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Author Lu, W.; Cui, W.; Zhao, W.; Lin, W.; Liu, C.; Van Tendeloo, G.; Sang, X.; Zhao, W.; Zhang, Q.
Title In situ atomistic insight into magnetic metal diffusion across Bi0.5Sb1.5Te3 quintuple layers Type A1 Journal article
Year 2022 Publication Advanced Materials Interfaces Abbreviated Journal Adv Mater Interfaces
Volume Issue Pages 2102161
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Diffusion and occupancy of magnetic atoms in van der Waals (VDW) layered materials have significant impact on applications such as energy storage, thermoelectrics, catalysis, and topological phenomena. However, due to the weak VDW bonding, most research focus on in-plane diffusion within the VDW gap, while out-of-plane diffusion has rarely been reported. Here, to investigate out-of-plane diffusion in VDW-layered Bi2Te3-based alloys, a Ni/Bi0.5Sb1.5Te3 heterointerface is synthesized by depositing magnetic Ni metal on a mechanically exfoliated Bi0.5Sb1.5Te3 (0001) substrate. Diffusion of Ni atoms across the Bi0.5Sb1.5Te3 quintuple layers is directly observed at elevated temperatures using spherical-aberration-corrected scanning transmission electron microscopy (STEM). Density functional theory calculations demonstrate that the diffusion energy barrier of Ni atoms is only 0.31-0.45 eV when they diffuse through Te-3(Bi, Sb)(3) octahedron chains. Atomic-resolution in situ STEM reveals that the distortion of the Te-3(Bi, Sb)(3) octahedron, induced by the Ni occupancy, drives the formation of coherent NiM (M = Bi, Sb, Te) at the heterointerfaces. This work can lead to new strategies to design novel thermoelectric and topological materials by introducing magnetic dopants to VDW-layered materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000751742300001 Publication Date 2022-02-07
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 5.4 Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 5.4
Call Number UA @ admin @ c:irua:186421 Serial 6960
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Author Sun, C.; Liao, X.; Peng, H.; Zhang, C.; Van Tendeloo, G.; Zhao, Y.; Wu, J.
Title Interfacial gliding-driven lattice oxygen release in layered cathodes Type A1 Journal article
Year 2022 Publication Cell reports physical science Abbreviated Journal
Volume 3 Issue 1 Pages
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The oxygen release of layered cathodes causes many battery failures, but the underlying mechanism in an actual working cathode is still elusive as it involves secondary agglomerates that introduce complicated boundary structures. Here, we report a general structure instability on the mismatch boundaries driven by interfacial gliding-it introduces a shear stress causing a distortion of the metal-oxygen octahedra framework that reduces its kinetic stability. The migration of cations and diffusion of oxygen vacancies continue to degrade the whole particle from the boundary to the interior, followed by the formation of nano-sized cracks on the fast-degrading interfaces. This work reveals a robust chemical and mechanical interplay on the oxygen release inherent to the intergranular boundaries of layered cathodes. It also suggests that radially patterned columnar grains with low-angle planar boundaries would be an efficient approach to mitigate the boundary oxygen release.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000745659500012 Publication Date 2021-12-20
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 (down) Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:186420 Serial 6961
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Author Missen, O.P.; Mills, S.J.; Canossa, S.; Hadermann, J.; Nenert, G.; Weil, M.; Libowitzky, E.; Housley, R.M.; Artner, W.; Kampf, A.R.; Rumsey, M.S.; Spratt, J.; Momma, K.; Dunstan, M.A.
