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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	Saniz, R.; Sarmadian, N.; Partoens, B.; Batuk, M.; Hadermann, J.; Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Lamoen, D.
	Title	First-principles study of CO and OH adsorption on in-doped ZnO surfaces			Type	A1 Journal article
	Year	2019	Publication	The journal of physics and chemistry of solids	Abbreviated Journal	J Phys Chem Solids
	Volume	132	Issue		Pages	172-181
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
	Abstract	We present a first-principles computational study of CO and OH adsorption on non-polar ZnO (10¯10) surfaces doped with indium. The calculations were performed using a model ZnO slab. The position of the In dopants was varied from deep bulk-like layers to the surface layers. It was established that the preferential location of the In atoms is at the surface by examining the dependence of the defect formation energy as well as the surface energy on In location. The adsorption sites on the surface of ZnO and the energy of adsorption of CO molecules and OH-species were determined in connection to In doping. It was found that OH has higher bonding energy to the surface than CO. The presence of In atoms at the surface of ZnO is favorable for CO adsorption, resulting in an elongation of the C-O bond and in charge transfer to the surface. The effect of CO and OH adsorption on the electronic and conduction properties of surfaces was assessed. We conclude that In-doped ZnO surfaces should present a higher electronic response upon adsorption of CO.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000472124700023	Publication Date	2019-04-25
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0022-3697	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.059	Times cited	7	Open Access	Not_Open_Access: Available from 26.04.2021
	Notes	FWO-Vlaanderen, G0D6515N ; ERA.Net RUS Plus, 096 ; VSC; HPC infrastructure of the University of Antwerp; FWO-Vlaanderen; Flemish Government-department EWI;			Approved	Most recent IF: 2.059
	Call Number	EMAT @ emat @UA @ admin @ c:irua:159656			Serial	5170
Permanent link to this record



	Author	Batuk, D.; Batuk, M.; Abakumov, A.M.; Hadermann, J.
	Title	Synergy between transmission electron microscopy and powder diffraction : application to modulated structures			Type	A1 Journal article
	Year	2015	Publication	Acta crystallographica: section B: structural science	Abbreviated Journal	Acta Crystallogr B
	Volume	71	Issue	71	Pages	127-143
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The crystal structure solution of modulated compounds is often very challenging, even using the well established methodology of single-crystal X-ray crystallography. This task becomes even more difficult for materials that cannot be prepared in a single-crystal form, so that only polycrystalline powders are available. This paper illustrates that the combined application of transmission electron microscopy (TEM) and powder diffraction is a possible solution to the problem. Using examples of anion-deficient perovskites modulated by periodic crystallographic shear planes, it is demonstrated what kind of local structural information can be obtained using various TEM techniques and how this information can be implemented in the crystal structure refinement against the powder diffraction data. The following TEM methods are discussed: electron diffraction (selected area electron diffraction, precession electron diffraction), imaging (conventional high-resolution TEM imaging, high-angle annular dark-field and annular bright-field scanning transmission electron microscopy) and state-of-the-art spectroscopic techniques (atomic resolution mapping using energy-dispersive X-ray analysis and electron energy loss spectroscopy).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Copenhagen	Editor
	Language		Wos	000352166500002	Publication Date	2015-04-01
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2052-5206;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	2.032	Times cited	11	Open Access
	Notes	Fwo G039211n			Approved	Most recent IF: 2.032; 2015 IF: NA
	Call Number	c:irua:124411			Serial	3408
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	Author	Liang, Z.; Batuk, M.; Orlandi, F.; Manuel, P.; Hadermann, J.; Hayward, M.A.
