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	Author	Marikutsa, A.; Yang, L.; Rumyantseva, M.; Batuk, M.; Hadermann, J.; Gaskov, A.
	Title	Sensitivity of nanocrystalline tungsten oxide to CO and ammonia gas determined by surface catalysts			Type	A1 Journal article
	Year	2018	Publication	Sensors and actuators : B : chemical	Abbreviated Journal
	Volume	277	Issue		Pages	336-346
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanocrystalline tungsten oxide with variable particle size and surface area was synthesized by aqueous deposition and heat treatment for use in resistive gas sensors. Surface modification with 1 wt.% Pd and Ru was performed by impregnation to improve the sensitivity to CO and ammonia. Acid and oxidation surface sites were evaluated by temperature-programmed techniques using probe molecules. The surface acidity dropped with increasing particle size, and was weakly affected by additives. Lower crystallinity of WO3 and the presence of Ru species favoured temperature-programmed reduction of the materials. Modifying WO3 increased its sensitivity, to CO at ambient condition for modification by Pd and to NH3 at elevated temperature for Ru modification. An in situ infrared study of the gas – solid interaction showed that the catalytic additives change the interaction route of tungsten oxide with the target gases and make the reception of detected molecules independent of the semiconductor oxide matrix.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000453066700042	Publication Date	2018-09-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:156219			Serial	8513
Permanent link to this record



	Author	Chizhov, As.; Rumyantseva, Mn.; Drozdov, Ka.; Krylov, Iv.; Batuk, M.; Hadermann, J.; Filatova, Dg.; Khmelevsky, No.; Kozlovsky, Vf.; Maltseva, Ln.; Gaskov, Am.
	Title	Photoresistive gas sensor based on nanocrystalline ZnO sensitized with colloidal perovskite CsPbBr3 nanocrystals			Type	A1 Journal article
	Year	2021	Publication	Sensors And Actuators B-Chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume	329	Issue		Pages	129035
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The development of sensor materials of which gas sensitivity activates under light illumination is of great importance for the design of portable gas analyzers with low power consumption. In the present work a ZnO/CsPbBr3 nanocomposite based on nanocrystalline ZnO and colloidal cubic-shaped perovskite CsPbBr3 nanocrystals (NCs) capped by oleic acide and oleylamine was synthesized. The individual materials and obtained nanocomposite are characterized by x-ray diffraction, low-temperature nitrogen adsorption, x-ray photoelectron spectroscopy, high angle annular dark field scanning transmission electron microscopy with energy-dispersive Xray spectroscopy mapping and UV-vis absorption spectroscopy. The spectral dependence of the photoconductivity of the ZnO/CsPbBr3 nanocomposite reveals a well-defined peak that strongly correlates with the its optical absorption spectrum. The nanocomposite ZnO/CsPbBr3 shows enhanced photoresponse under visible light illumination (lambda(max) = 470 nm, 8 mW/cm(2)) in air, oxygen and argone, compared with pure nanocrystalline ZnO. Under periodic illumination in the temperature range of 25-100 degrees C, the ZnO/CsPbBr3 nanocomposite shows a sensor response to 0.5-3.0 ppm NO2, unlike pure nanocrystalline ZnO matrix, which demonstrates sensor sensitivity to NO2 under the same conditions above 100 degrees C. The effects of humidity on the sensor signal and photoresponse are also discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000612060700009	Publication Date	2020-10-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-4005	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	5.401	Times cited		Open Access	OpenAccess
	Notes	The reported study was funded by RFBR according to the research project N◦ 18-33-01004 and in part by a grant from the St. Petersburg State University – Event 3-2018 (id: 46380300). Element mapping for sensors were supported by M.V. Lomonosov Moscow State University Program of Development (X-ray fluorescence spectrometer Tornado M4 plus).			Approved	Most recent IF: 5.401
	Call Number	EMAT @ emat @c:irua:176123			Serial	6707
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	Author	Khelifi, S.; Brammertz, G.; Choubrac, L.; Batuk, M.; Yang, S.; Meuris, M.; Barreau, N.; Hadermann, J.; Vrielinck, H.; Poelman, D.; Neyts, K.; Vermang, B.; Lauwaert, J.
	Title	The path towards efficient wide band gap thin-film kesterite solar cells with transparent back contact for viable tandem application			Type	A1 Journal article
	Year	2021	Publication	Solar Energy Materials And Solar Cells	Abbreviated Journal	Sol Energ Mat Sol C
	Volume	219	Issue		Pages	110824
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Wide band gap thin-film kesterite solar cell based on non-toxic and earth-abundant materials might be a suitable candidate as a top cell for tandem configuration in combination with crystalline silicon as a bottom solar cell. For this purpose and based on parameters we have extracted from electrical and optical characterization techniques of Cu2ZnGeSe4 absorbers and solar cells, a model has been developed to describe the kesterite top cell efficiency limitations and to investigate the different possible configurations with transparent back contact for fourterminal tandem solar cell application. Furthermore, we have studied the tandem solar cell performance in view of the band gap and the transparency of the kesterite top cell and back contact engineering. Our detailed analysis shows that a kesterite top cell with efficiency > 14%, a band gap in the range of 1.5-1.7 eV and transparency above 80% at the sub-band gaps photons energies are required to achieve a tandem cell with higher efficiency than with a single silicon solar cell.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000591683500002	Publication Date	2020-10-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0927-0248	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.784	Times cited		Open Access	OpenAccess
	Notes	The authors would like to acknowledge the SWInG project financed by the European Union’s Horizon 2020 research and innovation programme under grant agreement No 640868 and the Research Foundation Flanders-Hercules Foundation (FWO-Vlaanderen, project No AUGE/13/16:FT-IMAGER).			Approved	Most recent IF: 4.784
	Call Number	EMAT @ emat @c:irua:174337			Serial	6706
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	Author	Vladimirova, N.V.; Frolov, A.S.; Sanchez-Barriga, J.; Clark, O.J.; Matsui, F.; Usachov, D.Y.; Muntwiler, M.; Callaert, C.; Hadermann, J.; Neudachina, V.S.; Tamm, M.E.; Yashina, L.V.
	Title	Occupancy of lattice positions probed by X-ray photoelectron diffraction : a case study of tetradymite topological insulators			Type	A1 Journal article
	Year	2023	Publication	Surfaces and interfaces	Abbreviated Journal
	Volume	36	Issue		Pages	102516-10
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Occupancy of different structural positions in a crystal lattice often seems to play a key role in material prop-erties. Several experimental techniques have been developed to uncover this issue, all of them being mostly bulk sensitive. However, many materials including topological insulators (TIs), which are among the most intriguing modern materials, are intended to be used in devices as thin films, for which the sublattice occupancy may differ from the bulk. One of the possible approaches to occupancy analysis is X-ray Photoelectron Diffraction (XPD), a structural method in surface science with chemical sensitivity. We applied this method in a case study of Sb2(Te1-xSex)3 mixed crystals, which belong to prototypical TIs. We used high-angle annular dark field (HAADF) scanning transmission electron microscopy (STEM) as a reference method to verify our analysis. We revealed that the XPD data for vacuum cleaved bulk crystals are in excellent agreement with the reference ones. Also, we demonstrate that the anion occupancy near a naturally formed surface can be rather different from that of the bulk. The present results are relevant for a wide range of compositions where the system remains a topological phase, as we ultimately show by probing the transiently occupied topological surface state above the Fermi level by ultrafast photoemission.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000901694900001	Publication Date	2022-11-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2468-0230	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	6.2	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 6.2; 2023 IF: NA
	Call Number	UA @ admin @ c:irua:193502			Serial	7327
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	Author	Feng, H.L.; Kang, C.-J.; Manuel, P.; Orlandi, F.; Su, Y.; Chen, J.; Tsujimoto, Y.; Hadermann, J.; Kotliar, G.; Yamaura, K.; McCabe, E.E.; Greenblatt, M.
