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	Author	Vishwakarma, M.; Varandani, D.; Hendrickx, M.; Hadermann, J.; Mehta, B.R.
	Title	Nanoscale photovoltage mapping in CZTSe/CuxSe heterostructure by using kelvin probe force microscopy			Type	A1 Journal article
	Year	2020	Publication	Materials Research Express	Abbreviated Journal
	Volume	7	Issue	1	Pages	016418
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In the present work, kelvin probe force microscopy (KPFM) technique has been used to study the CZTSe/CuxSe bilayer interface prepared by multi-step deposition and selenization process of metal precursors. Transmission electron microscopy (TEM) confirmed the bilayer configuration of the CZTSe/CuxSe sample. Two configuration modes (surface mode and junction mode) in KPFM have been employed in order to measure the junction voltage under illumination conditions. The results show that CZTSe/CuxSe has small junction voltage of similar to 21 mV and the presence of CuxSe secondary phase in the CZTSe grain boundaries changes the workfunction of the local grain boundaries region. The negligible photovoltage difference between grain and grain boundaries in photovoltage image indicates that CuxSe phase deteriorates the higher photovoltage at grain boundaries normally observed in CZTSe based device. These results can be important for understanding the role of secondary phases in CZTSe based junction devices.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000520120900001	Publication Date	2019-12-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN		ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor		Times cited		Open Access	OpenAccess
	Notes	; Authors acknowledges support provided DST in the forms of InSOL and Indo-Swiss projects. We also acknowledge Joke Hadermann EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Belgium for helping in TEM measurements. M V Manoj Vishwakarma acknowledges IIT Delhi for MHRD fellowship. Prof B R Mehta acknowledges the support of the Schlumberger chair professorship. M V also acknowledges the support of DST-FIST Raman facility. ;			Approved	Most recent IF: NA
	Call Number	UA @ admin @ c:irua:167843			Serial	6567
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	Author	Vishwakarma, M.; Agrawal, K.; Hadermann, J.; Mehta, B.R.
	Title	Investigating the effect of sulphurization on volatility of compositions in Cu-poor and Sn-rich CZTS thin films			Type	A1 Journal article
	Year	2020	Publication	Applied Surface Science	Abbreviated Journal	Appl Surf Sci
	Volume	507	Issue		Pages	145043
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In the present work, the Cu-poor and Sn-rich CZTS thin films were prepared in order to study the volatility of Sn with respect to other components. Thin film compositions were kept intentionally Sn-rich to understand the behaviour of loss and segregation of Sn during sulphurization. The homogeneous composition distribution in precursor thin films turns heterogeneous with a change in morphology after sulphurization. The inability of identifying nanoscale secondary phases in CZTS thin film by conventional analytical techniques such as XRD and Raman, can be fulfilled by employing HAADF-STEM analysis. XPS and HAADF-STEM analyses provide the quantification of nanoscale secondary phases across the thin film and surface, respectively. The volatility of Sn was revealed in the form of segregation in the middle layer of CZTS cross-sectional lamella rather than loss to annealing atmosphere. It was observed that among the cations of CZTS, Sn segregates more than Cu, while Zn segregates least. The nanoscale spurious phases were observed to vary across different regions in the sulphurized CZTS sample. The reactive annealing lead to grain growth and formation of grain boundary features in the CZTS thin films, where annealing significantly modifies the potential difference and band bending at grain boundaries with respect to intra-grains.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000520021200053	Publication Date	2019-12-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0169-4332	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.7	Times cited	4	Open Access	OpenAccess
	Notes	; Authors acknowledges support provided by DST, India in the forms of InSOL project. We also acknowledge Dr. Indrani Mishra for XPS measurements and DST-FIST Raman facility for Raman measurements. Manoj Vishwakarma acknowledges IIT Delhi, New Delhi, India for MHRD fellowship. Prof. B.R. Mehta acknowledges the support of the Schlumberger chair professorship. ;			Approved	Most recent IF: 6.7; 2020 IF: 3.387
	Call Number	UA @ admin @ c:irua:168603			Serial	6552
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	Author	Meert, K.W.; Morozov, V.A.; Abakumov, A.M.; Hadermann, J.; Poelman, D.; Smet, P.F.
	Title	Energy transfer in Eu³⁺ doped scheelites : use as thermographic phosphor			Type	A1 Journal article
	Year	2014	Publication	Optics express	Abbreviated Journal	Opt Express
	Volume	22	Issue	9	Pages	A961-A972
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this paper the luminescence of the scheelite-based CaGd2(1-x)Eu2x(WO4)4 solid solutions is investigated as a function of the Eu content and temperature. All phosphors show intense red luminescence due to the 5D0 7F2 transition in Eu3+, along with other transitions from the 5D1 and 5D0 excited states. For high Eu3+ concentrations the intensity ratio of the emission originating from the 5D1 and 5D0 levels has a non-conventional temperature dependence, which could be explained by a phonon-assisted cross-relaxation process. It is demonstrated that this intensity ratio can be used as a measure of temperature with high spatial resolution, allowing the use of these scheelites as thermographic phosphor. The main disadvantage of many thermographic phosphors, a decreasing signal for increasing temperature, is absent.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000335905300037	Publication Date	2014-04-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1094-4087;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.307	Times cited	47	Open Access
	Notes				Approved	Most recent IF: 3.307; 2014 IF: 3.488
	Call Number	UA @ lucian @ c:irua:117067			Serial	1044
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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	Vishwakarma, M.; Kumar, M.; Hendrickx, M.; Hadermann, J.; Singh, A.P.; Batra, Y.; Mehta, B.R.