	Title	Disproportionation of Co²⁺ in the topochemically reduced oxide LaSrCoRuO₅			Type	A1 Journal article
	Year	2024	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal
	Volume	63	Issue	6	Pages	e202313067-5
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Complex transition-metal oxides exhibit a wide variety of chemical and physical properties which are a strong function the local electronic states of the transition-metal centres, as determined by a combination of metal oxidation state and local coordination environment. Topochemical reduction of the double perovskite oxide, LaSrCoRuO6, using Zr, yields LaSrCoRuO5. This reduced phase contains an ordered array of apex-linked square-based pyramidal Ru3+O5, square-planar Co1+O4 and octahedral Co3+O6 units, consistent with the coordination-geometry driven disproportionation of Co2+. Coordination-geometry driven disproportionation of d(7) transition-metal cations (e.g. Rh2+, Pd3+, Pt3+) is common in complex oxides containing 4d and 5d metals. However, the weak ligand field experienced by a 3d transition-metal such as cobalt leads to the expectation that d(7+) Co2+ should be stable to disproportionation in oxide environments, so the presence of Co1+O4 and Co3+O6 units in LaSrCoRuO5 is surprising. Low-temperature measurements indicate LaSrCoRuO5 adopts a ferromagnetically ordered state below 120 K due to couplings between S=(1)/(2) Ru3+ and S=1 Co1+.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001136579700001	Publication Date	2023-12-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851; 0570-0833	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	16.6	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 16.6; 2024 IF: 11.994
	Call Number	UA @ admin @ c:irua:202801			Serial	9023
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	Author	Sasaki, S.; Giri, S.; Cassidy, S.J.; Dey, S.; Batuk, M.; Vandemeulebroucke, D.; Cibin, G.; Smith, R.I.; Holdship, P.; Grey, C.P.; Hadermann, J.; Clarke, S.J.
	Title	Anion redox as a means to derive layered manganese oxychalcogenides with exotic intergrowth structures			Type	A1 Journal article
	Year	2023	Publication	Nature communications	Abbreviated Journal
	Volume	14	Issue	1	Pages	2917-11
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	Topochemistry enables step-by-step conversions of solid-state materials often leading to metastable structures that retain initial structural motifs. Recent advances in this field revealed many examples where relatively bulky anionic constituents were actively involved in redox reactions during (de)intercalation processes. Such reactions are often accompanied by anion-anion bond formation, which heralds possibilities to design novel structure types disparate from known precursors, in a controlled manner. Here we present the multistep conversion of layered oxychalcogenides Sr(2)MnO(2)Cu(1.5)Ch(2) (Ch=S, Se) into Cu-deintercalated phases where antifluorite type [Cu(1.5)Ch(2)](2.5-) slabs collapsed into two-dimensional arrays of chalcogen dimers. The collapse of the chalcogenide layers on deintercalation led to various stacking types of Sr(2)MnO(2)Ch(2) slabs, which formed polychalcogenide structures unattainable by conventional high-temperature syntheses. Anion-redox topochemistry is demonstrated to be of interest not only for electrochemical applications but also as a means to design complex layered architectures. Low temperature chemical transformations of solids using high-energy intermediates have enabled the synthesis of a new series of layered oxide chalcogenide containing oxidised chalcogenide dimers promising a new range of solids.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	001024186000011	Publication Date	2023-05-22
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2041-1723	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	16.6	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 16.6; 2023 IF: 12.124
	Call Number	UA @ admin @ c:irua:199281			Serial	8832
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	Author	Zaikina, J.V.; Batuk, M.; Abakumov, A.M.; Navrotsky, A.; Kauziarich, S.M.
	Title	Facile synthesis of Ba_1-xK_xFe₂As₂ superconductors via hydride route			Type	A1 Journal article
	Year	2014	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	136	Issue	48	Pages	16932-16939
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	We have developed a fast, easy, and scalable synthesis method for Ba1xKxFe2As2 (0 ≤ x ≤ 1) superconductors using hydrides BaH2 and KH as a source of barium and potassium metals. Synthesis from hydrides provides better mixing and easier handling of the starting materials, consequently leading to faster reactions and/or lower synthesis temperatures. The reducing atmosphere provided by the evolved hydrogen facilitates preparation of oxygen-free powders. By a combination of methods we have shown that Ba1xKxFe2As2 obtained via hydride route has the same characteristics as when it is prepared by traditional solid-state synthesis. Refinement from synchrotron powder X-ray diffraction data confirms a linear dependence of unit cell parameters upon K content as well as the tetragonal to orthorhombic transition at low temperatures for compositions with x < 0.2. Magnetic measurements revealed dome-like dependence of superconducting transition temperature Tc upon K content with a maximum of 38 K for x close to 0.4. Electron diffraction and high-resolution high-angle annular dark-field scanning transmission electron microscopy indicates an absence of Ba/K ordering, while local inhomogeneity in the Ba/K distribution takes place at a scale of several angstroms along [110] crystallographic direction.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000345883900040	Publication Date	2014-11-11