	Title	Antiferromagnetic order breaks inversion symmetry in a metallic double perovskite, Pb₂NiOsO₆			Type	A1 Journal article
	Year	2021	Publication	Chemistry Of Materials	Abbreviated Journal	Chem Mater
	Volume	33	Issue	11	Pages	4188-4195
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A polycrystalline sample of Pb2NiOsO6 was synthesized under high-pressure (6 GPa) and high-temperature (1575 K) conditions. Pb2NiOsO6 crystallizes in a monoclinic double perovskite structure with a centrosymmetric space group P2(1)/n at room temperature. Pb2NiOsO6 is metallic down to 2 K and shows a single antiferromagnetic (AFM) transition at T-N = 58 K. Pb2NiOsO6 is a new example of a metallic and AFM oxide with three-dimensional connectivity. Neutron powder diffraction and first-principles calculation studies indicate that both Ni and Os moments are ordered below T-N and the AFM magnetic order breaks inversion symmetry. This loss of inversion symmetry driven by AFM order is unusual in metallic systems, and the 3d-Sd double-perovskite oxides represent a new class of noncentrosymmetric AFM metallic oxides.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000661521800032	Publication Date	2021-05-26
	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		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 9.466
	Call Number	UA @ admin @ c:irua:179679			Serial	6854
Permanent link to this record



	Author	Vandemeulebroucke, D.; Batuk, M.; Hajizadeh, A.; Wastiaux, M.; Roussel, P.; Hadermann, J.
	Title	Incommensurate Modulations and Perovskite Growth in La_xSr_2–xMnO_4−δAffecting Solid Oxide Fuel Cell Conductivity			Type	A1 Journal Article
	Year	2024	Publication	Chemistry of Materials	Abbreviated Journal	Chem. Mater.
	Volume		Issue		Pages
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	Ruddlesden-Popper La????Sr2−????MnO4−???? materials are interesting symmetric solid oxide fuel cell electrodes due to their good redox stability, mixed ionic and electronic conducting behavior and thermal expansion that matches well with common electrolytes. In reducing environments – as at a solid oxide fuel cell anode – the x = 0.5 member, i.e. La0.5Sr1.5MnO4−????, has a much higher total conductivity than compounds with a different La/Sr ratio, although all those compositions have the same K2NiF4-type I4/mmm structure. The origin for this conductivity difference is not yet known in literature. Now, a combination of in-situ and ex-situ 3D electron diffraction, high-resolution imaging, energy-dispersive X-ray analysis and electron energy-loss spectroscopy uncovered clear differences between x=0.25 and x=0.5 in the pristine structure, as well as in the transformations upon high-temperature reduction. In La0.5Sr1.5MnO4−????, Ruddlesden-Popper n=2 layer defects and an amorphous surface layer are present, but not in La0.25Sr1.75MnO4−????. After annealing at 700°C in 5% H2/Ar, La0.25Sr1.75MnO4−???? transforms to a tetragonal 2D incommensurately modulated structure with modulation vectors ⃗????1 = 0.2848(1) · (⃗????* +⃗????) and ⃗????2 =0.2848(1) · (⃗???? – ⃗????), whereas La0.5Sr1.5MnO4−???? only partially transforms to an orthorhombic 1D incommensurately modulated structure, with ⃗???? = 0.318(2) · ⃗????. Perovskite domains grow at the crystal edge at 700°C in 5% H2 or vacuum, due to the higher La concentration on the surface compared to the bulk, which leads to a different thermodynamic equilibrium. Since it is known that a lower degree of oxygen vacancy ordering and a higher amount of perovskite blocks enhance oxygen mobility, those differences in defect structure and structural transformation upon reduction, might all contribute to the higher conductivity of La0.5Sr1.5MnO4−???? in solid oxide fuel cell anode conditions compared to other La/Sr ratios.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	001174840900001	Publication Date	2024-02-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0897-4756	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	8.6	Times cited		Open Access	Not_Open_Access
	Notes	Universiteit Antwerpen, BOF TOP 38689 ; Fonds Wetenschappelijk Onderzoek, I003218N ; European Commission NanED, 956099 ;			Approved	Most recent IF: 8.6; 2024 IF: 9.466
	Call Number	EMAT @ emat @c:irua:204354			Serial	8997
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	Author	Morozov, V.A.; Arakcheeva, A.V.; Pattison, P.; Meert, K.W.; Smet, P.F.; Poelman, D.; Gauquelin, N.; Verbeeck, J.; Abakumov, A.M.; Hadermann, J.
	Title	KEu(MoO₄)₂ : polymorphism, structures, and luminescent properties			Type	A1 Journal article
	Year	2015	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	27	Issue	27	Pages	5519-5530
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this paper, with the example of two different polymorphs of KEu(MoO4)2, the influence of the ordering of the A-cations on the luminescent properties in scheelite related compounds (A′,A″)n[(B′,B″)O4]m is investigated. The polymorphs were synthesized using a solid state method. The study confirmed the existence of only two polymorphic forms at annealing temperature range 9231203 K and ambient pressure: a low temperature anorthic α-phase and a monoclinic high temperature β-phase with an incommensurately modulated structure. The structures of both polymorphs were solved using transmission electron microscopy and refined from synchrotron powder X-ray diffraction data. The monoclinic β-KEu(MoO4)2 has a (3+1)-dimensional incommensurately modulated structure (superspace group I2/b(αβ0)00, a = 5.52645(4) Å, b = 5.28277(4) Å, c = 11.73797(8) Å, γ = 91.2189(4)o, q = 0.56821(2)a0.12388(3)b), whereas the anorthic α-phase is (3+1)-dimensional commensurately modulated (superspace group I1̅(αβγ)0, a = 5.58727(22) Å, b = 5.29188(18)Å, c = 11.7120(4) Å, α = 90.485(3)o, β = 88.074(3)o, γ = 91.0270(23)o, q = 1/2a* + 1/2c*). In both cases the modulation arises due to Eu/K cation ordering at the A site: the formation of a 2-dimensional Eu3+ network is characteristic for the α-phase, while a 3-dimensional Eu3+-framework is observed for the β-phase structure. The luminescent properties of KEu(MoO4)2 samples prepared under different annealing conditions were measured, and the relation between their optical properties and their structures is discussed.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000360323700011	Publication Date	2015-07-29
	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	26	Open Access
	Notes	278510 Vortex; Fwo G039211n; G004413n ECASJO_;			Approved	Most recent IF: 9.466; 2015 IF: 8.354
	Call Number	c:irua:127244			Serial	3537
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	Author	Fedotov, S.S.; Khasanova, N.R.; Samarin, A.S.; Drozhzhin, O.A.; Batuk, D.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V.
	Title	AVPO₄F (A = Li, K): A 4 V Cathode Material for High-Power Rechargeable Batteries			Type	A1 Journal article
	Year	2016	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	28	Issue	28	Pages	411-415
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A novel potassium-based fluoride-phosphate, KVPO4F, with a KTiOPO4 (KTP) type structure is synthesized and characterized. About 85% of potassium has been electrochemically extracted on oxidation producing a cathode material with attractive performance for Li-ion batteries. The material operates at the electrode potential near 4V vs Li/Li+ exhibiting a sloping voltage profile, extremely low polarization, small volume change of about 2% and excellent rate capability, maintaining more than 75% of the initial capacity at 40C discharge rate without significant fading.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000368949900002	Publication Date	2016-01-04
	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	46	Open Access
	Notes	The authors kindly thank Dr. S. N. Putilin for XRD measurements, Dr. O. A. Shlyakhtin for the assistance in cryochemical synthesis, Ph.D. students A. A. Sadovnikov and E. A. Karpukhina for SEM imaging and FTIR spectra respectively. The work was partly supported by Russian Science Foundation (grant 16-19-00190), Skoltech Center for Electrochemical Energy Storage and Moscow State University Devel-opment Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N.			Approved	Most recent IF: 9.466
	Call Number	c:irua:131583			Serial	4001
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	Author	Karakulina, O.M.; Khasanova, N.R.; Drozhzhin, O.A.; Tsirlin, A.A.; Hadermann, J.; Antipov, E.V.; Abakumov, A.M.