	Title	Enhancing the hydrogen evolution properties of kesterite absorber by Si-doping in the surface of CZTS thin film			Type	A1 Journal article
	Year	2021	Publication	Advanced Materials Interfaces	Abbreviated Journal	Adv Mater Interfaces
	Volume		Issue		Pages	2002124
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	In this work, the effects of Si-doping in Cu2ZnSnS4 are examined computationally and experimentally. The density functional theory calculations show that an increasing concentration of Si (from x = 0 to x = 1) yields a band gap rise due to shifting of the conduction band minimum towards higher energy states in the Cu2Zn(Sn1-xSix)S-4. CZTSiS thin film prepared by co-sputtering process shows Cu2Zn(Sn1-xSix)S-4 (Si-rich) and Cu2ZnSnS4 (S-rich) kesterite phases on the surface and in the bulk of the sample, respectively. A significant change in surface electronic properties is observed in CZTSiS thin film. Si-doping in CZTS inverts the band bending at grain-boundaries from downward to upward and the Fermi level of CZTSiS shifts upward. Further, the coating of the CdS and ZnO layer improves the photocurrent to approximate to 5.57 mA cm(-2) at -0.41 V-RHE in the CZTSiS/CdS/ZnO sample, which is 2.39 times higher than that of pure CZTS. The flat band potential increases from CZTS approximate to 0.43 V-RHE to CZTSiS/CdS/ZnO approximate to 1.31 V-RHE indicating the faster carrier separation process at the electrode-electrolyte interface in the latter sample. CdS/ZnO layers over CZTSiS significantly reduce the charge transfer resistance at the semiconductor-electrolyte interface.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000635804900001	Publication Date	2021-04-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2196-7350	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	4.279	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 4.279
	Call Number	UA @ admin @ c:irua:177688			Serial	6780
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	Author	Ranjbar, S.; Hadipour, A.; Vermang, B.; Batuk, M.; Hadermann, J.; Garud, S.; Sahayaraj, S.; Meuris, M.; Brammertz, G.; da Cunha, A.F.; Poortmans, J.
	Title	P-N Junction Passivation in Kesterite Solar Cells by Use of Solution-Processed TiO2 Layer			Type	A1 Journal article
	Year	2017	Publication	IEEE journal of photovoltaics	Abbreviated Journal	Ieee J Photovolt
	Volume	7	Issue	7	Pages	1130-1135
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	In this work, we used a solution-processed TiO2 layer between Cu2ZnSnSe4 and CdS buffer layer to reduce the recombination at the p–n junction. Introducing the TiO2 layer showed a positive impact on VOC but fill factor and efficiency decreased. Using a KCN treatment, we could create openings in the TiO2 layer, as confirmed by transmission electron microscopy measurements. Formation of these openings in the TiO2 layer led to the improvement of the short-circuit current, fill factor, and the efficiency of the modified solar cells.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000404258900026	Publication Date	2017-04-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2156-3381	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.712	Times cited	2	Open Access	OpenAccess
	Notes	This work was supported in part by the European Union’s Horizon 2020 research and innovation program under Grant 640868, in part by the Flemish government, Department Economy, Science and Innovation, in part by the FEDER funds through the COMPETE 2020 Programme, and in part by the National Funds through FCT – Portuguese Foundation for Science and Technology under the project UID/CTM/50025/2013. The work of S. Ranjbar was supported by the Portuguese Science and Technology Foundation through Ph.D. grant SFRH/BD/78409/2011. The work of B. Vermang was supported by the Flemish Research Foundation FWO (mandate 12O4215N).			Approved	Most recent IF: 3.712
	Call Number	EMAT @ emat @ c:irua:143986			Serial	4583
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	Author	O'Sullivan, M.; Hadermann, J.; Dyer, M.S.; Turner, S.; Alaria, J.; Manning, T.D.; Abakumov, A.M.; Claridge, J.B.; Rosseinsky, M.J.
	Title	Interface control by chemical and dimensional matching in an oxide heterostructure			Type	A1 Journal article
	Year	2016	Publication	Nature chemistry	Abbreviated Journal	Nat Chem
	Volume	8	Issue	8	Pages	347-353
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Interfaces between different materials underpin both new scientific phenomena, such as the emergent behaviour at oxide interfaces, and key technologies, such as that of the transistor. Control of the interfaces between materials with the same crystal structures but different chemical compositions is possible in many materials classes, but less progress has been made for oxide materials with different crystal structures. We show that dynamical self-organization during growth can create a coherent interface between the perovskite and fluorite oxide structures, which are based on different structural motifs, if an appropriate choice of cations is made to enable this restructuring. The integration of calculation with experimental observation reveals that the interface differs from both the bulk components and identifies the chemical bonding requirements to connect distinct oxide structures.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000372505500013	Publication Date	2016-02-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1755-4330; 1755-4349	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	25.87	Times cited	28	Open Access
	Notes				Approved	Most recent IF: 25.87
	Call Number	UA @ lucian @ c:irua:133189			Serial	4199
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	Author	Mallick, S.; Zhang, W.; Batuk, M.; Gibbs, A.S.; Hadermann, J.; Halasyamani, P.S.; Hayward, M.A.
	Title	The crystal and defect structures of polar KBiNb₂O₇			Type	A1 Journal article
	Year	2022	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal	Dalton T
	Volume	51	Issue	5	Pages	1866-1873
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	KBiNb2O7 was prepared from RbBiNb2O7 by a sequence of cation exchange reactions which first convert RbBiNb2O7 to LiBiNb2O7, before KBiNb2O7 is formed by a further K-for-Li cation exchange. A combination of neutron, synchrotron X-ray and electron diffraction data reveal that KBiNb2O7 adopts a polar, layered, perovskite structure (space group A11m) in which the BiNb2O7 layers are stacked in a (0, ½, z) arrangement, with the K+ cations located in half of the available 10-coordinate interlayer cation sites. The inversion symmetry of the phase is broken by a large displacement of the Bi3+ cations parallel to the y-axis. HAADF-STEM images reveal that KBiNb2O7 exhibits frequent stacking faults which convert the (0. ½, z) layer stacking to (½, 0, z) stacking and vice versa, essentially switching the x- and y-axes of the material. By fitting the complex diffraction peak shape of the SXRD data collected from KBiNb2O7 it is estimated that each layer has approximately an ~11% chance of being defective – a high level which is attributed to the lack of cooperative NbO6 tilting in the material, which limits the lattice strain associated with each fault.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000741540300001	Publication Date	2022-01-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1477-9226	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	4	Times cited		Open Access	OpenAccess
	Notes	Experiments at the Diamond Light Source were performed as part of the Block Allocation Group award “Oxford/Warwick Solid State Chemistry BAG to probe composition-structure-property relationships in solids” (EE18786). Experiments at the ISIS pulsed neutron facility were supported by a beam time allocation from the STFC (RB 2000148). SM thanks Somerville College for an Oxford Ryniker Lloyd scholarship. PSH and WZ thank the National Science Foundation (DMR-2002319) for support.			Approved	Most recent IF: 4
	Call Number	EMAT @ emat @c:irua:185504			Serial	6951
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	Author	Istomin, S.Y.; Morozov, A.V.; Abdullayev, M.M.; Batuk, M.; Hadermann, J.; Kazakov, S.M.; Sobolev, A.V.; Presniakov, I.A.; Antipov, E.V.