Title Polytypism in mcalpineite : a study of natural and synthetic Cu₃TeO₆ Type A1 Journal article
Year 2022 Publication Acta Crystallographica. Section B: Structural Science, Crystal Engineering and Materials (Online) Abbreviated Journal Acta Crystallogr B
Volume 78 Issue 1 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Synthetic and naturally occurring forms of tricopper orthotellurate, (Cu3TeO6)-Te-II-O-IV (the mineral mcalpineite) have been investigated by 3D electron diffraction (3D ED), X-ray powder diffraction (XRPD), Raman and infrared (IR) spectroscopic measurements. As a result of the diffraction analyses, (Cu3TeO6)-Te-II-O-IV is shown to occur in two polytypes. The higher-symmetric (Cu3TeO6)-Te-II-O-IV-1C polytype is cubic, space group 1a (3) over bar, with a = 9.537 (1) angstrom and V = 867.4 (3) angstrom(3) as reported in previous studies. The 1C polytype is a well characterized structure consisting of alternating layers of (CuO6)-O-II octahedra and both (CuO6)-O-II and (TeO6)-O-VI octahedra in a patchwork arrangement. The structure of the lower-symmetric orthorhombic (Cu3TeO6)-Te-II-O-IV-2O polytype was determined for the first time in this study by 3D ED and verified by Rietveld refinement. The 2O polytype crystallizes in space group Pcca, with a = 9.745 (3) angstrom, b = 9.749 (2) angstrom, c = 9.771 (2) angstrom and V = 928.3 (4) angstrom(3) . High-precision XRPD data were also collected on (Cu3TeO6)-Te-II-O-IV-2O to verify the lower-symmetric structure by performing a Rietveld refinement. The resultant structure is identical to that determined by 3D ED, with unit-cell parameters a = 9.56157 (19) angstrom, b = 9.55853 (11) angstrom, c = 9.62891 (15) angstrom and V = 880.03 (2) angstrom(3) . The lower symmetry of the 2O polytype is a consequence of a different cation ordering arrangement, which involves the movement of every second (CuO6)-O-II and (TeO6)-O-VI octahedral layer by (1/4, 1/4, 0), leading to an offset of (TeO6)-O-VI and (CuO6)-O-II octahedra in every second layer giving an ABAB* stacking arrangement. Syntheses of (Cu3TeO6)-Te-II-O-IV showed that low-temperature (473 K) hydrothermal conditions generally produce the 2O polytype. XRPD measurements in combination with Raman spectroscopic analysis showed that most natural mcalpineite is the orthorhombic 2O polytype. Both XRPD and Raman spectroscopy measurements may be used to differentiate between the two polytypes of (Cu3TeO6)-Te-II-O-IV. In Raman spectroscopy, (Cu3TeO6)-Te-II-O-IV-1C has a single strong band around 730 cm(-1), whereas (Cu3TeO6)-Te-II-O-IV-2O shows a broad double maximum with bands centred around 692 and 742 cm(-1).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000752899700003 Publication Date 2022-01-18
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 1.9 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 1.9
Call Number UA @ admin @ c:irua:186529 Serial 6962
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Author Charalampopoulou, E.; Lambrinou, K.; Van der Donck, T.; Paladino, B.; Di Fonzo, F.; Azina, C.; Eklund, P.; Mraz, S.; Schneider, J.M.; Schryvers, D.; Delville, R.
Title Early stages of dissolution corrosion in 316L and DIN 1.4970 austenitic stainless steels with and without anticorrosion coatings in static liquid lead-bismuth eutectic (LBE) at 500 degrees C Type A1 Journal article
Year 2021 Publication Materials Characterization Abbreviated Journal Mater Charact
Volume 178 Issue Pages 111234
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract This work addresses the early stages (<= 1000 h) of the dissolution corrosion behavior of 316L and DIN 1.4970 austenitic stainless steels in contact with oxygen-poor (C-O < 10(-8) mass%), static liquid lead-bismuth eutectic (LBE) at 500 degrees C for 600-1000 h. The objective of this study was to determine the relative early-stage resistance of the uncoated steels to dissolution corrosion and to assess the protectiveness of select candidate coatings (Cr2AlC, Al2O3, V2AlxCy). The simultaneous exposure of steels with intended differences in microstructure and thermomechanical state showed the effects of steel grain size, density of annealing/deformation twins, and secondary precipitates on the steel dissolution corrosion behavior. The findings of this study provide recommendations on steel manufacturing with the aim of using the steels to construct Gen-IV lead-cooled fast reactors.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000752582700001 Publication Date 2021-06-01
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 2.714 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 2.714
Call Number UA @ admin @ c:irua:186509 Serial 7061
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Author Arslan Irmak, E.
Title Modelling three-dimensional nanoparticle transformations based on quantitative transmission electron microscopy Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue Pages 169 p.