	Title	Antisite Disorder and Bond Valence Compensation in Li₂FePO₄F Cathode for Li-Ion Batteries			Type	A1 Journal article
	Year	2016	Publication	Chemistry Of Materials	Abbreviated Journal	Chem Mater
	Volume	28	Issue	28	Pages	7578-7581
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000387518500004	Publication Date	2016-11-08
	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	10	Open Access
	Notes	Russian Science Foundation, 16-19-00190 ; Fonds Wetenschappelijk Onderzoek, G040116N ;			Approved	Most recent IF: 9.466
	Call Number	EMAT @ emat @ c:irua:139170 c:irua:138599			Serial	4320
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	Author	Verchenko, V.Y.; Wei, Z.; Tsirlin, A.A.; Callaert, C.; Jesche, A.; Hadermann, J.; Dikarev, E.V.; Shevelkov, A.V.
	Title	Crystal growth of the Nowotny chimney ladder phase Fe₂Ge₃ : exploring new Fe-based narrow-gap semiconductor with promising thermoelectric performance			Type	A1 Journal article
	Year	2017	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	29	Issue	23	Pages	9954-9963
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('A new synthetic approach based on chemical transport reactions has been introduced to obtain the Nowotny chimney ladder phase Fe2Ge3 in the form of single crystals and polycrystalline powders. The single crystals possess the stoichiometric composition and the commensurate chimney ladder structure of the Ru2Sn3 type in contrast to the polycrystalline samples that are characterized by a complex microstructure. In compliance with the 18-n electron counting rule formulated for T-E intermetallics, electronic structure calculations reveal a narrow-gap semiconducting behavior of Fe2Ge3 favorable for high thermoelectric performance. Measurements of transport and thermoelectric properties performed on the polycrystalline samples confirm the formation of a narrow band gap of similar to 30 meV and reveal high absolute values of the Seebeck coefficient at elevated temperatures. Low glass-like thermal conductivity is observed in a wide temperature range that might be caused by the underlying complex microstructure.'));
	Address
	Corporate Author				Thesis
	Publisher	American Chemical Society	Place of Publication	Washington, D.C	Editor
	Language		Wos	000418206600013	Publication Date	2017-11-14
	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	11	Open Access	OpenAccess
	Notes	; The authors thank Dr. Sergey Kazakov and Oleg Tyablikov for their help with the PXRD experiments. V.Y.V. appreciates the help of Dr. Sergey Dorofeev in provision and handling of the Mo(CO)<INF>6</INF> reagent. The work is supported by the Russian Science Foundation, Grant No. 17-13-01033. V.Y.V. appreciates the support from the European Regional Development Fund, Project No. TK134. A.A.T. acknowledges financial support by the Federal Ministry for Education and Research under the Sofia Kovalevskaya Award of the Alexander von Humboldt Foundation. E.V.D. thanks the National Science Foundation, Grant No. CHE-1152441. C.C. acknowledges the support from the University of Antwerp through the BOF Grant No. 31445. ;			Approved	Most recent IF: 9.466
	Call Number	UA @ lucian @ c:irua:148531			Serial	4869
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	Author	Savina, A.A.; Morozov, V.A.; Buzlukov, A.L.; Arapova, I.Y.; Stefanovich, S.Y.; Baklanova, Y.V.; Denisova, T.A.; Medvedeva, N.I.; Bardet, M.; Hadermann, J.; Lazoryak, B.I.; Khaikina, E.G.
	Title	New solid electrolyte Na₉Al(MoO₄)₆ : structure and Na⁺ ion conductivity			Type	A1 Journal article
	Year	2017	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	29	Issue	20	Pages	8901-8913
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	<script type='text/javascript'>document.write(unpmarked('Solid electrolytes are important materials with a wide range of technological applications. This work reports the crystal structure and electrical properties of a new solid electrolyte Na9Al(MoO4)(6). The monoclinic Na9Al(MoO4)(6) consists of isolated polyhedral, [Al(MoO4)(6)](9-) clusters composed of a central AlO6 octahedron sharing vertices with six MoO4 tetrahedra to form a three-dimensional framework. The AlO6 octahedron also shares edges with one NalO(6) octahedron and two Na2O(6) octahedra. Na3-Na5 atoms are located in the framework cavities. The structure is related to that of sodium ion conductor II-Na3Fe2(AsO4)(3). High-temperature conductivity measurements revealed that the conductivity (sigma) of Na9Al(MoO4)(6) at 803 K equals 1.63 X 10(-2) S cm(-1). The temperature behavior of the Na-23 and Al-27 nuclear magnetic resonance spectra and the spin-lattice relaxation rates of the Na-23 nuclei indicate the presence of fast Na+ ion diffusion in the studied compound. At T\u003C490 K, diffusion occurs by means of Na+ ion jumps exclusively through the sublattice of Na3-Na5 positions, whereas Na1 and Na2 become involved in the diffusion processes (through chemical exchange with the Na3-Na5 sublattice) only at higher temperatures.'));
	Address
	Corporate Author				Thesis
	Publisher	American Chemical Society	Place of Publication	Washington, D.C	Editor
	Language		Wos	000413884900037	Publication Date	2017-09-26
	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	13	Open Access	OpenAccess
	Notes	; The research was performed within the state assignment of FASO of Russia (Themes 01201463330, A16-116122810214-9, and 0339-2016-0007), supported in part by the Russian Foundation for Basic Research (Projects 16-03-00510, 16-03-00164, and 17-03-00333). ;			Approved	Most recent IF: 9.466
	Call Number	UA @ lucian @ c:irua:147432			Serial	4886
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	Author	Pearce, P.E.; Rousse, G.; Karakulina, O.M.; Hadermann, J.; Van Tendeloo, G.; Foix, D.; Fauth, F.; Abakumov, A.M.; Tarascon, J.-M.
	Title	β-Na_1.7IrO₃: A Tridimensional Na-Ion Insertion Material with a Redox Active Oxygen Network			Type	A1 Journal article
	Year	2018	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	30	Issue	10	Pages	3285-3293
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The revival of the Na-ion battery concept has prompted an intense search for new high capacity Na-based positive electrodes. Recently, emphasis has been placed on manipulating Na-based layered compounds to trigger the participation of the anionic network. We further explored this direction and show the feasibility of achieving anionic-redox activity in three-dimensional Na-based compounds. A new 3D β-Na1.7IrO3 phase was synthesized in a two-step process, which involves first the electrochemical removal of Li from β-Li2IrO3 to produce β-IrO3, which is subsequently reduced by electrochemical Na insertion. We show that β-Na1.7IrO3 can reversibly uptake nearly 1.3 Na+ per formula unit through an uneven voltage profile characterized by the presence of four plateaus related to structural transitions. Surprisingly, the β-Na1.7IrO3 phase was found to be stable up to 600 °C, while it could not be directly synthesized via conventional synthetic methods. Although these Na-based iridate phases are of limited practical interest, they help to understand how introducing highly polarizable guest ions (Na+) into host rocksalt-derived oxide structures affects the anionic redox mechanism.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000433403800014	Publication Date	2018-05-22
	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	6	Open Access	OpenAccess
	Notes	The authors thank A. Perez for fruitful discussions and his valuable help in synchrotron XRD experiment and Matthieu Courty for carrying out the DSC measurements. The authors also greatly thank Matthieu Saubanère and Marie-Liesse Doublet for valuable discussions on theoretical aspects of this work. This work is based on experiments performed on the Materials Science and Powder Diffraction Beamline at ALBA synchrotron (Proposal 2016091814), Cerdanyola del Vallès, E- 08290 Barcelona, Spain. J.-M.T. acknowledges funding from the European Research Council (ERC) (FP/2014)/ERC Grant- Project 670116-ARPEMA. G.R. acknowledges funding from ANR DeliRedox. O.M.K., J.H., and A.M.A. are grateful to FWO Vlaanderen for financial support under Grant G040116N.			Approved	Most recent IF: 9.466
	Call Number	EMAT @ emat @c:irua:152048			Serial	4996
Permanent link to this record



	Author	Tan, X.; Stephens, P.W.; Hendrickx, M.; Hadermann, J.; Segre, C.U.; Croft, M.; Kang, C.-J.; Deng, Z.; Lapidus, S.H.; Kim, S.W.; Jin, C.; Kotliar, G.; Greenblatt, M.