	Title	High-temperature properties of (La,Ca)(Fe,Mg,Mo)O_3-\delta perovskites as prospective electrode materials for symmetrical SOFC			Type	A1 Journal article
	Year	2018	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	258	Issue	258	Pages	1-10
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	La1-yCayFe0.5+x(Mg,Mo)(0.5-x)O3-delta oxides with the orthorhombic GdFeO3-type perovskite structure have been synthesized at 1573 K. Transmission electron microscopy study for selected samples shows the coexistence of domains of perovskite phases with ordered and disordered B-cations. Mossbauer spectroscopy studies performed at 300 K and 573 K show that while compositions with low Ca-content (La0.55Ca0.45Fe0.5Mg0.2625Mo0.2375O3-delta and La0.5Ca0.5Fe0.6Mg0.175Mo0.225O3-delta) are nearly oxygen stoichiometric, La0.2Ca0.8Fe0.5Mg0.2625Mo0.2375O3-delta is oxygen deficient with delta approximate to 0.15. Oxides are stable in reducing atmosphere (Ar/H-2, 8%) at 1173 K for 12 h. No additional phases have been observed at XRPD patterns of all studied perovskites and Ce1-xGdxO2-x/2 electrolyte mixtures treated at 1173-1373K, while Fe-rich compositions (x >= 0.1) react with Zr1-xYxO2-x/2 electrolyte above 1273 K. Dilatometry studies reveal that all samples show rather low thermal expansion coefficients (TECs) in air of 11.4-12.7 ppm K-1. In reducing atmosphere their TECs were found to increase up to 12.1-15.4 ppm K-1 due to chemical expansion effect. High-temperature electrical conductivity measurements in air and Ar/H-2 atmosphere show that the highest conductivity is observed for Fe- and Ca-rich compositions. Moderate values of electrical conductivity and TEC together with stability towards chemical interaction with typical SOFC electrolytes make novel Fe-containing perovskites promising electrode materials for symmetrical solid oxide fuel cell.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000423650400001	Publication Date	2017-10-11
	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	Not_Open_Access
	Notes	; This work was financially supported by Russian Science Foundation (project number 16-13-10327). ;			Approved	Most recent IF: 2.299
	Call Number	UA @ lucian @ c:irua:149283			Serial	4936
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	Author	Hadermann, J.; Abakumov, A.M.; Tsirlin, A.A.; Rozova, M.G.; Sarakinou, E.; Antipov, E.V.
	Title	Expanding the Ruddlesden-Popper manganite family : the n=3 La_3.2Ba_0.8Mn₃O₁₀ Member			Type	A1 Journal article
	Year	2012	Publication	Inorganic chemistry	Abbreviated Journal	Inorg Chem
	Volume	51	Issue	21	Pages	11487-11492
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	La3.2Ba0.8Mn3O10, a representative of the rare n = 3 members of the Ruddlesden-Popper manganites A(n+1)Mn(n)O(3n+1), was synthesized in an evacuated sealed silica tube. Its crystal structure was refined from a combination of powder X-ray diffraction (PXD) and precession electron diffraction (PED) data, with the rotations of the MnO6 octahedra described within the symmetry-adapted mode approach (space group Cccm, a = 29.068(1) angstrom, b = 5.5504(5) angstrom, c = 5.5412(5) angstrom; PXD RF = 0.053, RP = 0.026; PED RF = 0.248). The perovskite block in La3.2Ba0.8Mn3O10 features an octahedral tilting distortion with out-of-phase rotations of the Mn06 octahedra according to the (Phi,Phi,0)(Phi,Phi,0) mode, observed for the first time in the n = 3 Ruddlesden-Popper structures. The Mn06 octahedra demonstrate a noticeable deformation with the elongation of two apical Mn-O bonds due to the Jahn-Teller effect in the Mn3+ cations. The relationships between the octahedral tilting distortion, the ionic radii of the cations at the A- and B-positions, and the mismatch between the perovslcite and rock-salt blocks of the Ruddlesden-Popper structure are discussed. At low temperatures, La3.2Ba0.8Mn3O10 reveals a sizable remnant magnetization of about 1.3 mu(B)/Mn at 2K, and shows signatures of spin freezing below 150 K.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Easton, Pa	Editor
	Language		Wos	000313220200036	Publication Date	2012-10-17
	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	2	Open Access
	Notes				Approved	Most recent IF: 4.857; 2012 IF: 4.593
	Call Number	UA @ lucian @ c:irua:110121			Serial	1133
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	Author	Chin, C.-M.; Battle, P.D.; Hunter, E.C.; Avdeev, M.; Hendrickx, M.; Hadermann, J.