Keywords Doctoral thesis; Electron microscopy for materials research (EMAT)
Abstract Nanomaterials are materials that have at least one dimension in the nanometer length scale, which corresponds to a billionth of a meter. When three dimensions are confined to the nanometer scale, these materials are referred to as nanoparticles. These materials are of great interest since they exhibit unique physical and chemical properties that cannot be observed for bulk systems. Due to their unique and often superior properties, nanomaterials have become central in the field of electronics, catalysis, and medicine. Moreover, they are expected to be one of the most promising systems to tackle many challenges that our society is facing, such as reducing the emission of greenhouse gases and finding effective treatments for cancer. The unique properties of nanomaterials are linked to their size, shape, structure, and composition. If one is able to measure the positions of the atoms, their chemical nature, and the bonding between them, it becomes possible to predict the physicochemical properties of nanomaterials. In this manner, the development of novel nanostructures can be triggered. However, the morphology and structure of nanomaterials are highly sensitive to the conditions for relevant applications, such as elevated temperatures or intense light illumination. Furthermore, any small change in the local structure at higher temperatures or pressures may significantly modify their performance. Hence, three-dimensional (3D) characterization of nanomaterials under application-relevant conditions is important in designing them with desired functional properties for specific applications. Among different structural characterization approaches, transmission electron microscopy (TEM) is one of the most efficient and versatile tools to investigate the structure and composition of nanomaterials since it can provide atomically resolved images, which are sensitive to the local 3D structure of the investigated sample. However, TEM only provides two-dimensional (2D) images of the 3D nanoparticle, which may lead to an incomplete understanding of their structure-property relationship. The most known and powerful technique for the 3D characterization of nanomaterials is electron tomography, where the images of a nanostructured material taken from different directions are mathematically combined to retrieve its 3D structure. Although these experiments are already state-of-the-art, 3D characterization by TEM is typically performed under ultra-high vacuum conditions and at room temperature. Such conditions are unfortunately not sufficient to understand transformations during synthesis or applications of nanomaterials. This limitation can be overcome by in situ TEM where external stimuli, such as heat, gas, and liquids, can be controllably introduced inside the TEM using specialized holders. However, there are some technical limitations to successful perform 3D in situ electron tomography experiments. For example, the long acquisition time required to collect a tilt series limits this technique when one wants to observe 3D dynamic changes with atomic resolution. A solution for this problem is the estimation of the 3D structure of nanomaterials from 2D projection images acquired along a single viewing direction. For this purpose, annular dark field scanning TEM (ADF STEM) imaging mode provides a valuable tool for quantitative structural investigation of nanomaterials from single 2D images due to its thickness and mass sensitivity. For quantitative analysis, an ADF STEM image is considered as a 2D array of pixels where relative variation of pixel intensity values is proportional to the total number of atoms and the atomic number of the elements in the sample. By applying advanced statistical approaches to these images, structural information, such as the number or types of atoms, can be retrieved with high accuracy and precision. The outcome can then be used to build a 3D starting model for energy minimization by atomistic simulations, for example, molecular dynamics simulations or the Monte Carlo method. However, this methodology needs to be further evaluated for in situ experiments. This thesis is devoted to presenting robust approaches to accurately define the 3D atomic structure of nanoparticles under application-relevant conditions and understand the mechanism behind the atomic-scale dynamics in nanoparticles in response to environmental stimuli.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:188295 Serial 7063
Permanent link to this record
 

 
Author Idrissi, H.; Carrez, P.; Cordier, P.
Title On amorphization as a deformation mechanism under high stresses Type A1 Journal article
Year 2022 Publication Current opinion in solid state and materials science Abbreviated Journal Curr Opin Solid St M
Volume 26 Issue 1 Pages 100976-17
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this paper we review the work related to amorphization under mechanical stress. Beyond pressure, we highlight the role of deviatoric or shear stresses. We show that the most recent works make amorphization appear as a deformation mechanism in its own right, in particular under extreme conditions (shocks, deformations under high stresses, high strain-rates).
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000779433300002 Publication Date 2022-01-13
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-0286 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 11 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 11
Call Number UA @ admin @ c:irua:188014 Serial 7064
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Author Sun, C.; Street, M.; Zhang, C.; Van Tendeloo, G.; Zhao, W.; Zhang, Q.
Title Boron structure evolution in magnetic Cr₂O₃ thin films Type A1 Journal article
Year 2022 Publication Materials Today Physics Abbreviated Journal
Volume 27 Issue Pages 100753-100757
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract B substituting O in antiferromagnetic Cr2O3 is known to increase the Ne ' el temperature, whereas the actual B dopant site and the corresponding functionality remains unclear due to the complicated local structure. Herein, A combination of electron energy loss spectroscopy and first-principles calculations were used to unveil B local structures in B doped Cr2O3 thin films. B was found to form either magnetic active BCr4 tetrahedra or various inactive BO3 triangles in the Cr2O3 lattice, with a* and z* bonds exhibiting unique spectral features. Identification of BO3 triangles was achieved by changing the electron momentum transfer to manipulate the differential cross section for the 1s-z* and 1s-a* transitions. Modeling the experimental spectra as a linear combination of simulated B K edges reproduces the experimental z* / a* ratios for 15-42% of the B occupying the active BCr4 structure. This result is further supported by first-principles based thermodynamic calculations.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000827323200003 Publication Date 2022-06-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2542-5293 ISBN Additional Links UA library record; WoS full record
Impact Factor 11.5 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 11.5
Call Number UA @ admin @ c:irua:189660 Serial 7078
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Author Quintelier, M.; Perkisas, T.; Poppe, R.; Batuk, M.; Hendrickx, M.; Hadermann, J.
