Gallenene. The analytical expression for the Hamiltonian and numerical results for the overlap matrix elements between different orbitals of the Ga atoms and for the Slater and Koster (SK) integrals are obtained. We find that the compaction of different structures affects significantly the formation of the orbitals. The results for a(100)-Gallenene can be very well explained with an orthogonal basis set, while for b(010)-Gallenene we have to assume a non-orthogonal basis set in order to construct the TB model. Moreover, the transmission properties of nanoribbons of both monolayers oriented along the AC and ZZ directions are also investigated and it is shown that both AC- and ZZ-b(010)-Gallenene nanoribbons exhibit semiconducting behavior with zero transmission while those of a(100)-Gallenene nanoribbons are metallic.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000476603700057	Publication Date	2019-06-27
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.123	Times cited	14	Open Access
Notes	; This work is supported by the Methusalem program of the Flemish government and the FLAG-ERA project TRANS-2D-TMD. This work is supported by the Flemish Science Foundation (FWO-Vl) by a post-doctoral fellowship (M. Y.). M. N. is partially supported by BFO (Uantwerpen). ;			Approved	Most recent IF: 4.123
Call Number	UA @ admin @ c:irua:161881			Serial	5427
Permanent link to this record



Author	Napierala, C.; Lepoittevin, C.; Edely, M.; Sauques, L.; Giovanelli, F.; Laffez, P.; Van Tendeloo, G.
Title	Moderate pressure synthesis of rare earth nickelate with metal-insulator transition using polymeric precursors			Type	A1 Journal article
Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
Volume	183	Issue	7	Pages	1663-1669
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Rare earth nickelates exhibit a reversible metalsemiconductor phase transition that is, in the infrared range, responsible for a thermo-optical contrast. The state of the art synthesis of these compounds usually requires high oxygen pressure to stabilize Ni in the oxidation state 3+. In this work, using polymeric precursor associated with moderate pressure annealing, we show that it is possible to obtain fully oxidized rare earth nickelate with metalinsulator transition. Using thermogravimetric analysis, X-ray diffraction and transmission electronic microscopy we compare different samples synthesized at different oxygen pressures and demonstrate their structural similarity. Thermo-optical properties were measured, in the infrared range, using reflectance measurements and confirmed the metalinsulator transition at 60 °C in both samples.TEM observations lead to the conclusion that the structure commonly obtained at 175 bar is perfectly observed in the 20 bar sample without major structural defects. The two samples exhibit a thermochromic behavior and thermo-optical properties of the two samples are equivalent.
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000279711200028	Publication Date	2010-05-08
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.299	Times cited	3	Open Access
Notes				Approved	Most recent IF: 2.299; 2010 IF: 2.261
Call Number	UA @ lucian @ c:irua:83679			Serial	2156
Permanent link to this record