	Title	Tetragonal Cs_1.17In_0.81Cl₃ : a charge-ordered indium halide perovskite derivative			Type	A1 Journal article
	Year	2019	Publication	Chemistry of materials	Abbreviated Journal	Chem Mater
	Volume	31	Issue	6	Pages	1981-1989
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Polycrystalline samples of Cs1.17In0.81Cl3 were prepared by annealing a mixture of CsCl, InCl, and InCl3, stoichiometric for the targeted CsInCl3. Synchrotron powder X-ray diffraction refinement and chemical analysis by energy dispersive X-ray indicated that Cs1.17In0.81Cl3, a tetragonal distorted perovskite derivative (I4/m), is the thermodynamically stable product. The refined unit cell parameters and space group were confirmed by electron diffraction. In the tetragonal structure, In+ and In3+ are located in four different crystallographic sites, consistent with their corresponding bond lengths. In1, In2, and In3 are octahedrally coordinated, whereas In4 is at the center of a pentagonal bipyramid of Cl because of the noncooperative octahedral tilting of In4Cl6. The charged-ordered In+ and In3+ were also confirmed by X-ray absorption and Raman spectroscopy. Cs1.17In0.81Cl3 is the first example of an inorganic halide double perovskite derivative with charged-ordered In+ and In3+. Band structure and optical conductivity calculations were carried out with both generalized gradient approximation (GGA) and modified Becke-Johnson (mBJ) approach; the GGA calculations estimated the band gap and optical band gap to be 2.27 eV and 2.4 eV, respectively. The large and indirect band gap suggests that Cs1.17In0.81Cl3 is not a good candidate for photovoltaic application.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000462950400017	Publication Date	2019-02-19
	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	6	Open Access	OpenAccess
	Notes	; M.G. and X.T. were supported by the Center for Computational Design of Functional Strongly Correlated Materials and Theoretical Spectroscopy under DOE Grant No. DE-FOA-0001276. M.G. also acknowledges support of NSF-DMR-1507252 grant. G.K. and C.-J.K. were supported by the Air Force Office of Scientific Research. MRCAT operations are supported by the Department of Energy and the MRCAT member institutions. The use of the Advanced Photon Source at the Argonne National Laboratory was supported by the U.S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The works at IOPCAS were supported by NSF & MOST of China through research projects. ;			Approved	Most recent IF: 9.466
	Call Number	UA @ admin @ c:irua:159413			Serial	5262
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	Author	Skaggs, C.M.; Kang, C.-J.; Perez, C.J.; Hadermann, J.; Emge, T.J.; Frank, C.E.; Pak, C.; Lapidus, S.H.; Walker, D.; Kotliar, G.; Kauzlarich, S.M.; Tan, X.; Greenblatt, M.
	Title	Ambient and high pressure CuNiSb₂ : metal-ordered and metal-disordered NiAs-type derivative pnictides			Type	A1 Journal article
	Year	2020	Publication	Inorganic Chemistry	Abbreviated Journal	Inorg Chem
	Volume	59	Issue	19	Pages	14058-14069
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The mineral Zlatogorite, CuNiSb2, was synthesized in the laboratory for the first time by annealing elements at ambient pressure (CuNiSb2-AP). Rietveld refinement of synchrotron powder X-ray diffraction data indicates that CuNiSb2-AP crystallizes in the NiAs-derived structure (P (3) over bar m1, #164) with Cu and Ni ordering. The structure consists of alternate NiSb6 and CuSb6 octahedral layers via face-sharing. The formation of such structure instead of metal disordered NiAs-type structure (P6(3)/mmc, #194) is validated by the lower energy of the ordered phase by first-principle calculations. Interatomic crystal orbital Hamilton population, electron localization function, and charge density analysis reveal strong Ni-Sb, Cu-Sb, and Cu-Ni bonding and long weak Sb-Sb interactions in CuNiSb2-AP. The magnetic measurement indicates that CuNiSb2-AP is Pauli paramagnetic. First-principle calculations and experimental electrical resistivity measurements reveal that CuNiSb2-AP is a metal. The low Seebeck coefficient and large thermal conductivity suggest that CuNiSb2 is not a potential thermoelectric material. Single crystals were grown by chemical vapor transport. The high pressure sample (CuNiSb2-8 GPa) was prepared by pressing CuNiSb2-AP at 700 degrees C and 8 GPa. However, the structures of single crystal and CuNiSb2-8 GPa are best fit with a disordered metal structure in the P (3) over bar m1 space group, corroborated by transmission electron microscopy.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000580381700028	Publication Date	2020-09-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	4.6	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.6; 2020 IF: 4.857
	Call Number	UA @ admin @ c:irua:174331			Serial	6714
Permanent link to this record



	Author	Xu, X.; Jones, M.A.; Cassidy, S.J.; Manuel, P.; Orlandi, F.; Batuk, M.; Hadermann, J.; Clarke, S.J.
	Title	Magnetic Ordering in the Layered Cr(II) Oxide Arsenides Sr₂CrO₂Cr₂As₂and Ba₂CrO₂Cr₂As₂			Type	A1 Journal article
	Year	2020	Publication	Inorganic Chemistry	Abbreviated Journal	Inorg Chem
	Volume	59	Issue	21	Pages	15898-15912
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Sr2CrO2Cr2As2 and Ba2CrO2Cr2As2 with Cr2+ ions in CrO2 sheets and in CrAs layers crystallize with the Sr2Mn3Sb2O2 structure (space group I4/mmm, Z = 2) and lattice parameters a = 4.00800(2) Å, c = 18.8214(1) Å (Sr2CrO2Cr2As2) and a = 4.05506(2) Å, c = 20.5637(1) Å (Ba2CrO2Cr2As2) at room temperature. Powder neutron diffraction reveals checkerboard-type antiferromagnetic ordering of the Cr2+ ions in the arsenide layers below TN1Sr, of 600(10) K (Sr2CrO2Cr2As2) and TN1Ba 465(5) K (Ba2CrO2Cr2As2) with the moments initially directed perpendicular to the layers in both compounds. Checkerboard-type antiferromagnetic ordering of the Cr2+ ions in the oxide layer below 230(5) K for Ba2CrO2Cr2As2 occurs with these moments also perpendicular to the layers, consistent with the orientation preferences of d4 moments in the two layers. In contrast, below 330(5) K in Sr2CrO2Cr2As2, the oxide layer Cr2+ moments are initially oriented in the CrO2 plane; but on further cooling, these moments rotate to become perpendicular to the CrO2 planes, while the moments in the arsenide layers rotate by 90° with the moments on the two sublattices remaining orthogonal throughout [behavior recently reported independently by Liu et al. [Liu et al. Phys. Rev. B 2018, 98, 134416]]. In Sr2CrO2Cr2As2, electron diffraction and high resolution powder X-ray diffraction data show no evidence for a structural distortion that would allow the two Cr2+ sublattices to couple, but high resolution neutron powder diffraction data suggest a small incommensurability between the magnetic structure and the crystal structure, which may account for the coupling of the two sublattices and the observed spin reorientation. The saturation values of the Cr2+ moments in the CrO2 layers (3.34(1) μB (for Sr2CrO2Cr2As2) and 3.30(1) μB (for Ba2CrO2Cr2As2)) are larger than those in the CrAs layers (2.68(1) μB for Sr2CrO2Cr2As2 and 2.298(8) μB for Ba2CrO2Cr2As2) reflecting greater covalency in the arsenide layers.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000588738100035	Publication Date	2020-11-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.6	Times cited		Open Access	OpenAccess
	Notes	We thank the UK EPSRC (EP/M020517/1 and EP/P018874/ 1) and the Leverhulme Trust (RPG-2014-221) for funding and the ISIS pulsed neutron and muon source (RB1610357 and RB1700075) and the Diamond Light Source Ltd. (EE13284 and EE18786) for the award of beam time. We thank Dr. A. Baker and Dr. C. Murray for support on I11.			Approved	Most recent IF: 4.6; 2020 IF: 4.857
	Call Number	EMAT @ emat @c:irua:176058			Serial	6704
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	Author	Sheath, B.C.; Xu, X.; Manuel, P.; Hadermann, J.; Batuk, M.; O'Sullivan, J.; Bonilla, R.S.; Clarke, S.J.