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	13	Open Access
	Notes				Approved	Most recent IF: 13.858; 2014 IF: 12.113
	Call Number	UA @ lucian @ c:irua:121331			Serial	1169
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	Author	Palgrave, R.G.; Borisov, P.; Dyer, M.S.; McMitchell, S.R.C.; Darling, G.R.; Claridge, J.B.; Batuk, M.; Tan, H.; Tian, H.; Verbeeck, J.; Hadermann, J.; Rosseinsky, M.J.;
	Title	Artificial construction of the layered Ruddlesden-Popper manganite La₂Sr₂Mn₃O₁₀ by reflection high energy electron diffraction monitored pulsed laser deposition			Type	A1 Journal article
	Year	2012	Publication	Journal of the American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	134	Issue	18	Pages	7700-7714
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Pulsed laser deposition has been used to artificially construct the n = 3 Ruddlesden Popper structure La2Sr2Mn3O10 in epitaxial thin film form by sequentially layering La1-xSrxMnO3 and SrO unit cells aided by in situ reflection high energy electron diffraction monitoring. The interval deposition technique was used to promote two-dimensional SrO growth. X-ray diffraction and cross-sectional transmission electron microscopy indicated that the trilayer structure had been formed. A site ordering was found to differ from that expected thermodynamically, with the smaller Sr2+ predominantly on the R site due to kinetic trapping of the deposited cation sequence. A dependence of the out-of-plane lattice parameter on growth pressure was interpreted as changing the oxygen content of the films. Magnetic and transport measurements on fully oxygenated films indicated a frustrated magnetic ground state characterized as a spin glass-like magnetic phase with the glass temperature T-g approximate to 34 K. The magnetic frustration has a clear in-plane (ab) magnetic anisotropy, which is maintained up to temperatures of 150 K. Density functional theory calculations suggest competing antiferromagnetic and ferromagnetic long-range orders, which are proposed as the origin of the low-temperature glassy state.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Washington, D.C.	Editor
	Language		Wos	000303696200029	Publication Date	2012-03-30
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0002-7863;1520-5126;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	13.858	Times cited	27	Open Access
	Notes	Fwo; Esteem 026019			Approved	Most recent IF: 13.858; 2012 IF: 10.677
	Call Number	UA @ lucian @ c:irua:98947UA @ admin @ c:irua:98947			Serial	153
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	Author	Bhaskar, G.; Gvozdetskyi, V.; Batuk, M.; Wiaderek, K.M.; Sun, Y.; Wang, R.; Zhang, C.; Carnahan, S.L.; Wu, X.; Ribeiro, R.A.; Bud'ko, S.L.; Canfield, P.C.; Huang, W.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J., V
	Title	Topochemical deintercalation of Li from layered LiNiB : toward 2D MBene			Type	A1 Journal article
	Year	2021	Publication	Journal Of The American Chemical Society	Abbreviated Journal	J Am Chem Soc
	Volume	143	Issue	11	Pages	4213-4223
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The pursuit of two-dimensional (2D) borides, MBenes, has proven to be challenging, not the least because of the lack of a suitable precursor prone to the deintercalation. Here, we studied room-temperature topochemical deintercalation of lithium from the layered polymorphs of the LiNiB compound with a considerable amount of Li stored in between [NiB] layers (33 at. % Li). Deintercalation of Li leads to novel metastable borides (Li similar to 0.5NiB) with unique crystal structures. Partial removal of Li is accomplished by exposing the parent phases to air, water, or dilute HCl under ambient conditions. Scanning transmission electron microscopy and solid-state Li-7 and B-1(1) NMR spectroscopy, combined with X-ray pair distribution function (PDF) analysis and DFT calculations, were utilized to elucidate the novel structures of (Li similar to 0.5NiB) and the mechanism of Li-deintercalation. We have shown that the deintercalation of Li proceeds via a “zip-lock” mechanism, leading to the condensation of single [NiB] layers into double or triple layers bound via covalent bonds, resulting in structural fragments with Li[NiB](2) and Li[NiB](3) compositions. The crystal structure of Li similar to 0.5NiB is best described as an intergrowth of the ordered single [NiB], double [NiB](2), or triple [NiB](3) layers alternating with single Li layers; this explains its structural complexity. The formation of double or triple [NiB] layers induces a change in the magnetic behavior from temperature-independent paramagnets in the parent LiNiB compounds to the spin-glassiness in the deintercalated Li similar to 0.5NiB counterparts. LiNiB compounds showcase the potential to access a plethora of unique materials, including 2D MBenes (NiB).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000634761500021	Publication Date	2021-03-15
	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	13.858	Times cited		Open Access	Not_Open_Access
	Notes				Approved	Most recent IF: 13.858
	Call Number	UA @ admin @ c:irua:177697			Serial	6790
Permanent link to this record



	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	Batuk, D.; Batuk, M.; Tsirlin, A.A.; Hadermann, J.; Abakumov, A.M.