Author	Napolsky, P.S.; Drozhzhin, O.A.; Istomin, S.Y.; Kazakov, S.M.; Antipov, E.V.; Galeeva, A.V.; Gippius, A.A.; Svensson, G.; Abakumov, A.M.; Van Tendeloo, G.
Title	Structure and high-temperature properties of the (Sr,Ca,Y)(Co,Mn)O_3-y perovskites – perspective cathode materials for IT-SOFC			Type	A1 Journal article
Year	2012	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
Volume	192	Issue		Pages	186-194
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Oxygen deficient perovskites Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75, were prepared by using the citrate route at 1373-1573 K for 48 h. The cubic Pm-3m perovskite structure for x=0.5 was confirmed by electron diffraction study and refined using neutron powder diffraction (NPD) data. For x=0.75, the superstructure corresponding to a=root 2 x a(per), b=2 x a(per), c=root 2 x a(per) (a(0)b(-)b(-) tilt system, space group Imma) was revealed by electron diffraction. The solid solution Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= x <= 0.6 and compound Ca0.75Y0.25Mn0.85Co0.15O2.92 were prepared in air at 1573 K for 48 h. The crystal structure of Ca0.75Y0.25Mn0.85Co0.15O2.92 was refined using NPD data (S.G. Pnma, a=5.36595(4), b=7.5091(6), c=5.2992(4) angstrom, R-p=0.057, R-wp=0.056, chi(2)=4.26). High-temperature thermal expansion properties of the prepared compounds were studied in air using both dilatometry and high-temperature X-ray powder diffraction data (HTXRPD). They expanding non-linearly at 298-1073 K due to the loss of oxygen at high temperatures. Calculated average thermal expansion coefficients (TECs) for Sr0.75Y0.25Co1-xMnxO3-y, x=0.5, 0.75 and Ca0.75Y0.25Mn0.85Co0.15O2.92(1) are 15.5, 15.1, and 13.8 ppm K-1, respectively. Anisotropy of the thermal expansion along different unit cell axes was observed for Sr0.15Ca0.6Y0.25Co0.25Mn0.75O3-y, and Ca0.75Y0.25Mn0.85Co0.15O2.92. Conductivity of Sr0.75Y0.25Co1-xMnxO3-y, x=0.5 and 0.75 increases with the temperature reaching 110 S/cm for x=0.5 and 44 S/cm for x=0.75 at 1173 K. Samples of Sr0.75-xCaxY0.25Co0.25Mn0.75O3-y, 0.1 <= y <= 0.6 were found to be n-type conductors at room temperature with the similar temperature dependence of the conductivity and demonstrated the increase of the sigma value from similar to 1 to similar to 50 S/cm as the temperature increases from 300 to 1173 K. Their conductivity is described in terms of the small polaron charge transport with the activation energy (E-p) increasing from 340 to 430 meV with an increase of the calcium content from x=0 to x=0.6. (C) 2012 Elsevier Inc. All rights reserved.
Address
Corporate Author				Thesis
Publisher		Place of Publication	London	Editor
Language		Wos	000307028300030	Publication Date	2012-03-31
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0022-4596;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	2.299	Times cited	5	Open Access
Notes				Approved	Most recent IF: 2.299; 2012 IF: 2.040
Call Number	UA @ lucian @ c:irua:101119			Serial	3279
Permanent link to this record



Author	Narayanan, V.; Lommens, P.; De Buysser, K.; Vanpoucke, D.E.P.; Huehne, R.; Molina, L.; Van Tendeloo, G.; van der Voort, P.; Van Driessche, I.
Title	Aqueous CSD approach for the growth of novel, lattice-tuned La_xCe_1-xO_\delta epitaxial layers			Type	A1 Journal article
Year	2012	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
Volume	22	Issue	17	Pages	8476-8483
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Lanthanumcerium oxide (LCO) films were deposited on Ni-5%W substrates by chemical solution deposition (CSD) from water-based precursors. LCO films containing different ratios of lanthanum and cerium ions (from CeO2 to La2Ce2O7) were prepared. The composition of the layers was optimized towards the formation of LCO buffer layers, lattice-matched with the superconducting YBa2Cu3Oy layer, useful for the development of coated conductors. Single, crack-free LCO layers with a thickness of up to 140 nm could be obtained in a single deposition step. The crystallinity and microstructure of these lattice-matched LCO layers were studied by X-ray diffraction techniques, RHEED and SEM. We find that only layers with thickness below 100 nm show a crystalline top surface although both thick and thin layers show good biaxial texture in XRD. On the most promising layers, AFM and (S)TEM were performed to further evaluate their morphology. The overall surface roughness varies between 3.9 and 7.5 nm, while the layers appear much more dense than the frequently used La2Zr2O7 (LZO) systems, showing much smaller nanovoids (12 nm) than the latter system. Their effective buffer layer action was studied using XPS. The thin LCO layers supported the growth of superconducting YBCO deposited using PLD methods.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Cambridge	Editor
Language		Wos	000302367500044	Publication Date	2012-03-20
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0959-9428;1364-5501;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor		Times cited	24	Open Access
Notes	Iap			Approved	Most recent IF: NA
Call Number	UA @ lucian @ c:irua:96960			Serial	148
Permanent link to this record