	Title	Structures and magnetic ordering in layered Cr oxide arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs			Type	A1 Journal article
	Year	2022	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	61	Issue	31	Pages	10-12385
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Two novel chromium oxide arsenide materials have been synthesized, Sr2CrO2Cr2OAs2 (i.e., Sr2Cr3As2O3) and Sr2CrO3CrAs (i.e., Sr2Cr2AsO3), both of which contain chromium ions in two distinct layers. Sr2CrO2Cr2OAs2 was targeted following electron microscopy measurements on a related phase. It crystallizes in the space group P4/mmm and accommodates distorted CrO4As2 octahedra containing Cr2+ and distorted CrO(2)As(4 )octahedra containing Cr3+. In contrast, Sr2CrO3CrAs incorporates Cr3+ in CrO5 square-pyramidal coordination in [Sr2CrO3](+) layers and Cr2+ ions in CrAs(4 )tetrahedra in [CrAs](-) layers and crystallizes in the space group P4/nmm. Powder neutron diffraction data reveal antiferromagnetic ordering in both compounds. In Sr2CrO3CrAs the Cr2+ moments in the [CrAs](-) layers exhibit long-range ordering, while the Cr3+ moments in the [Sr2CrO3](+) layers only exhibit short-range ordering. However, in Sr2CrO2Cr2OAs2, both the Cr(2+ )moments in the CrO4As2 environments and the Cr3+ moments in the CrO2As4 polyhedra are long-range-ordered below 530(10) K. Above this temperature, only the Cr3+ moments are ordered with a Neel temperature slightly in excess of 600 K. A subtle structural change is evident in Sr2CrO2Cr2OAs2 below the magnetic ordering transitions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000841943600001	Publication Date	2022-07-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.6	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.6
	Call Number	UA @ admin @ c:irua:190007			Serial	7215
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	Author	Mikhailova, D.; Karakulina, O.M.; Batuk, D.; Hadermann, J.; Abakumov, A.M.; Herklotz, M.; Tsirlin, A.A.; Oswald, S.; Giebeler, L.; Schmidt, M.; Eckert, J.; Knapp, M.; Ehrenberg, H.
	Title	Layered-to-Tunnel Structure Transformation and Oxygen Redox Chemistry in LiRhO₂upon Li Extraction and Insertion			Type	A1 Journal article
	Year	2016	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	55	Issue	55	Pages	7079-7089
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Layered Li(M,Li)O2 (where M is a transition metal) ordered rock-salt-type structures are used in advanced metal-ion batteries as one of the best hosts for the reversible intercalation of Li ions. Besides the conventional redox reaction involving oxidation/reduction of the M cation upon Li extraction/insertion, creating oxygen-located holes because of the partial oxygen oxidation increases capacity while maintaining the oxidized oxygen species in the lattice through high covalency of the M–O bonding. Typical degradation mechanism of the Li(M,Li)O2 electrodes involves partially irreversible M cation migration toward the Li positions, resulting in gradual capacity/voltage fade. Here, using LiRhO2 as a model system (isostructural and isoelectronic to LiCoO2), for the first time, we demonstrate an intimate coupling between the oxygen redox and M cation migration. A formation of the oxidized oxygen species upon electrochemical Li extraction coincides with transformation of the layered Li1–xRhO2 structure into the γ-MnO2-type rutile–ramsdellite intergrowth LiyRh3O6 structure with rutile-like [1 × 1] channels along with bigger ramsdellite-like [2 × 1] tunnels through massive and concerted Rh migration toward the empty positions in the Li layers. The oxidized oxygen dimers with the O–O distances as short as 2.26 Å are stabilized in this structure via the local Rh–O configuration reminiscent to that in the μ-peroxo-μ-hydroxo Rh complexes. The LiyRh3O6 structure is remarkably stable upon electrochemical cycling illustrating that proper structural implementation of the oxidized oxygen species can open a pathway toward deliberate employment of the anion redox chemistry in high-capacity/high-voltage positive electrodes for metal-ion batteries. Upon chemical or electrochemical oxidation, layered LiRhO2 shows a unique structural transformation that involves both cation migration and oxidation of oxygen resulting in a stable tunnel-like rutile−ramsdellite intergrowth LiyRh3O6 structure. This structure demonstrates excellent performance with the steady and reversible capacity of ∼200 mAh/g. The stability of LiyRh3O6 is rooted in the accommodation of partially oxidized oxygen species through the formation of short O−O distances that are compatible with the connectivity of RhO6 octahedra.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000380181400035	Publication Date	2016-07-18
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	12	Open Access
	Notes	Bundesministerium fur Bildung und Forschung, 03SF0477B ; Fonds Wetenschappelijk Onderzoek, G040116N ;			Approved	Most recent IF: 4.857
	Call Number	EMAT @ emat @ c:irua:140848			Serial	4424
Permanent link to this record



	Author	Tunca, B.; Lapauw, T.; Karakulina, O.M.; Batuk, M.; Cabioc’h, T.; Hadermann, J.; Delville, R.; Lambrinou, K.; Vleugels, J.
	Title	Synthesis of MAX Phases in the Zr-Ti-Al-C System			Type	A1 Journal article
	Year	2017	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	56	Issue	56	Pages	3489-3498
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This study reports on the synthesis and characterization of MAX phases in the (Zr,Ti)n+1AlCn system. The MAX phases were synthesized by reactive hot pressing and pressureless sintering in the 1350–1700 °C temperature range. The produced ceramics contained large fractions of 211 and 312 (n = 1, 2) MAX phases, while strong evidence of a 413 (n = 3) stacking was found. Moreover, (Zr,Ti)C, ZrAl2, ZrAl3, and Zr2Al3 were present as secondary phases. In general, the lattice parameters of the hexagonal 211 and 312 phases followed Vegard’s law over the complete Zr-Ti solid solution range, but the 312 phase showed a non-negligible deviation from Vegard’s law around the (Zr0.33,Ti0.67)3Al1.2C1.6 stoichiometry. High-resolution scanning transmission electron microscopy combined with X-ray diffraction demonstrated ordering of the Zr and Ti atoms in the 312 phase, whereby Zr atoms occupied preferentially the central position in the close-packed M6X octahedral layers. The same ordering was also observed in 413 stackings present within the 312 phase. The decomposition of the secondary (Zr,Ti)C phase was attributed to the miscibility gap in the ZrC-TiC system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000397171100045	Publication Date	2017-03-20
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	26	Open Access	OpenAccess
	Notes	Fonds Wetenschappelijk Onderzoek, G.0431.10N.F ; Agentschap voor Innovatie door Wetenschap en Technologie, 131081 ; European Atomic Energy Community, 604862 ; SCK-CEN Academy for Nuclear Science and Technology; Hercules Foundation, Project/Award no: AKUL/1319 Project/Award no: ZW09-09 ;			Approved	Most recent IF: 4.857
	Call Number	EMAT @ emat @ c:irua:141794			Serial	4491
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	Author	Cassidy, S.J.; Orlandi, F.; Manuel, P.; Hadermann, J.; Scrimshire, A.; Bingham, P.A.; Clarke, S.J.