	Title	Trapping of Oxygen Vacancies at Crystallographic Shear Planes in Acceptor-Doped Pb-Based Ferroelectrics			Type	A1 Journal article
	Year	2015	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	54	Issue	54	Pages	14787-14790
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	The defect chemistry of the ferroelectric material PbTiO3 after doping with Fe(III) acceptor ions is reported. Using advanced transmission electron microscopy and powder X-ray and neutron diffraction, we demonstrate that even at concentrations as low as circa 1.7% (material composition approximately ABO2.95), the oxygen vacancies are trapped into extended planar defects, specifically crystallographic shear planes. We investigate the evolution of these defects upon doping and unravel their detailed atomic structure using the formalism of superspace crystallography, thus unveiling their role in nonstoichiometry in the Pb-based perovskites.
	Address	Chemistry Department, Moscow State University, 119991, Moscow (Russia). artem.abakumov@uantwerpen.be
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language	English	Wos	000367723400031	Publication Date	2015-10-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited	3	Open Access
	Notes	A.M.A. is grateful to the Russian Science Foundation (grant 14-13-00680). AT was funded by the Mobilitas grant MTT77 of the ESF and by the Federal Ministry for Education and Research through the Sofja Kovalevskaya Award of Alexander von Humboldt Foundation.			Approved	Most recent IF: 11.994; 2015 IF: 11.261
	Call Number	c:irua:131104			Serial	4080
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	Author	Gvozdetskyi, V.; Bhaskar, G.; Batuk, M.; Zhao, X.; Wang, R.; Carnahan, S.L.; Hanrahan, M.P.; Ribeiro, R.A.; Canfield, P.C.; Rossini, A.J.; Wang, C.-Z.; Ho, K.-M.; Hadermann, J.; Zaikina, J.V.
	Title	Computationally Driven Discovery of a Family of Layered LiNiB Polymorphs			Type	A1 Journal article
	Year	2019	Publication	Angewandte Chemie: international edition in English	Abbreviated Journal	Angew Chem Int Edit
	Volume	58	Issue	44	Pages	15855-15862
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Two novel lithium nickel boride polymorphs RT-LiNiB and HT-LiNiB with layered crystal structures are reported. This family of compounds was theoretically predicted by using the adaptive genetic algorithm (AGA) and subsequently synthesized via a hydride route with LiH precursor as a lithium source. Being unique among the known ternary transition metal borides, the LiNiB structures feature Li layers alternating with nearly planar [NiB] layers, composed of Ni hexagonal rings centered by B-B pairs. A comprehensive study using a combination of single crystal/synchrotron powder X-ray diffraction data, solid-state 7Li and 11B NMR, scanning transmission electron microscopy, quantum chemistry calculations, and magnetism has shed light on the intrinsic features of these polymorphic compounds. The unique layered structures of LiNiB compounds make them ultimate precursors to further study their exfoliation, paving a way toward two-dimensional transition metal borides, MBenes.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000491219600038	Publication Date	2019-10-28
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1433-7851	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.994	Times cited		Open Access
	Notes	the Gordon and Betty Moore Foundation’s EPiQS Initiative through Grant GBMF4411. The Ames Laboratory is operated for the U.S. Department of Energy by Iowa State University under contract #DE-AC02-07CH11358. Use of the Advanced Photon Source at 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.			Approved	Most recent IF: 11.994
	Call Number	EMAT @ emat @c:irua:164752			Serial	5433
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	Author	Batuk, M.; Vandemeulebroucke, D.; Ceretti, M.; Paulus, W.; Hadermann, J.