	Title	Stabilisation of magnetic ordering in La₃Ni_2-xCu_xB'O₉(B'=Sb,Ta,Nb) by the introduction of Cu²⁺			Type	A1 Journal article
	Year	2019	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	276	Issue	276	Pages	164-172
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	La3Ni2-xCuxB'O-9 (x = 0.25; B' = Sb, Ta, Nb: x = 0.5; B' = Nb) have been synthesized and characterised by transmission electron microscopy, neutron diffraction and magnetometry. Each adopts a perovskite-like structure (space group P2(1)/n) with two crystallographically-distinct six-coordinate sites, one occupied by a disordered arrangement of Ni2+ and Cu2+ and the other by a disordered similar to 1:2 distribution of Ni2+ and B'(5+), although some Cu2+ is found on the latter site when x = 0.5. Each composition undergoes a magnetic transition in the range 90 <= T/K <= 130 and shows a spontaneous magnetisation at 5 K; the transition temperature always exceeds that of the x = 0 composition by >= 30 K. A long-range ordered G-type ferrimagnetic structure is present in each composition, but small relaxor domains are also present. This contrasts with the pure relaxor and spin-glass behaviour of x = 0, B' = Ta, Nb, respectively.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000473372400023	Publication Date	2019-05-09
	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	2	Open Access
	Notes	; We thank EPSRC for funding through grant EP/M0189541. CMC thanks the Croucher Foundation and the University of Oxford for the award of a graduate scholarship. ;			Approved	Most recent IF: 2.299
	Call Number	UA @ admin @ c:irua:161199			Serial	5396
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	Author	Battle, P.D.; Avdeev, M.; Hadermann, J.
	Title	The interplay of microstructure and magnetism in La3Ni2SbO9			Type	A1 Journal article
	Year	2014	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	220	Issue		Pages	163-166
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	La3Ni2SbO9 adopts a perovskite-related structure in which the six-coordinate cation sites are occupied alternately by Ni2+ and a disordered arrangement of Ni2+/Sb5+. A polycrystalline sample has been studied by neutron diffraction in applied magnetic fields of 0 <= H/kOe <= 50 at 5 K. In 0 kOe, weak magnetic Bragg scattering consistent with the adoption of a G-type ferrimagnetic structure is observed; the ordered component of the magnetic moment was found to be 0.89(7) mu(B) per Ni2+ cation. This increased to 1.60(3) mu(B) in a field of 50 kOe. Transmission electron microscopy revealed variations in the Ni:Sb ratio across crystallites of the sample. It is proposed that these composition variations disrupt the magnetic superexchange interactions within the compound, leading to domain formation and a reduced average moment. The application of a magnetic field aligns the magnetisation vectors across the crystal and the average moment measured by neutron diffraction increases accordingly. The role played by variations in the local chemical composition in determining the magnetic properties invites comparison with the behaviour of relaxor ferroelectrics. (C) 2014 Elsevier Inc. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000343346100024	Publication Date	2014-09-01
	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	13	Open Access
	Notes				Approved	Most recent IF: 2.299; 2014 IF: 2.133
	Call Number	UA @ lucian @ c:irua:121134			Serial	3588
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	Author	Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Van Tendeloo, G.; Greenblatt, M.
	Title	Synthesis and structure determination of ferromagnetic semiconductors LaAMnSnO₆(A = Sr, Ba)			Type	A1 Journal article
	Year	2011	Publication	Journal of materials chemistry	Abbreviated Journal	J Mater Chem
	Volume	21	Issue	1	Pages	199-205
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	LaAMnSnO(6) (A = Sr, Ba) have been synthesized by high temperature solid-state reactions under dynamic 1% H(2)/Ar flow. Rietveld refinements on room temperature powder X-ray diffraction data indicate that LaSrMnSnO(6) crystallizes in the GdFeO(3)-structure, with space group Pnma and, combined with transmission electron microscopy, LaBaMnSnO(6) in Imma. Both space groups are common in disordered double-perovskites. The Mn(3+) and Sn(4+) ions whose valence states were confirmed by X-ray absorption spectroscopy, are completely disordered over the B-sites and the BO(6) octahedra are slightly distorted. LaAMnSnO(6) are ferromagnetic semiconductors with a T(C) = 83 K for the Sr- and 66 K for the Ba-compound. The title compounds, together with the previously reported LaCaMnSnO(6) provide an interesting example of progression from Pnma to Imma as the tolerance factor increases. An analysis of the relationship between space group and tolerance factor for the series LaAMnMO(6) (A = Ca, Sr, Ba; M = Sn, Ru) provides a better understanding of the symmetry determination for double perovskites.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Cambridge	Editor
	Language		Wos	000285067300025	Publication Date	2010-10-26
	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	3	Open Access
	Notes				Approved	Most recent IF: NA
	Call Number	UA @ lucian @ c:irua:95527			Serial	3440
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	Author	Yang, T.; Perkisas, T.; Hadermann, J.; Croft, M.; Ignatov, A.; Greenblatt, M.
	Title	B-site ordered perovskite LaSrMnNbO₆ : synthesis, structure and antiferromagnetism			Type	A1 Journal article
	Year	2010	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	183	Issue	11	Pages	2689-2694
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	LaSrMnNbO6 has been synthesized by high temperature solid state reaction under 1% H2/Ar dynamic flow. The structure is determined by Rietveld refinement of the powder X-ray diffraction data. It crystallizes in the monoclinic space group P21/n with the unit cell parameters: a=5.69187(12), b=5.74732(10), c=8.07018(15) Å and β=90.0504(29)°, which were also confirmed by electron diffraction. The Mn2+ and Nb5+ ions, whose valence states are confirmed by X-ray absorption near-edge spectroscopy, are almost completely ordered over the B-site (<1% inversion) of the perovskite structure due to the large differences of both cationic size (0.19 Å) and charge. The octahedral framework displays significant tilting distortion according to Glazers tilt system a−b−c+. Upon heating, LaSrMnNbO6 decomposes at 690 °C under O2 flow or at 775 °C in air. The magnetic susceptibility data indicate the presence of long-range antiferromagnetic ordering at TN=8 K; the experimentally observed effective paramagnetic moment, μeff=5.76 μB for high spin Mn2+ (3d5, S=5/2) is in good agreement with the calculated value (μcalcd=5.92 μB).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000284179800028	Publication Date	2010-09-13
	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	13	Open Access
	Notes	Esteem 026019			Approved	Most recent IF: 2.299; 2010 IF: 2.261
	Call Number	UA @ lucian @ c:irua:85805			Serial	212
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	Author	Zhang, F.; Vanmeensel, K.; Batuk, M.; Hadermann, J.; Inokoshi, M.; Van Meerbeek, B.; Naert, I.; Vleugels, J.