	Title	Complex Magnetic Ordering in the Oxide Selenide Sr2Fe3Se2O3			Type	A1 Journal article
	Year	2018	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	57	Issue	16	Pages	10312-10322
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000442489100078	Publication Date	2018-07-31
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	2	Open Access	OpenAccess
	Notes	; S. J. Cassidy prepared the samples and performed the diffraction and magnetometry measurements. F.O., P.M., and S. J. Cassidy measured and interpreted the NPD data. J.H. performed and interpreted the electron diffraction measurements. A.S. and P.A.B. performed and interpreted the Mossbauer spectroscopy measurements. S. J. Cassidy and S. J. Clarke conceived the project and wrote the paper with input from all co-authors. We acknowledge the financial support of the EPSRC (Grants EP/I017844/1, EP/P018874/1, and EP/ M020517/1), and the Leverhulme Trust (RPG-2014-221). We thank the ESTEEM2 network for enabling the electron microscopy investigations, the ISIS facility for the award of beamtime on WISH (RB1610357), and the Diamond Light Source Ltd. for the award of beam time on I11 (allocation EE13284). We thank Dr. C. Murray, Dr. S. Day and Dr. A. Baker for assistance on I11 and Dr. M. Coduri and Dr. A. N. Fitch for assistance on ID22. ;			Approved	Most recent IF: 4.857
	Call Number	UA @ lucian @ c:irua:153723			Serial	5085
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	Author	Cassidy, S.J.; Pitcher, M.J.; Lim, J.J.K.; Hadermann, J.; Allen, J.P.; Watson, G.W.; Britto, S.; Chong, E.J.; Free, D.G.; Grey, C.P.; Clarke, S.J.
	Title	Layered CeSO and LiCeSO oxide chalcogenides obtained via topotactic oxidative and reductive transformations			Type	A1 Journal article
	Year	2019	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	58	Issue	6	Pages	3838-3850
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The chemical accessibility of the Celv oxidation state enables redox chemistry to be performed on the naturally coinagemetal -deficient phases CeM1-xSO (M = Cu, Ag). A metastable black compound with the PbFC1 structure type (space group P4/nmm: a = 3.8396(1) angstrom, c = 6.607(4) angstrom, V = 97.40(6) angstrom(3)) and a composition approaching CeSO is obtained by deintercalation of Ag from CeAg0.8SO. High-resolution transmission electron microscopy reveals the presence of large defect-free regions in CeSO, but stacking faults are also evident which can be incorporated into a quantitative model to account for the severe peak anisotropy evident in all the highresolution X-ray and neutron diffractograms of bulk CeSO samples; these suggest that a few percent of residual Ag remains. A strawcolored compound with the filled PbFCI (i.e., ZrSiCuAs- or HfCuSi2type) structure (space group P4/nmm: a = 3.98171(1) angstrom, c = 8.70913(5) angstrom, V = 138.075(1) angstrom 3) and a composition close to LiCeSO, but with small amounts of residual Ag, is obtained by direct reductive lithiation of CeAga8S0 or by insertion of Li into CeSO using chemical or electrochemical means. Computation of the band structure of pure, stoichiometric CeSO predicts it to be a Ce' compound with the 4f-states lying approximately 1 eV above the sulfide-dominated valence band maximum. Accordingly, the effective magnetic moment per Ce ion measured in the CeSO samples is much reduced from the value found for the Ce3+-containing LiCeSO, and the residual paramagnetism corresponds to the Ce3+ ions remaining due to the presence of residual Ag, which presumably reflects the difficulty of stabilizing Ce' in the presence of sulfide (S2-). Comparison of the behavior of CeCu0.8SO with that of CeCu0.8SO reveals much slower reaction kinetics associated with the Cu,_xS layers, and this enables intermediate CeCui LixSO phases to be isolated.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000461978700036	Publication Date	2019-02-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited		Open Access	OpenAccess
	Notes	; We thank the UK EPSRC (EP/M020517/1 and EP/P018874/1), the Leverhulme Trust (RPG-2014-221), and Science Foundation Ireland (Grant 12/IA/1414) for funding and the EPSRC for additional studentship support. We acknowledge the ISIS pulsed neutron and muon source and the Diamond Light Source Ltd. (EE13284 and EE18786) and the ESRF for the award of beam time. We thank Dr. R I. Smith for assistance on the neutron beamlines, Dr. A. Baker and Dr. C. Murray for support on III, and Dr. C. Curls for support on ID31. ;			Approved	Most recent IF: 4.857
	Call Number	UA @ admin @ c:irua:159426			Serial	5253
Permanent link to this record



	Author	Jin, L.; Batuk, M.; Kirschner, F.K.K.; Lang, F.; Blundell, S.J.; Hadermann, J.; Hayward, M.A.
	Title	Exsolution of SrO during the Topochemical Conversion of LaSr₃CoRuO₈to the Oxyhydride LaSr₃CoRuO₄H₄			Type	A1 Journal article
	Year	2019	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	58	Issue	21	Pages	14863-14870
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Reaction of the n = 1 Ruddlesden-Popper oxide LaSr3CoRuO8 with CaH2 yields the oxyhydride phase LaSr3CoRuO4H4 via topochemical anion-exchange. Close inspection of X-ray and neutron powder diffraction data in combination with HAADF-STEM images reveals that nanoparticles of SrO are exsolved from the system during the reaction, with the change in cation stoichiometry accommodated by the inclusion of n > 1 (Co/Ru)nOn+1H2n ‘perovskite’ layers into the Ruddlesden-Popper stacking sequence. This novel pseudo-topochemical process offers a new route for the formation of n > 1 Ruddlesden-Popper structured materials. Magnetization data are consistent with a LaSr3Co1+Ru2+O4H4 (Co1+, d8, S = 1; Ru2+, d6, S = 0) oxidation/spin state combination. Neutron diffraction and μ+SR data show no evidence for long-range magnetic order down to 2 K, suggesting the diamagnetic Ru2+ centers impede the Co-Co magnetic exchange interactions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000494894400062	Publication Date	2019-11-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0020-1669	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.857	Times cited	1	Open Access
	Notes	We thank P. Manuel for assistance collecting the neutron powder diffraction data. We thank The Leverhulme Trust grant award RPG-2014-366 “Topochemical reduction of 4d and 5d transition metal oxides” for supporting this work. Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE13284). Investigation by TEM was supported through the FWO grant G035619N.			Approved	Most recent IF: 4.857
	Call Number	EMAT @ emat @c:irua:164625			Serial	5434
Permanent link to this record



	Author	Karakulina, O.M.; Demortière, A.; Dachraoui, W.; Abakumov, A.M.; Hadermann, J.
	Title	In Situ Electron Diffraction Tomography Using a Liquid-Electrochemical Transmission Electron Microscopy Cell for Crystal Structure Determination of Cathode Materials for Li-Ion batteries			Type	A1 Journal article
	Year	2018	Publication	Nano letters	Abbreviated Journal	Nano Lett
	Volume	18	Issue	10	Pages	6286-6291
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	We demonstrate that changes in the unit cell structure of lithium battery cathode materials during electrochemical cycling in liquid electrolyte can be determined for particles of just a few hundred nanometers in size using in situ transmission electron microscopy (TEM). The atomic coordinates, site occupancies (including lithium occupancy), and cell parameters of the materials can all be reliably quantified. This was achieved using electron diffraction tomography (EDT) in a sealed electrochemical cell with conventional liquid electrolyte (LP30) and LiFePO4 crystals, which have a well-documented charged structure to use as reference. In situ EDT in a liquid environment cell provides a viable alternative to in situ X-ray and neutron diffraction experiments due to the more local character of TEM, allowing for single crystal diffraction data to be obtained from multiphased powder samples and from submicrometer- to nanometer-sized particles. EDT is the first in situ TEM technique to provide information at the unit cell level in the liquid environment of a commercial TEM electrochemical cell. Its application to a wide range of electrochemical experiments in liquid environment cells and diverse types of crystalline materials can be envisaged.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000447355400024	Publication Date	2018-10-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1530-6984	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.712	Times cited	12	Open Access	Not_Open_Access: Available from 08.09.2019
	Notes	O.M. Karakulina, A.M. Abakumov and J. Hadermann acknowledge support from FWO under grant G040116N. A. Demortière wants to thank the French network on the electrochemical energy storage (RS2E), the Store-Ex Labex, for the financial support. Finally, the Fonds Européen de Développement Régional (FEDER), CNRS, Région Hauts-de-France, and Ministère de l’Education Nationale de l’Enseignement Supérieur et de la Recherche are acknowledged for funding.			Approved	Most recent IF: 12.712
	Call Number	EMAT @ emat @c:irua:154750			Serial	5063
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	Author	Paulus, A.; Hendrickx, M.; Mayda, S.; Batuk, M.; Reekmans, G.; von Holst, M.; Elen, K.; Abakumov, A.M.; Adriaensens, P.; Lamoen, D.; Partoens, B.; Hadermann, J.; Van Bael, M.K.; Hardy, A.