Author	Naseri, M.; Bafekry, A.; Faraji, M.; Hoat, D.M.; Fadlallah, M.M.; Ghergherehchi, M.; Sabbaghi, N.; Gogova, D.
Title	Two-dimensional buckled tetragonal cadmium chalcogenides including CdS, CdSe, and CdTe monolayers as photo-catalysts for water splitting			Type	A1 Journal article
Year	2021	Publication	Physical Chemistry Chemical Physics	Abbreviated Journal	Phys Chem Chem Phys
Volume	23	Issue	21	Pages	12226-12232
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	Pure hydrogen production via water splitting is an ideal strategy for producing clean and sustainable energy. Two-dimensional (2D) cadmium chalcogenide single-layers with a tetragonal crystal structure, namely Tetra-CdX (X = S, Se, and Te) monolayers, are theoretically predicted by means of density functional theory (DFT). Their structural stability and electronic and optical properties are investigated. We find that Tetra-CdX single-layers are thermodynamically stable. Their stability decreases as we go down the 6A group in the periodic table, i.e., from X = S to Se, and Te which also means that the electronegativity decreases. All considered novel monolayers are indirect band gap semiconductors. Using the HSE06 functional the electronic band gaps of CdS, CdSe, and CdTe monolayers are predicted to be 3.10 eV, 2.97 eV, and 2.90 eV, respectively. The impact of mechanical strain on the physical properties was studied, which indicates that compressive strain increases the band gap and tensile strain decreases the band gap. The optical properties of the Tetra-CdX monolayers show the ability of these monolayers to absorb visible light. Due to the suitable band gaps and band edge positions of Tetra-CdX, these newly discovered 2D materials are promising for photocatalytic water splitting.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000651904600001	Publication Date	2021-04-30
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.123	Times cited		Open Access	Not_Open_Access
Notes				Approved	Most recent IF: 4.123
Call Number	UA @ admin @ c:irua:178378			Serial	7041
Permanent link to this record



Author	Navulla, A.; Tsirlin, A.A.; Abakumov, A.M.; Shpanchenko, R.V.; Zhang, H.; Dikarev, E.V.
Title	Fluorinated heterometallic \beta-diketonates as volatile single-source precursors for the synthesis of low-valent mixed-metal fluorides			Type	A1 Journal article
Year	2011	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
Volume	133	Issue	4	Pages	692-694
Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract	Hexafluoroacetylacetonates that contain lead and divalent first-row transition metals, PbM(hfac)4 (M = Ni (1), Co (2), Mn (3), Fe (4), and Zn (5)), have been synthesized. Their heterometallic structures are held together by strong Lewis acid−base interactions between metal atoms and diketonate ligands acting in chelating−bridging fashion. Compounds 1−5 are highly volatile and decompose below 350 °C. Fluorinated heterometallic β-diketonates have been used for the first time as volatile single-source precursors for the preparation of mixed-metal fluorides. Complex fluorides of composition Pb2MF6 have been obtained by decomposition of 1−5 in a two-zone furnace under low-pressure nitrogen flow. Lead−transition metal fluorides conform to orthorhombically distorted Aurivillius-type structure with layers of corner-sharing [MF6] octahedra separated by α-PbO-type (Pb2F2) blocks. Pb2NiF6 and Pb2CoF6 were found to exhibit magnetic ordering below 80 and 43 K, respectively. The ordering is antiferromagnetic, with a weak, uncompensated moment due to the canting of spins. The Pb2MF6 fluorides represent a new class of prospective magnetoelectric materials combining transition metals and lone-pair main-group cations.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000287295300015	Publication Date	2010-12-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	13.858	Times cited	28	Open Access
Notes				Approved	Most recent IF: 13.858; 2011 IF: 9.907
Call Number	UA @ lucian @ c:irua:88820			Serial	1236
Permanent link to this record