	Title	Topotactic redox cycling in SrFeO2.5+δ explored by 3D electron diffraction in different gas atmospheres			Type	A1 Journal article
	Year	2022	Publication	Journal of materials chemistry A : materials for energy and sustainability	Abbreviated Journal	J Mater Chem A
	Volume		Issue		Pages
	Keywords	A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
	Abstract	For oxygen conducting materials applied in solid oxide fuel cells and chemical-looping processes, the understanding of the oxygen diffusion mechanism and the materials’ crystal structure at different stages of the redox reactions is a key parameter to control their performance. In this paper we report the first ever in situ 3D ED experiment in a gas environment and with it uncover the structure evolution of SrFeO2.5 as notably different from that reported from in situ X-ray and in situ neutron powder diffraction studies in gas environments. Using in situ 3D ED on submicron sized single crystals obtained from a high quality monodomain SrFeO2.5 single crystal , we observe the transformation under O2 flow of SrFeO2.5 with an intra- and interlayer ordering of the left and right twisted (FeO4) tetrahedral chains (space group Pcmb) into consecutively SrFeO2.75 with space group Cmmm (at 350°C, 33% O2) and SrFeO3-δ with space group Pm3 ̅m (at 400°C, 100% O2). Upon reduction in H2 flow, the crystals return to the brownmillerite structure with intralayer order, but without regaining the interlayer order of the pristine crystals. Therefore, redox cycling of SrFeO2.5 crystals in O2 and H2 introduces stacking faults into the structure, resulting in an I2/m(0βγ)0s symmetry with variable β.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000891928400001	Publication Date	0000-00-00
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2050-7488	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	11.9	Times cited		Open Access	OpenAccess
	Notes	Financial support is acknowledged from the FWO-Hercules fund I003218N ‘Infrastructure for imaging nanoscale processes in gas/vapor or liquid environments’, from the University of Antwerp through grant BOF TOP 38689. This work was supported by the European Commission Horizon 2020 NanED grant number 956099. Financial support from the French National Research Agency (ANR) through the project “Structural induced Electronic Complexity controlled by low temperature Topotactic Reaction” (SECTOR No. ANR-14-CE36- 0006-01) is gratefully acknowledged.			Approved	Most recent IF: 11.9
	Call Number	EMAT @ emat @c:irua:192325			Serial	7229
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	Author	Batuk, M.; Buffiere, M.; Zaghi, A.E.; Lenaers, N.; Verbist, C.; Khelifi, S.; Vleugels, J.; Meuris, M.; Hadermann, J.
	Title	Effect of the burn-out step on the microstructure of the solution-processed Cu(In,Ga)Se₂ solar cells			Type	A1 Journal article
	Year	2015	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
	Volume	583	Issue	583	Pages	142-150
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	For the development of the photovoltaic industry cheap methods for the synthesis of Cu(In,Ga)Se-2 (CIGSe) based solar cells are required. In this work, CIGSe thin films were obtained by a solution-based method using oxygen-bearing derivatives. With the aimof improving the morphology of the printed CIGSe layers, we investigated two different annealing conditions of the precursor layer, consisting of (1) a direct selenization step (reference process), and (2) a pre-treatment thermal step prior to the selenization. We showed that the use of an Air/H2S burn-out step prior to the selenization step increases the CIGSe grain size and reduces the carbon content. However, it leads to the reduction of the solar cell efficiency from 4.5% in the reference sample down to 0.5% in the annealed sample. Detailed transmission electron microscopy analysis, including high angle annular dark field scanning transmission electron microscopy and energy dispersive X-ray mapping, was applied to characterize the microstructure of the film and to determine the relationship between microstructure and the solar cell performance. We demonstrated that the relatively low efficiency of the reference solar cells is related not only to the nanosize of the CIGSe grains and presence of the pores in the CIGSe layer, but also to the high amount of secondary phases, namely, In/Ga oxide (or hydroxide) amorphous matter, residuals of organicmatter (carbon), and copper sulfide that is formed at the CIGSe/MoSe2 interface. The annealing in H2S during the burn-out step leads to the formation of the copper sulfide at all grain boundaries and surfaces in the CIGSe layer, which results in the noticeably efficiency drop. (C) 2015 Elsevier B.V. All rights reserved.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000353812400024	Publication Date	2015-04-05