	Title	Understanding the Activation of Anionic Redox Chemistry in Ti⁴⁺-Substituted Li₂MnO₃as a Cathode Material for Li-Ion Batteries			Type	A1 Journal article
	Year	2023	Publication	ACS applied energy materials	Abbreviated Journal	ACS Appl. Energy Mater.
	Volume	6	Issue	13	Pages	6956-6971
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	Layered Li-rich oxides, demonstrating both cationic and anionic redox chemistry being used as positive electrodes for Li-ion batteries,have raised interest due to their high specific discharge capacities exceeding 250 mAh/g. However, irreversible structural transformations triggered by anionic redox chemistry result in pronounced voltagefade (i.e., lowering the specific energy by a gradual decay of discharge potential) upon extended galvanostatic cycling. Activating or suppressing oxygen anionic redox through structural stabilization induced by redox-inactivecation substitution is a well-known strategy. However, less emphasishas been put on the correlation between substitution degree and theactivation/suppression of the anionic redox. In this work, Ti4+-substituted Li2MnO3 was synthesizedvia a facile solution-gel method. Ti4+ is selected as adopant as it contains no partially filled d-orbitals. Our study revealedthat the layered “honeycomb-ordered” C2/m structure is preserved when increasing the Ticontent to x = 0.2 in the Li2Mn1-x Ti (x) O-3 solidsolution, as shown by electron diffraction and aberration-correctedscanning transmission electron microscopy. Galvanostatic cycling hintsat a delayed oxygen release, due to an improved reversibility of theanionic redox, during the first 10 charge-discharge cyclesfor the x = 0.2 composition compared to the parentmaterial (x = 0), followed by pronounced oxygen redoxactivity afterward. The latter originates from a low activation energybarrier toward O-O dimer formation and Mn migration in Li2Mn0.8Ti0.2O3, as deducedfrom first-principles molecular dynamics (MD) simulations for the“charged” state. Upon lowering the Ti substitution to x = 0.05, the structural stability was drastically improvedbased on our MD analysis, stressing the importance of carefully optimizingthe substitution degree to achieve the best electrochemical performance.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001018266700001	Publication Date	2023-07-10
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2574-0962	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.4	Times cited		Open Access	Not_Open_Access: Available from 24.12.2023
	Notes	Universiteit Hasselt, AUHL/15/2 – GOH3816N ; Russian Science Foundation, 20-43-01012 ; Fonds Wetenschappelijk Onderzoek, AUHL/15/2 – GOH3816N G040116N ; The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by the FWO Vlaanderen and the Flemish Government-department EWI.			Approved	Most recent IF: 6.4; 2023 IF: NA
	Call Number	EMAT @ emat @c:irua:198160			Serial	8809
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	Author	Zeng, Y.-J.; Gauquelin, N.; Li, D.-Y.; Ruan, S.-C.; He, H.-P.; Egoavil, R.; Ye, Z.-Z.; Verbeeck, J.; Hadermann, J.; Van Bael, M.J.; Van Haesendonck, C.
	Title	Co-Rich ZnCoO Nanoparticles Embedded in Wurtzite Zn1-xCoxO Thin Films: Possible Origin of Superconductivity			Type	A1 Journal article
	Year	2015	Publication	ACS applied materials and interfaces	Abbreviated Journal	Acs Appl Mater Inter
	Volume	7	Issue	7	Pages	22166-22171
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Co-rich ZnCoO nanoparticles embedded in wurtzite Zn0.7Co0.3O thin films are grown by pulsed laser deposition on a Si substrate. Local superconductivity with an onset Tc at 5.9 K is demonstrated in the hybrid system. The unexpected superconductivity probably results from Co(3+) in the Co-rich ZnCoO nanoparticles or from the interface between the Co-rich nanoparticles and the Zn0.7Co0.3O matrix.
	Address	Solid State Physics and Magnetism Section, KU Leuven , Celestijnenlaan 200 D, BE-3001 Leuven, Belgium
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000363001500007	Publication Date	2015-09-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1944-8244;1944-8252;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	7.504	Times cited	13	Open Access
	Notes	This work has been supported by the Research Foundation − Flanders (FWO, Belgium) as well as by the Flemish Concerted Research Action program (BOF KU Leuven, GOA/14/007). N. G. and J. V. acknowledge funding from the European Research Council under the 7th Framework Program (FP7), ERC Starting Grant 278510 VORTEX. The Qu-Ant-EM microscope was partly funded by the Flemish Hercules Foundation. The work at Shenzhen University was supported by National Natural Science Foundation of China under Grant No. 61275144 and Natural Science Foundation of SZU. Y.-J. Z. acknowledges funding under grant No. SKL2015-12 from the State Key Laboratory of Silicon Materials; ECASJO_;			Approved	Most recent IF: 7.504; 2015 IF: 6.723
	Call Number	c:irua:129195 c:irua:129195UA @ admin @ c:irua:129195			Serial	3949
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	Author	Saveleva, V.A.; Wang, L.; Kasian, O.; Batuk, M.; Hadermann, J.; Gallet, J.-j.; Bournel, F.; Alonso-Vante, N.; Ozouf, G.; Beauger, C.; Mayrhofer, K.J.J.; Cherevko, S.; Gago, A.S.; Friedrich, K.A.; Zafeiratos, S.; Savinova, E.R.
	Title	Insight into the Mechanisms of High Activity and Stability of Iridium Supported on Antimony-Doped Tin Oxide Aerogel for Anodes of Proton Exchange Membrane Water Electrolyzers			Type	A1 Journal article
	Year	2020	Publication	Acs Catalysis	Abbreviated Journal	Acs Catal
	Volume	10	Issue	4	Pages	2508-2516
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The use of high amounts of iridium in industrial proton exchange membrane water electrolysers (PEMWE) could hinder their widespread use for the decarbonisation of society with hydrogen. Non-thermally oxidised Ir nanoparticles supported on antimony-doped tin oxide (SnO2:Sb, ATO) aerogel allow decreasing the use of the precious metal by more than 70 %, while enhancing the electro-catalytic activity and stability. To date the origin of these benefits remains unknown. Here we present clear evidence on the mechanisms that lead to the enhancement of the electrochemical properties of the catalyst. Operando near ambient pressure X-ray photoelectron spectroscopy on membrane electrode assemblies reveals a low degree of Ir oxidation, attributed to the oxygen spill-over from Ir to SnO2:Sb. Furthermore, the formation of highly unstable Ir(III) species is mitigated, while the decrease of Ir dissolution in Ir/SnO2:Sb is confirmed by inductively coupled plasma mass spectrometry (ICP-MS). The mechanisms that lead to the high activity and stability of Ir catalyst supported on SnO2:Sb aerogel for PEMWE are thus unveiled.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000516887400011	Publication Date	2020-02-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2155-5435	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	12.9	Times cited		Open Access	OpenAccess
	Notes	The research leading to these results has received funding from the European Union’s Seventh Framework Program (FP7/2007-2013) for Fuel Cell and Hydrogen Joint Technology (FCH JU) Initiative under Grant No. 621237 (INSIDE). In addition, A.S.G. and C.B. thank the European Union’s Horizon 2020 research and innovation programme for funding the project PRETZEL under grant agreement No 779478 and it is supported by FCH JU. Solvay is acknowledged for providing Aquivion membrane and ionomer.			Approved	Most recent IF: 12.9; 2020 IF: 10.614
	Call Number	EMAT @ emat @c:irua:167147			Serial	6341
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	Author	Yang, C.; Batuk, M.; Jacquet, Q.; Rousse, G.; Yin, W.; Zhang, L.; Hadermann, J.; Abakumov, A.M.; Cibin, G.; Chadwick, A.; Tarascon, J.-M.; Grimaud, A.