	Title	Highly-translucent, strong and aging-resistant 3Y-TZP ceramics for dental restoration by grain boundary segregation			Type	A1 Journal article
	Year	2015	Publication	Acta biomaterialia	Abbreviated Journal	Acta Biomater
	Volume	16	Issue	16	Pages	215-222
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Latest trends in dental restorative ceramics involve the development of full-contour 3Y-TZP ceramics which can avoid chipping of veneering porcelains. Among the challenges are the low translucency and the hydrothermal stability of 3Y-TZP ceramics. In this work, different trivalent oxides (Al2O3, Sc2O3, Nd2O3 and La2O3) were selected to dope 3Y-TZP ceramics. Results show that dopant segregation was a key factor to design hydrothermally stable and high-translucent 3Y-TZP ceramics and the cation dopant radius could be used as a controlling parameter. A large trivalent dopant, oversized as compared to Zr4+, exhibiting strong segregation at the ZrO2 grain boundary was preferred. The introduction of 0.2 mol% La2O3 in conventional 0.10.25 wt.% Al2O3-doped 3Y-TZP resulted in an excellent combination of high translucency and superior hydrothermal stability, while retaining excellent mechanical properties.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	S.l.	Editor
	Language		Wos	000351978600021	Publication Date	2015-02-04
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1742-7061;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	6.319	Times cited	54	Open Access
	Notes	Fwo G043110n			Approved	Most recent IF: 6.319; 2015 IF: 6.025
	Call Number	c:irua:124421			Serial	1473
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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
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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	Paulus, A.; Hendrickx, M.; Bercx, M.; Karakulina, O.M.; Kirsanova, M.A.; Lamoen, D.; Hadermann, J.; Abakumov, A.M.; Van Bael, M.K.; Hardy, A.
	Title	An in-depth study of Sn substitution in Li-rich/Mn-rich NMC as a cathode material for Li-ion batteries			Type	A1 Journal article
	Year	2020	Publication	Journal of the Chemical Society : Dalton transactions	Abbreviated Journal
	Volume	49	Issue	30	Pages	10486-10497
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Layered Li-rich/Mn-rich NMC (LMR-NMC) is characterized by high initial specific capacities of more than 250 mA h g(-1), lower cost due to a lower Co content and higher thermal stability than LiCoO2. However, its commercialisation is currently still hampered by significant voltage fade, which is caused by irreversible transition metal ion migration to emptied Li positionsviatetrahedral interstices upon electrochemical cycling. This structural change is strongly correlated with anionic redox chemistry of the oxygen sublattice and has a detrimental effect on electrochemical performance. In a fully charged state, up to 4.8 Vvs.Li/Li+, Mn4+ is prone to migrate to the Li layer. The replacement of Mn4+ for an isovalent cation such as Sn4+ which does not tend to adopt tetrahedral coordination and shows a higher metal-oxygen bond strength is considered to be a viable strategy to stabilize the layered structure upon extended electrochemical cycling, hereby decreasing voltage fade. The influence of Sn4+ on the voltage fade in partially charged LMR-NMC is not yet reported in the literature, and therefore, we have investigated the structure and the corresponding electrochemical properties of LMR-NMC with different Sn concentrations. We determined the substitution limit of Sn4+ in Li1.2Ni0.13Co0.13Mn0.54-xSnxO2 by powder X-ray diffraction and transmission electron microscopy to be x approximate to 0.045. The limited solubility of Sn is subsequently confirmed by density functional theory calculations. Voltage fade for x= 0 andx= 0.027 has been comparatively assessed within the 3.00 V-4.55 V (vs.Li/Li+) potential window, from which it is concluded that replacing Mn4+ by Sn4+ cannot be considered as a viable strategy to inhibit voltage fade within this window, at least with the given restricted doping level.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000555330900018	Publication Date	2020-07-09
	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	4	Times cited		Open Access	OpenAccess
	Notes	; The authors acknowledge Research Foundation Flanders (FWO) project number G040116N for funding. The authors are grateful to Dr Ken Elen and Greet Cuyvers (imo-imomec, UHasselt and imec) for respectively preliminary PXRD measurements and performing ICP-AES on the monometal precursors. Dr Dmitry Rupasov (Skolkovo Institute of Science and Technology) is acknowledged for performing TGA measurements on the metal sulfate precursors. 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: 4; 2020 IF: 4.029
	Call Number	UA @ admin @ c:irua:171149			Serial	6450
Permanent link to this record



	Author	Fedotov, S.S.; Kuzovchikov, S.M.; Khasanova, N.R.; Drozhzhin, O.A.; Filimonov, D.S.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Antipov, E.V.
	Title	Synthesis, structure and electrochemical properties of LiNaCo0.5Fe0.5PO4F fluoride-phosphate			Type	A1 Journal article
	Year	2016	Publication	Journal of solid state chemistry	Abbreviated Journal	J Solid State Chem
	Volume	242	Issue	242	Pages	70-77
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	LiNaCo 0.5 Fe 0.5 PO 4 F fluoride-phosphate was synthesized via conventional solid-state and novel freeze-drying routes. The crystal structure was refined based on neutron powder diffraction (NPD) data and validated by electron diffraction (ED) and high-resolution transmission electron microscopy (HRTEM). The alkali ions are ordered in LiNaCo 0.5 Fe 0.5 PO 4 F and the transition metals jointly occupy the same crystallographic sites. The oxidation state and oxygen coordination environment of the Fe atoms were verified by 57 Fe Mössbauer spectroscopy. Electrochemical tests of the LiNaCo 0.5 Fe 0.5 PO 4 F cathode material demonstrated a reversible activity of the Fe 3+ /Fe 2+ redox couple at the electrode potential near 3.4 V and minor activity of the Co 3+ /Co 2+ redox couple over 5 V vs Li/Li + . The material exhibits a good capacity retention in the 2.4÷4.6 V vs Li/Li + potential range with the delivered discharge capacity of more than 82% (theo.) regarding Fe 3+ /Fe 2+ .