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.879	Times cited	5	Open Access
	Notes				Approved	Most recent IF: 1.879; 2015 IF: 1.759
	Call Number	c:irua:126009			Serial	845
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	Author	E. Zaghi, A.; Buffière, M.; Koo, J.; Brammertz, G.; Batuk, M.; Verbist, C.; Hadermann, J.; Kim, W.K.; Meuris, M.; Poortmans, J.; Vleugels, J.;
	Title	Effect of selenium content of CuInSe_x alloy nanopowder precursors on recrystallization of printed CuInSe₂ absorber layers during selenization heat treatment			Type	A1 Journal article
	Year	2014	Publication	Thin solid films : an international journal on the science and technology of thin and thick films	Abbreviated Journal	Thin Solid Films
	Volume		Issue		Pages	1-7
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	Polycrystalline CuInSe2 semiconductors are efficient light absorber materials for thin film solar cell technology, whereas printing is one of the promising low cost and non-vacuum approaches for the fabrication of thin film solar cells. The printed precursors are transformed into a dense polycrystalline CuInSe2 semiconductor film via thermal treatment in ambient selenium atmosphere (selenization). In this study, the effect of the selenium content in high purity mechanically synthesized CuInSex (x = 2, 1.5, 1 or 0.5) alloy precursors on the recrystallization of the CuInSe2 phase during the selenization process was investigated. The nanostructure and phase variation of CuInSex nanopowders were investigated by different characterization techniques. The recrystallization process of the 12 μm thick CuInSex coatings into the CuInSe2 phase during selenization in selenium vapor was investigated via in-situ high temperature X-ray diffraction. The CuInSex precursors with lower selenium content showed a more pronounced phase conversion into CuInSe2 compared to the higher selenium content CuInSex precursors. Moreover, the CuInSex (x = 0.5 and 1) precursor resulted in a denser polycrystalline CuInSe2 semiconductor film with larger crystals. This could be attributed to a more intensive atomic interdiffusion within the CuInSex precursor system compared to a CuInSe2 phase precursor, and the formation of intermediate CuSe and CuSe2 fluxing phases during selenization.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication	Lausanne	Editor
	Language		Wos	000352225900004	Publication Date	2014-10-13
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	0040-6090;	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.879	Times cited	7	Open Access
	Notes				Approved	Most recent IF: 1.879; 2014 IF: 1.759
	Call Number	c:irua:121330			Serial	834
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	Author	Charkin, D.O.; Plokhikh, I.V.; Kazakov, S.M.; Kalmykov, S.N.; Akinfiev, V.S.; Gorbachev, A.V.; Batuk, M.; Abakumov, A.M.; Teterin, Y.A.; Maslakov, K.I.; Teterin, A.Y.; Ivanov, K.E.
	Title	Synthesis and structural characterization of a novel Sillén – Aurivillius bismuth oxyhalide, PbBi3VO7.5Cl, and its derivatives			Type	A1 Journal article
	Year	2018	Publication	Solid state sciences	Abbreviated Journal	Solid State Sci
	Volume	75	Issue		Pages	27-33
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	A new Sillen – Aurivillius family of layered bismuth oxyhalides has been designed and successfully constructed on the basis of PbBiO2X(X = halogen) synthetic perites and g-form of Bi2VO5.5 solid elec- trolyte. This demonstrates, for the first time, the ability of the latter to serve as a building block in construction of mixed-layer structures. The parent compound PbBi3VO7.5-dCl (d = 0.05) has been investigated by powder XRD, TEM, XPS methods and magnetic susceptibility measurements. An unexpected but important condition for the formation of the mixed-layer structure is partial (ca. 5%) reduction of VV into VIV which probably suppresses competitive formation of apatite-like Pb – Bi vanadates. This reduction also stabilizes the g polymorphic form of Bi2VO5.5 not only in the intergrowth structure, but in Bi2V1-xMxO5.5-y (M – Nb, Sb) solid solutions.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000418566200005	Publication Date	2017-11-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1293-2558	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.811	Times cited	1	Open Access	Not_Open_Access
	Notes	The work was partially supported by M.V. Lomonosov Moscow State University Program of Development and Russian Science Foundation under Grant No.14-13-00738. We also thank Dr. K.V. Zakharov (MSU) for the magnetic measurements of the PbBi3- VO7.5Cl sample.			Approved	Most recent IF: 1.811
	Call Number	EMAT @ emat @c:irua:147239			Serial	4769
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	Author	Garud, S.; Gampa, N.; Allen, T.G.; Kotipalli, R.; Flandre, D.; Batuk, M.; Hadermann, J.; Meuris, M.; Poortmans, J.; Smets, A.; Vermang, B.