	Title	Revealing pH-Dependent Activities and Surface Instabilities for Ni-Based Electrocatalysts during the Oxygen Evolution Reaction			Type	A1 Journal article
	Year	2018	Publication	ACS energy letters	Abbreviated Journal	Acs Energy Lett
	Volume		Issue		Pages	2884-2890
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Multiple electrochemical processes are involved at the catalyst/ electrolyte interface during the oxygen evolution reaction (OER). With the purpose of elucidating the complexity of surface dynamics upon OER, we systematically studied two Ni-based crystalline oxides (LaNiO3−δ and La2Li0.5Ni0.5O4) and compared them with the state-of-the-art Ni−Fe (oxy)- hydroxide amorphous catalyst. Electrochemical measurements such as rotating ring disk electrode (RRDE) and electrochemical quartz microbalance microscopy (EQCM) coupled with a series of physical characterizations including transmission electron microscopy (TEM) and X-ray absorption spectroscopy (XAS) were conducted to unravel the exact pH effect on both the OER activity and the catalyst stability. We demonstrate that for Ni-based crystalline catalysts the rate for surface degradation depends on the pH and is greater than the rate for surface reconstruction. This behavior is unlike that for the amorphous Ni oxyhydroxide catalyst, which is found to be more stable and pH-independent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000453805100005	Publication Date	2018-11-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2380-8195	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	Not_Open_Access: Available from 06.11.2019
	Notes	C.Y., J.-M.T., and A.G. acknowledge funding from the European Research Council (ERC) (FP/2014)/ERC GrantProject 670116-ARPEMA. A.G. acknowledges financial support from the ANR MIDWAY (Project ID ANR-17-CE05- 0008). We acknowledge Diamond Light Source for time awarded to the Energy Materials BAG on Beamline B18, under Proposal sp12559.			Approved	Most recent IF: NA
	Call Number	EMAT @ emat @c:irua:155046			Serial	5067
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	Author	Frolov, A.S.; Sanchez-Barriga, J.; Callaert, C.; Hadermann, J.; Fedorov, A., V; Usachov, D.Y.; Chaika, A.N.; Walls, B.C.; Zhussupbekov, K.; Shvets, I., V.; Muntwiler, M.; Amati, M.; Gregoratti, L.; Varykhalov, A.Y.; Rader, O.; Yashina, L., V.
	Title	Atomic and electronic structure of a multidomain GeTe crystal			Type	A1 Journal article
	Year	2020	Publication	Acs Nano	Abbreviated Journal	Acs Nano
	Volume	14	Issue	12	Pages	16576-16589
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Renewed interest in the ferroelectric semi-conductor germanium telluride was recently triggered by the direct observation of a giant Rashba effect and a 30-year-old dream about a functional spin field-effect transistor. In this respect, all-electrical control of the spin texture in this material in combination with ferroelectric properties at the nanoscale would create advanced functionalities in spintronics and data information processing. Here, we investigate the atomic and electronic properties of GeTe bulk single crystals and their (111) surfaces. We succeeded in growing crystals possessing solely inversion domains of similar to 10 nm thickness parallel to each other. Using HAADF-TEM we observe two types of domain boundaries, one of them being similar in structure to the van der Waals gap in layered materials. This structure is responsible for the formation of surface domains with preferential Te-termination (similar to 68%) as we determined using photoelectron diffraction and XPS. The lateral dimensions of the surface domains are in the range of similar to 10-100 nm, and both Ge- and Te-terminations reveal no reconstruction. Using spin-ARPES we establish an intrinsic quantitative relationship between the spin polarization of pure bulk states and the relative contribution of different terminations, a result that is consistent with a reversal of the spin texture of the bulk Rashba bands for opposite configurations of the ferroelectric polarization within individual nanodomains. Our findings are important for potential applications of ferroelectric Rashba semiconductors in nonvolatile spintronic devices with advanced memory and computing capabilities at the nanoscale.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000603308800022	Publication Date	2020-11-02
	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		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 17.1; 2020 IF: 13.942
	Call Number	UA @ admin @ c:irua:175027			Serial	6716
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	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
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	Author	Retuerto, M.; Yin, Z.; Emge, T.J.; Stephens, P.W.; Li, M.R.; Sarkar, T.; Croft, M.C.; Ignatov, A.; Yuan, Z.; Zhang, S.J.; Jin, C.; Paria Sena, R.; Hadermann, J.; Kotliar, G.; Greenblatt, M.;
	Title	Hole doping and structural transformation in CsTl_1-xHg_xCl₃			Type	A1 Journal article
	Year	2015	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	54	Issue	54	Pages	1066-1075
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	CsTlCl3 and CsTlF3 perovskites have been theoretically predicted to be superconductors when properly hole-doped. Both compounds have been previously prepared as pure compounds: CsTlCl3 in a tetragonal (I4/m) and a cubic (Fm3̅m) perovskite polymorph and CsTlF3 as a cubic perovskite (Fm3̅m). In this work, substitution of Tl in CsTlCl3 with Hg is reported, in an attempt to hole-dope the system and induce superconductivity. The whole series CsTl1xHgxCl3 (x = 0.0, 0.1, 0.2, 0.4, 0.6, and 0.8) was prepared. CsTl0.9Hg0.1Cl3 is tetragonal as the more stable phase of CsTlCl3. However, CsTl0.8Hg0.2Cl3 is already cubic with the space group Fm3̅m and with two different positions for Tl+ and Tl3+. For x = 0.4 and 0.5, solid solutions could not be formed. For x ≥ 0.6, the samples are primitive cubic perovskites with one crystallographic position for Tl+, Tl3+, and Hg2+. All of the samples formed are insulating, and there is no signature of superconductivity. X-ray absorption spectroscopy indicates that all of the samples have a mixed-valence state of Tl+ and Tl3+. Raman spectroscopy shows the presence of the active TlClTl stretching mode over the whole series and the intensity of the TlClHg mode increases with increasing Hg content. First-principle calculations confirmed that the phases are insulators in their ground state and that Hg is not a good dopant in the search for superconductivity in this system.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000348887400048	Publication Date	2014-12-09
	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	5	Open Access
	Notes				Approved	Most recent IF: 4.857; 2015 IF: 4.762
	Call Number	c:irua:124420			Serial	1476
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	Author	Lopez-Garcia, C.; Canossa, S.; Hadermann, J.; Gorni, G.; Oropeza, F.E.; de la Pena O'Shea, V.A.; Iglesias, M.; Monge, M.A.; Gutierrez-Puebla, E.; Gandara, F.
	Title	Heterometallic molecular complexes act as messenger building units to encode desired metal-atom combinations to multivariate metal-organic frameworks			Type	A1 Journal article
	Year	2022	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	144	Issue	36	Pages	16262-16266
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A novel synthetic approach is described for the targeted preparation of multivariate metal-organic frameworks (MTV-MOFs) with specific combinations of metal elements. This methodology is based on the use of molecular complexes that already comprise desired metal-atom combinations, as building units for the MTV-MOF synthesis. These units are transformed into the MOF structural constituents through a ligand/linker exchange process that involves structural modifications while preserving their origina l l y encoded atomic combination. Thus, through the use of heterometalli c ring-shaped molecules combining gallium and nickel or cobalt, we have obtained MOFs with identical combinations of the metal elements, now incorporated in the rod-shaped secondary building unit, as confirmed with a combination of X-ray and electron diffraction, electron microscopy, and X-ray absorption spectroscopy techniques.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000841435900001	Publication Date	2022-08-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	15	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 15
	Call Number	UA @ admin @ c:irua:190023			Serial	7169
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