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000383304900010	Publication Date	2016-02-27
	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	1	Open Access
	Notes	The authors kindly thank Dr. O. A. Shlyakhtin for the assistance in the freeze-drying synthesis. We are grateful to the Laboratory for Neutron Scattering and Imaging (NLS) at the Paul Scherrer Institut (Villigen, Switzerland) for granting beam time at the HRPT diffractometer and to Dr. D. V. Sheptyakov for the technical support during the experiment. The work was partly supported by Russian Foundation for Basic Research (RFBR grant 13-03-00495a, 14-29-04064 ofim, 16-33-01131 mola), Skoltech Center for Electrochemical Energy Storage and Moscow State University Development Program up to 2020. J. Hadermann, O.M. Karakulina and A.M. Abakumov acknowledge support from FWO under grant G040116N.			Approved	Most recent IF: 2.299
	Call Number	c:irua:133776			Serial	4075
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	Author	Ulu Okudur, F.; Batuk, M.; Hadermann, J.; Safari, M.; De Sloovere, D.; Kumar Mylavarapu, S.; Joos, B.; D'Haen, J.; Van Bael, M.K.; Hardy, A.
	Title	Solution-gel-based surface modification of LiNi_0.5Mn_1.5O_4-δ with amorphous Li-Ti-O coating			Type	A1 Journal article
	Year	2023	Publication	RSC advances	Abbreviated Journal
	Volume	13	Issue	47	Pages	33146-33158
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	LNMO (LiNi0.5Mn1.5O4-delta) is a high-energy density positive electrode material for lithium ion batteries. Unfortunately, it suffers from capacity loss and impedance rise during cycling due to electrolyte oxidation and electrode/electrolyte interface instabilities at high operating voltages. Here, a solution-gel synthesis route was used to coat 0.5-2.5 mu m LNMO particles with amorphous Li-Ti-O (LTO) for improved Li conduction, surface structural stability and cyclability. High-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) analysis coupled with energy dispersive X-ray (EDX) showed Ti-rich amorphous coatings/islands or Ti-rich spinel layers on many of the LTO-modified LNMO facets, with a thickness varying from about 1 to 10 nm. The surface modification in the form of amorphous islands was mostly possible on high-energy crystal facets. Physicochemical observations were used to propose a molecular mechanism for the surface modification, combining insights from metalorganic chemistry with the crystallographic properties of LNMO. The improvements in functional properties were investigated in half cells. The cell impedance increased faster for the bare LNMO compared to amorphous LTO modified LNMO, resulting in R-ct values as high as 1247 Omega (after 1000 cycles) for bare LNMO, against 216 Omega for the modified material. At 10C, the modified material boosted a 15% increase in average discharge capacity. The improvements in electrochemical performance were attributed to the increase in electrochemically active surface area, as well as to improved HF-scavenging, resulting in the formation of protective byproducts, generating a more stable interface during prolonged cycling.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001102666700001	Publication Date	2023-11-09
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2046-2069	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor		Times cited		Open Access
	Notes				Approved	no
	Call Number	UA @ admin @ c:irua:202091			Serial	9096
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	Author	Zaghi, A.E.; Buffière, M.; Brammertz, G.; Batuk, M.; Lenaers, N.; Kniknie, B.; Hadermann, J.; Meuris, M.; Poortmans, J.; Vleugels, J.
	Title	Mechanical synthesis of high purity Cu-In-Se alloy nanopowder as precursor for printed CISe thin film solar cells			Type	A1 Journal article
	Year	2014	Publication	Advanced powder technology	Abbreviated Journal	Adv Powder Technol
	Volume	25	Issue	4	Pages	1254-1261
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Mechanical alloying and ball milling are low cost, up-scalable techniques for the preparation of high purity chalcogenide nanopowders to be used as precursor material for printing thin film solar cells. In this study, high purity copper indium selenium (Cu-In-Se) alloy nanopowders with 20-200 nm particle size were synthesized from macroscopic elemental Cu, In and Se powders via mechanical alloying and planetary ball milling. The particle size distribution, morphology, composition, and purity level of the synthesized Cu-In-Se alloy nanopowders were investigated. Thin Cu-In-Se alloy nanopowder ink coatings, deposited on Mo-coated glass substrates by doctor blading, were converted into a CuInSe2 semiconductor film by selenization heat treatment in Se vapor. The CuInSe2 film showed semiconducting band gap around 1 eV measured by photoluminescence spectroscopy. CuInSe2 absorber layer based thin film solar cell devices were fabricated to assess their performance. The solar cell device showed a total efficiency of 4.8%, as measured on 0.25 cm(2) area cell. (c) 2014 The Society of Powder Technology Japan. Published by Elsevier B.V. and The Society of Powder Technology Japan. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Zeist	Editor
	Language		Wos	000341871700015	Publication Date	2014-03-17
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0921-8831;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.659	Times cited	10	Open Access
	Notes				Approved	Most recent IF: 2.659; 2014 IF: 2.638
	Call Number	UA @ lucian @ c:irua:119896			Serial	1977
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	Author	Li, M.R.; Croft, M.; Stephens, P.W.; Ye, M.; Vanderbilt, D.; Retuerto, M.; Deng, Z.; Grams, C.P.; Hemberger, J.; Hadermann, J.; Li, W.M.; Jin, C.Q.; Saouma, F.O.; Jang, J.I.; Akamatsu, H.; Gopalan, V.; Walker, D.; Greenblatt, M.;
	Title	Mn₂FeWO₆ : a new Ni₃TeO₆-type polar and magnetic oxide			Type	A1 Journal article
	Year	2015	Publication	Advanced materials	Abbreviated Journal	Adv Mater
	Volume	27	Issue	27	Pages	2177-2181
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Mn22+Fe2+W6+O6, a new polar magnetic phase, adopts the corundum-derived Ni3TeO6-type structure with large spontaneous polarization (P-S) of 67.8 mu C cm-2, complex antiferromagnetic order below approximate to 75 K, and field-induced first-order transition to a ferrimagnetic phase below approximate to 30 K. First-principles calculations predict a ferrimagnetic (udu) ground state, optimal switching path along the c-axis, and transition to a lower energy udu-udd magnetic double cell.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Weinheim	Editor
	Language		Wos	000352548900004	Publication Date	2015-02-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0935-9648;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	19.791	Times cited	32	Open Access
	Notes				Approved	Most recent IF: 19.791; 2015 IF: 17.493
	Call Number	c:irua:126002			Serial	3545
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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	Vladimirova, S.A.; Rumyantseva, M.N.; Filatova, D.G.; Chizhov, A.S.; Khmelevsky, N.O.; Konstantinova, E.A.; Kozlovsky, V.F.; Marchevsky, A.V.; Karakulina, O.M.; Hadermann, J.; Gaskov, A.M.