Author	Nayuk, R.; Zacher, D.; Schweins, R.; Wiktor, C.; Fischer, R.A.; Van Tendeloo, G.; Huber, K.
Title	Modulated formation of MOF-5 nanoparticles : a SANS analysis			Type	A1 Journal article
Year	2012	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
Volume	116	Issue	10	Pages	6127-6135
Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract	MOF-5 nanoparticles were prepared by mixing a solution of [Zn4O(C6H5COO)(6)] with a solution of benzene-1,4-dicarboxylic acid in DMF at ambient conditions. The former species mimics as a secondary building unit (SBU), and the latter acts as linker. Mixing of the two solutions induced the formation of MOF-5 nanoparticles in dilute suspension. The applied conditions were identified as suitable for a closer investigation of the particle formation process by combined light and small angle neutron scattering (SANS). Scattering analysis revealed a significant impact of the molar ratio of the two components in the reaction mixture. Excessive use of the building unit slowed down the process. A similar effect was observed upon addition of 4n-decylbenzoic acid, which is supposed to act as a modulator. The formation mechanism leads to initial intermediates, which turn into cubelike nanoparticles with a diameter of about 60-80 nm. This initial stage is followed by an extended formation period, where nucleation proceeds over hours, leading to an increasing number of nanoparticles with the same final size of 60-80 nm.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000301509600020	Publication Date	2012-02-16
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.536	Times cited	24	Open Access
Notes				Approved	Most recent IF: 4.536; 2012 IF: 4.814
Call Number	UA @ lucian @ c:irua:97789			Serial	2163
Permanent link to this record



Author	Nazar, N.D.; Vazifehshenas, T.; Ebrahimi, M.R.; Peeters, F.M.
Title	Strong anisotropic optical properties of 8-Pmmn borophene : a many-body perturbation study			Type	A1 Journal article
Year	2021	Publication	Physical Chemistry Chemical Physics	Abbreviated Journal	Phys Chem Chem Phys
Volume	23	Issue	30	Pages	16417-16422
Keywords	A1 Journal article; Condensed Matter Theory (CMT)
Abstract	Using first-principles many-body perturbation theory, we investigate the optical properties of 8-Pmmn borophene at two levels of approximations; the GW method considering only the electron-electron interaction and the GW in combination with the Bethe-Salpeter equation including electron-hole coupling. The band structure exhibits anisotropic Dirac cones with semimetallic character. The optical absorption spectra are obtained for different light polarizations and we predict strong optical absorbance anisotropy. The absorption peaks undergo a global redshift when the electron-hole interaction is taken into account due to the formation of bound excitons which have an anisotropic excitonic wave function.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000677722700001	Publication Date	2021-07-21
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1463-9076; 1463-9084	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	4.123	Times cited	4	Open Access	Not_Open_Access
Notes				Approved	Most recent IF: 4.123
Call Number	UA @ admin @ c:irua:180385			Serial	7022
Permanent link to this record



Author	Neek-Amal, M.; Beheshtian, J.; Sadeghi, A.; Michel, K.H.; Peeters, F.M.
Title	Boron nitride mono layer : a strain-tunable nanosensor			Type	A1 Journal article
Year	2013	Publication	The journal of physical chemistry: C : nanomaterials and interfaces	Abbreviated Journal	J Phys Chem C
Volume	117	Issue	25	Pages	13261-13267
Keywords	A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract	The influence of triaxial in-plane strain on the electronic properties of a hexagonal boron-nitride sheet is investigated using density functional theory. Different from graphene, the triaxial strain localizes the molecular orbitals of the boron-nitride flake in its center depending on the direction of the applied strain. The proposed technique for localizing the molecular orbitals that are close to the Fermi level in the center of boron nitride flakes can be used to actualize engineered nanosensors, for instance, to selectively detect gas molecules. We show that the central part of the strained flake adsorbs polar molecules more strongly as compared with an unstrained sheet.
Address
Corporate Author				Thesis
Publisher		Place of Publication	Washington, D.C.	Editor
Language		Wos	000321236400041	Publication Date	2013-06-03
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447;1932-7455;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.536	Times cited	38	Open Access
Notes	; This work was supported by the EU-Marie Curie IIF postdoc Fellowship/299855 (for M.N.-A.), the ESF EuroGRAPHENE project CONGRAN, the Flemish Science Foundation (FWO-VI), and the Methusalem Funding of the Flemish government. AS. would like to thank the Universiteit Antwerpen for its hospitality. ;			Approved	Most recent IF: 4.536; 2013 IF: 4.835
Call Number	UA @ lucian @ c:irua:109829			Serial	249
Permanent link to this record