	Title	Surface passivation of CIGS solar cells using gallium oxide			Type	A1 Journal article
	Year	2018	Publication	Physica status solidi : A : applications and materials science	Abbreviated Journal	Phys Status Solidi A
	Volume	215	Issue	7	Pages	1700826
	Keywords	A1 Journal article; Electron microscopy for materials research (EMAT)
	Abstract	This work proposes gallium oxide grown by plasma-enhanced atomic layer deposition, as a surface passivation material at the CdS buffer interface of Cu(In,Ga)Se-2 (CIGS) solar cells. In preliminary experiments, a metal-insulator-semiconductor (MIS) structure is used to compare aluminium oxide, gallium oxide, and hafnium oxide as passivation layers at the CIGS-CdS interface. The findings suggest that gallium oxide on CIGS may show a density of positive charges and qualitatively, the least interface trap density. Subsequent solar cell results with an estimated 0.5nm passivation layer show an substantial absolute improvement of 56mV in open-circuit voltage (V-OC), 1mAcm(-2) in short-circuit current density (J(SC)), and 2.6% in overall efficiency as compared to a reference (with the reference showing 8.5% under AM 1.5G).
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000430128500015	Publication Date	2018-02-27
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	1862-6300	ISBN		Additional Links	UA library record; WoS full record; WoS citing articles
	Impact Factor	1.775	Times cited	8	Open Access	Not_Open_Access
	Notes	; The work published in this paper was supported by the European Research Council (ERC) under the Union's Horizon 2020 research and innovation programme (grant agreement No 715027). The authors would also like to thank Dr. Marcel Simor (Solliance) for the CIGS layer fabrication and Prof. Johan Lauwaert (Universtiy of Ghent) for his guidance on DLTS measurements. ;			Approved	Most recent IF: 1.775
	Call Number	UA @ lucian @ c:irua:150761			Serial	4981
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	Author	Quintelier, M.; Perkisas, T.; Poppe, R.; Batuk, M.; Hendrickx, M.; Hadermann, J.
	Title	Determination of spinel content in cycled Li_1.2Ni_0.13Mn_0.54Co_0.13O₂ using three-dimensional electron diffraction and precession electron diffraction			Type	A1 Journal article
	Year	2021	Publication	Symmetry-Basel	Abbreviated Journal	Symmetry-Basel
	Volume	13	Issue	11	Pages	1989-17
	Keywords	A1 Journal article; Engineering sciences. Technology; Engineering Management (ENM); Electron microscopy for materials research (EMAT)
	Abstract	Among lithium battery cathode materials, Li1.2Ni0.13Mn0.54Co0.13O2 (LR-NMC) has a high theoretical capacity, but suffers from voltage and capacity fade during cycling. This is partially ascribed to transition metal cation migration, which involves the local transformation of the honeycomb layered structure to spinel-like nano-domains. Determination of the honeycomb layered/spinel phase ratio from powder X-ray diffraction data is hindered by the nanoscale of the functional material and the domains, diverse types of twinning, stacking faults, and the possible presence of the rock salt phase. Determining the phase ratio from transmission electron microscopy imaging can only be done for thin regions near the surfaces of the crystals, and the intense beam that is needed for imaging induces the same transformation to spinel as cycling does. In this article, it is demonstrated that the low electron dose sufficient for electron diffraction allows the collection of data without inducing a phase transformation. Using calculated electron diffraction patterns, we demonstrate that it is possible to determine the volume ratio of the different phases in the particles using a pair-wise comparison of the intensities of the reflections. Using this method, the volume ratio of spinel structure to honeycomb layered structure is determined for a submicron sized crystal from experimental three-dimensional electron diffraction (3D ED) and precession electron diffraction (PED) data. Both twinning and the possible presence of the rock salt phase are taken into account. After 150 charge-discharge cycles, 4% of the volume in LR-NMC particles was transformed irreversibly from the honeycomb layered structure to the spinel structure. The proposed method would be applicable to other multi-phase materials as well.
	Address
	Corporate Author				Thesis
	Publisher		Place of Publication		Editor
	Language		Wos	000815310500001	Publication Date	2021-10-21
	Series Editor		Series Title		Abbreviated Series Title
	Series Volume		Series Issue		Edition
	ISSN	2073-8994	ISBN		Additional Links	UA library record; WoS full record
	Impact Factor	1.457	Times cited		Open Access	OpenAccess
	Notes				Approved	Most recent IF: 1.457
	Call Number	UA @ admin @ c:irua:189468			Serial	7080
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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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