	Title	Cobalt location in p-CoO_xIn-SnO₂ nanocomposites : correlation with gas sensor performances			Type	A1 Journal article
	Year	2017	Publication	Journal of alloys and compounds	Abbreviated Journal	J Alloy Compd
	Volume	721	Issue		Pages	249-260
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Nanocomposites CoOx/SnO2 based on tin oxide powders with different crystallinity have been prepared by wet chemical synthesis and characterized in detail by ICP-MS, XPS, EPR, XRD, HAADF-STEM imaging and EDX-STEM mapping. It was shown that cobalt is distributed differently between the bulk and surface of SnO2 nanocrystals, which depends on the crystallinity of the SnO2 matrix. The measurements of gas sensor properties have been carried out during exposure to CO (10 ppm), and H2S (2 ppm) in dry air. The decrease of sensor signal toward CO was attributed to high catalytic activity of Co3O4 leading to oxidation of carbon monoxide entirely on the surface of catalyst particles. The formation of a p-CoOx/n-SnO2 heterojunction results in high sensitivity of nanocomposites in H2S detection. The conductance significantly changed in the presence of H2S, which was attributed to the formation of metallic cobalt sulfide and removal of the p – n junction. (C) 2017 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Amsterdam	Editor
	Language		Wos		Publication Date
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8388	ISBN		Additional Links	UA library record; ; WoS full record; WoS citing articles
	Impact Factor	3.133	Times cited		Open Access	Not_Open_Access: Available from 10.10.2019
	Notes	; This work was supported by ERA-Net.Plus grant N 096 FON-SENS. EPR experiments were performed using the facilities of the Collective Use Center at the Moscow State University. ;			Approved	Most recent IF: 3.133
	Call Number	UA @ lucian @ c:irua:145142			Serial	4714
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	Author	Vladimirova, S.A.; Rumyantseva, M.N.; Filatova, D.G.; Chizhov, A.S.; Khmelevsky, N.O.; Konstantinova, E.A.; Kozlovsky, V.F.; Marchevsky, A.V.; Karakulina, O.M.; Hadermann, J.; Gaskov, A.M.
	Title	Cobalt location in p -CoO x / n -SnO 2 nanocomposites: Correlation with gas sensor performances			Type	A1 Journal Article
	Year	2017	Publication	Journal Of Alloys And Compounds	Abbreviated Journal	J Alloy Compd
	Volume	721	Issue		Pages	249-260
	Keywords	A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
	Abstract	Nanocomposites CoOx/SnO2 based on tin oxide powders with different crystallinity have been prepared by wet chemical synthesis and characterized in detail by ICP-MS, XPS, EPR, XRD, HAADF-STEM imaging and EDX-STEM mapping. It was shown that cobalt is distributed differently between the bulk and surface of SnO2 nanocrystals, which depends on the crystallinity of the SnO2 matrix. The measurements of gas sensor properties have been carried out during exposure to CO (10 ppm), and H2S (2 ppm) in dry air. The decrease of sensor signal toward CO was attributed to high catalytic activity of Co3O4 leading to oxidation of carbon monoxide entirely on the surface of catalyst particles. The formation of a p-CoOx/n-SnO2 heterojunction results in high sensitivity of nanocomposites in H2S detection. The conductance significantly changed in the presence of H2S, which was attributed to the formation of metallic cobalt sulfide and removal of the p – n junction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000405252400030	Publication Date	2017-06-02
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0925-8388	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	3.133	Times cited		Open Access	Not_Open_Access
	Notes	This work was supported by ERA-Net.Plus grant N 096 FONSENS. EPR experiments were performed using the facilities of the Collective Use Center at the Moscow State University.			Approved	Most recent IF: 3.133
	Call Number	EMAT @ emat @			Serial	4711
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	Author	Naberezhnyi, D.; Rumyantseva, M.; Filatova, D.; Batuk, M.; Hadermann, J.; Baranchikov, A.; Khmelevsky, N.; Aksenenko, A.; Konstantinova, E.; Gaskov, A.
	Title	Effects of Ag additive in low temperature CO detection with In₂O₃ based gas sensors			Type	A1 Journal article
	Year	2018	Publication	Nanomaterials	Abbreviated Journal
	Volume	8	Issue	10	Pages	801
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Nanocomposites In2O3/Ag obtained by ultraviolet (UV) photoreduction and impregnation methods were studied as materials for CO sensors operating in the temperature range 25-250 degrees C. Nanocrystalline In2O3 and In2O3/Ag nanocomposites were characterized by X-ray diffraction (XRD), single-point Brunauer-Emmet-Teller (BET) method, scanning electron microscopy (SEM), transmission electron microscopy (TEM), and high angle annular dark field scanning transmission electron microscopy (HAADF-STEM) with energy dispersive X-ray (EDX) mapping. The active surface sites were investigated using Fourier-transform infrared spectroscopy (FTIR), X-ray photoelectron spectroscopy (XPS), electron paramagnetic resonance (EPR) spectroscopy and thermo-programmed reduction with hydrogen (TPR-H-2) method. Sensor measurements in the presence of 15 ppm CO demonstrated that UV treatment leads to a complete loss of In2O3 sensor sensitivity, while In2O3/Ag-UV nanocomposite synthesized by UV photoreduction demonstrates an increased sensor signal to CO at T < 200 degrees C. The observed high sensor response of the In2O3/Ag-UV nanocomposite at room temperature may be due to the realization of an additional mechanism of CO oxidation with participation of surface hydroxyl groups associated via hydrogen bonds.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000451174100057	Publication Date	2018-10-08
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2079-4991	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:156335			Serial	7842
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	Author	Malkov, I., V; Krivetskii, V.V.; Potemkin, D., I; Zadesenets, A., V; Batuk, M.M.; Hadermann, J.; Marikutsa, A., V; Rumyantseva, M.N.; Gas'kov, A.M.