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
Permanent link to this record



Author	Nematollahi, P.; Ma, H.; Schneider, W.F.; Neyts, E.C.
Title	DFT and microkinetic comparison of ru-doped porphyrin-like graphene and nanotubes toward catalytic formic acid decomposition and formation			Type	A1 Journal article
Year	2021	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	125	Issue	34	Pages	18673-18683
Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Immobilization of single metal atoms on a solid host opens numerous possibilities for catalyst designs. If that host is a two-dimensional sheet, sheet curvature becomes a design parameter potentially complementary to host and metal composition. Here, we use a combination of density functional theory calculations and microkinetic modeling to compare the mechanisms and kinetics of formic acid decomposition and formation, chosen for their relevance as a potential hydrogen storage medium, over single Ru atoms anchored to pyridinic nitrogen in a planar graphene flake (RuN4-G) and curved carbon nanotube (RuN4-CNT). Activation barriers are lowered and the predicted turnover frequencies are increased over RuN4-CNT relative to RuN4-CNT. The results highlight the potential of curvature control as a means to achieve high performance and robust catalysts.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000693413400013	Publication Date	2021-08-22
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1932-7447; 1932-7455	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	4.536	Times cited		Open Access	OpenAccess
Notes				Approved	Most recent IF: 4.536
Call Number	UA @ admin @ c:irua:181538			Serial	7805
Permanent link to this record



Author	Nematollahi, P.; Neyts, E.C.
Title	Distribution pattern of metal atoms in bimetal-doped pyridinic-N₄ pores determines their potential for electrocatalytic N₂ reduction			Type	A1 Journal article
Year	2022	Publication	Journal Of Physical Chemistry A	Abbreviated Journal	J Phys Chem A
Volume	126	Issue	20	Pages	3080-3089
Keywords	A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Doping two single transition-metal (TM) atoms on a substrate host opens numerous possibilities for catalyst design. However, what if the substrate contains more than one vacancy site? Then, the combination of two TMs along with their distribution patterns becomes a design parameter potentially complementary to the substrate itself and the bimetal composition. In this study, we investigate ammonia synthesis under mild electrocatalytic conditions on a transition-metal-doped porous C24N24 catalyst using density functional theory (DFT). The TMs studied include Ti, Mn, and Cu in a 2:4 dopant ratio (Ti2Mn4@C24N24 and Ti2Cu4@N-24(24)). Our computations show that a single Ti atom in both catalysts exhibits the highest selectivity for N-2 fixation at ambient conditions. This work is a good theoretical model to establish the structure-activity relationship, and the knowledge earned from the metal-N-4 moieties may help studies of related nanomaterials, especially those with curved structures.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000804119800003	Publication Date	2022-05-12
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	1089-5639; 1520-5215	ISBN		Additional Links	UA library record; WoS full record
Impact Factor	2.9	Times cited		Open Access	OpenAccess
Notes				Approved	Most recent IF: 2.9
Call Number	UA @ admin @ c:irua:189023			Serial	7146
Permanent link to this record