	Title	Effect of Bimetallic Pd/Pt Clusters on the Sensing Properties of Nanocrystalline SnO2 in the Detection of CO			Type	A1 Journal article
	Year	2018	Publication	Russian journal of inorganic chemistry	Abbreviated Journal	Russ J Inorg Chem+
	Volume	63	Issue	8	Pages	1007-1011
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanocrystalline tin dioxide modified by Pd and Pt clusters or by bimetallic PdPt nanoparticles was synthesized. Distribution of the modifers on the SnO2 surface was studied by high-resolution transmission electron microscopy and energy dispersive X-ray microanalysis with element distribution mapping. It was shown that the Pd/Pt ratio in bimetallic particles varies over a broad range and does not depend on the particle diameter. The effect of platinum metals on the reducibility of nanocrystalline SnO2 by hydrogen was determined. The sensing properties of the resulting materials towards 6.7 ppm CO in air were estimated in situ by electrical conductivity measurements. The sensor response of SnO2 modified with bimetallic PdPt particles was a superposition of the signals of samples with Pt and Pd clusters.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	London	Editor
	Language		Wos	000442749500003	Publication Date	2018-08-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0036-0236	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	0.787	Times cited	3	Open Access	Not_Open_Access
	Notes	; This work was supported by the ERA.Net RUS Plus program (project 096 FONSENS, RFBR grant 16-53-76001). ;			Approved	Most recent IF: 0.787
	Call Number	UA @ lucian @ c:irua:153752			Serial	5092
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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
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	Author	Kelchtermans, A.; Adriaensens, P.; Slocombe, D.; Kuznetsov, V.L.; Hadermann, J.; Riskin, A.; Elen, K.; Edwards, P.P.; Hardy, A.; Van Bael, M.K.
	Title	Increasing the solubility limit for tetrahedral aluminium in ZnO:Al nanorods by variation in synthesis parameters			Type	A1 Journal article
	Year	2015	Publication	Journal of nanomaterials	Abbreviated Journal	J Nanomater
	Volume	2015	Issue	2015	Pages	1-8
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Nanocrystalline ZnO:Al nanoparticles are suitable building blocks for transparent conductive layers. As the concentration of substitutional tetrahedral Al is an important factor for improving conductivity, here we aim to increase the fraction of substitutional Al. To this end, synthesis parameters of a solvothermal reaction yielding ZnO:Al nanorods were varied. A unique set of complementary techniques was combined to reveal the exact position of the aluminium ions in the ZnO lattice and demonstrated its importance in order to evaluate the potential of ZnO:Al nanocrystals as optimal building blocks for solution deposited transparent conductive oxide layers. Both an extension of the solvothermal reaction time and stirring during solvothermal treatment result in a higher total tetrahedral aluminium content in the ZnO lattice. However, only the longer solvothermal treatment effectively results in an increase of the substitutional positions aimed for.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	New York, N.Y.	Editor
	Language		Wos	000358516300001	Publication Date	2015-07-12
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1687-4110;1687-4129;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.871	Times cited	2	Open Access
	Notes	FWO; Methusalem			Approved	Most recent IF: 1.871; 2015 IF: 1.644
	Call Number	c:irua:124426			Serial	1600
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	Author	Rumyantseva, M.N.; Vladimirova, S.A.; Vorobyeva, N.A.; Giebelhaus, I.; Mathur, S.; Chizhov, A.S.; Khmelevsky, N.O.; Aksenenko, A.Y.; Kozlovsky, V.F.; Karakulina, O.M.; Hadermann, J.; Abakumov, A.M.; Gaskov, A.M.
	Title	p -CoO x / n -SnO 2 nanostructures: New highly selective materials for H 2 S detection			Type	A1 Journal article
	Year	2017	Publication	Sensors and actuators : B : chemical	Abbreviated Journal	Sensor Actuat B-Chem
	Volume		Issue		Pages
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Nanostructures p-CoOx/n-SnO2 based on tin oxide nanowires have been prepared by two step CVD technique and characterized in detail by XRD, XRF, XPS, HAADF-STEM imaging and EDX-STEM mapping. Depending on the temperature of decomposition of cobalt complex during the second step of CVD synthesis of nanostructures cobalt oxide forms a coating and/or isolated nanoparticles on SnO2 nanowire surface. It was found that cobalt presents in +2 and +3 oxidation states. The measurements of gas sensor properties have been carried out during exposure to CO (14 ppm), NH3 (21 ppm), and H2S (2 ppm) in dry air. The opposite trends were observed in the effect of cobalt oxide on the SnO2 gas sensitivity when detecting CO or NH3 in comparison to H2S. The decrease of sensor signal toward CO and NH3 was attributed to high catalytic activity of Co3O4 in oxidation of these gases. Contrary, the significant increase of sensor signal in the presence of H2S was attributed to the formation of metallic cobalt sulfide and removal of the barrier between p-CoOx and n-SnO2. This effect provides an excellent selectivity of p-CoOx/n-SnO2 nanostructures in H2S detection.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000414151800068	Publication Date	2017-08-17
	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	13	Open Access	Not_Open_Access: Available from 10.10.2019
	Notes	ERA-Net.Plus, 096 FONSENS ;			Approved	Most recent IF: 5.401
	Call Number	EMAT @ emat @c:irua:145926			Serial	4710
Permanent link to this record