Author	Nematollahi, P.; Neyts, E.C.
Title	Identification of a unique pyridinic FeN₄C_x electrocatalyst for N₂ reduction : tailoring the coordination and carbon topologies			Type	A1 Journal article
Year	2022	Publication	Journal Of Physical Chemistry C	Abbreviated Journal	J Phys Chem C
Volume	126	Issue	34	Pages	14460-14469
Keywords	A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract	Although the heterogeneity of pyrolyzed Fe???N???C materials is known and has been reported previously, the atomic structure of the active sites and their detailed reaction mechanisms are still unknown. Here, we identified two pyridinic Fe???N4-like centers with different local C coordinates, i.e., FeN4C8 and FeN4C10, and studied their electrocatalytic activity for the nitrogen reduction reaction (NRR) based on density functional theory (DFT) calculations. We also discovered the influence of the adsorption of NH2 as a functional ligand on catalyst performance on the NRR. We confirmed that the NRR selectivity of the studied catalysts is essentially governed either by the local C coordination or by the dynamic structure associated with the FeII/FeIII. Our investigations indicate that the proposed traditional pyridinic FeN4C10 has higher catalytic activity and selectivity for the NRR than the robust FeN4C8 catalyst, while it may have outstanding activity for promoting other (electro)catalytic reactions. <comment>Superscript/Subscript Available</comment
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000859545200001	Publication Date	2022-08-17
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
Impact Factor	3.7	Times cited		Open Access	OpenAccess
Notes				Approved	Most recent IF: 3.7
Call Number	UA @ admin @ c:irua:191469			Serial	7268
Permanent link to this record



Author	Neven, L.; Barich, H.; Ching, H.Y.V.; Khan, S.U.; Colomier, C.; Patel, H.H.; Gorun, S.M.; Verbruggen, S.; Van Doorslaer, S.; De Wael, K.
Title	Correlation between the fluorination degree of perfluorinated zinc phthalocyanines, their singlet oxygen generation ability, and their photoelectrochemical response for phenol sensing			Type	A1 Journal article
Year	2022	Publication	Analytical chemistry	Abbreviated Journal	Anal Chem
Volume	94	Issue	13	Pages	5221-5230
Keywords	A1 Journal article; Organic synthesis (ORSY); Sustainable Energy, Air and Water Technology (DuEL); Antwerp Electrochemical and Analytical Sciences Lab (A-Sense Lab)
Abstract	Electron-withdrawing perfluoroalkyl peripheral groups grafted on phthalocyanine (Pc) macrocycles improve their single-site isolation, solubility, and resistance to self-oxidation, all beneficial features for catalytic applications. A high degree of fluorination also enhances the reducibility of Pcs and could alter their singlet oxygen (1O2) photoproduction. The ethanol/toluene 20:80 vol % solvent mixture was found to dissolve perfluorinated FnPcZn complexes, n = 16, 52, and 64, and minimize the aggregation of the sterically unencumbered F16PcZn. The 1O2 production ability of FnPcZn complexes was examined using 9,10-dimethylanthracene (DMA) and 2,2,6,6-tetramethylpiperidine (TEMP) in combination with UV–vis and electron paramagnetic resonance (EPR) spectroscopy, respectively. While the photoreduction of F52PcZn and F64PcZn in the presence of redox-active TEMP lowered 1O2 production, DMA was a suitable 1O2 trap for ranking the complexes. The solution reactivity was complemented by solid-state studies via the construction of photoelectrochemical sensors based on TiO2-supported FnPcZn, FnPcZn\|TiO2. Phenol photo-oxidation by 1O2, followed by its electrochemical reduction, defines a redox cycle, the 1O2 production having been found to depend on the value of n and structural features of the supported complexes. Consistent with solution studies, F52PcZn was found to be the most efficient 1O2 generator. The insights on reactivity testing and structural–activity relationships obtained may be useful for designing efficient and robust sensors and for other 1O2-related applications of FnPcZn.
Address
Corporate Author				Thesis
Publisher		Place of Publication		Editor
Language		Wos	000786254500002	Publication Date	2022-03-22
Series Editor		Series Title		Abbreviated Series Title
Series Volume		Series Issue		Edition
ISSN	0003-2700; 5206-882x	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
Impact Factor	7.4	Times cited		Open Access	OpenAccess
Notes				Approved	Most recent IF: 7.4
Call Number	UA @ admin @ c:irua:187522			Serial	7141
Permanent link to this record