Title Determination of spinel content in cycled Li1.2Ni0.13Mn0.54Co0.13O2 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 (down) Open Access OpenAccess
Notes Approved Most recent IF: 1.457
Call Number UA @ admin @ c:irua:189468 Serial 7080
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Author Poulain, R.; Lumbeeck, G.; Hunka, J.; Proost, J.; Savolainen, H.; Idrissi, H.; Schryvers, D.; Gauquelin, N.; Klein, A.
Title Electronic and chemical properties of nickel oxide thin films and the intrinsic defects compensation mechanism Type A1 Journal article
Year 2022 Publication ACS applied electronic materials Abbreviated Journal
Volume 4 Issue 6 Pages 2718-2728
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Although largely studied, contradictory results on nickel oxide (NiO) properties can be found in the literature. We herein propose a comprehensive study that aims at leveling contradictions related to NiO materials with a focus on its conductivity, surface properties, and the intrinsic charge defects compensation mechanism with regards to the conditions preparation. The experiments were performed by in situ photo-electron spectroscopy, electron energy loss spectroscopy, and optical as well as electrical measurements on polycrystalline NiO thin films prepared under various preparation conditions by reactive sputtering. The results show that surface and bulk properties were strongly related to the deposition temperature with in particular the observation of Fermi level pinning, high work function, and unstable oxygen-rich grain boundaries for the thin films produced at room temperature but not at high temperature (>200 degrees C). Finally, this study provides substantial information about surface and bulk NiO properties enabling to unveil the origin of the high electrical conductivity of room temperature NiO thin films and also for supporting a general electronic charge compensation mechanism of intrinsic defects according to the deposition temperature.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000819431200001 Publication Date 2022-06-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2637-6113 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:189555 Serial 7081
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Author Vishwakarma, M.; Batra, Y.; Hadermann, J.; Singh, A.; Ghosh, A.; Mehta, B.R.
Title Exploring the role of graphene oxide as a co-catalyst in the CZTS photocathodes for improved photoelectrochemical properties Type A1 Journal article
Year 2022 Publication ACS applied energy materials Abbreviated Journal
Volume 5 Issue 6 Pages 7538-7549
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The hydrogen evolution properties of CZTS heterostructure photocathodes are reported with graphene oxide (GO) as a co-catalyst layer coated by a drop-cast method and an Al2O3 protection layer fabricated using atomic layer deposition. In the CZTS absorber, a minor deviation from stoichiometry across the cross section of the thin film results in nanoscale growth of spurious phases, but the kesterite phase remains the dominant phase. We have investigated the band alignment parameters such as the band gap, work function, and Fermi level position that are crucial for making kesterite-based heterostructure devices. The photocurrent density in the photocathode CZTS/CdS/ZnO is found to be improved to -4.71 mAmiddotcm(-2) at -0.40 V-RHE, which is 3 times that of the pure CZTS. This enhanced photoresponse can be attributed to faster carrier separation at p-n junction regions driven by upward band bending at CZTS grain boundaries and the ZnO layer. GO as a co-catalyst over the heterostructure photocathode significantly improves the photocurrent density to -6.14 mAmiddotcm(-2) at -0.40 V-RHE by effective charge migration in the CZTS/CdS/ZnO/GO configuration, but the onset potential shifts only after application of the Al2O3 protection layer. Significant photocurrents of -29 mAmiddotcm(-2) at -0.40 V-RHE and -8 mAmiddotcm(-2) at 0 V-RHE are observed, with an onset potential of 0.7 V-RHE in CZTS/CdS/ZnO/GO/Al2O3. The heterostructure configuration and the GO co-catalyst reduce the charge-transfer resistance, while the Al2O3 top layer provides a stable photocurrent for a prolonged time (similar to 16 h). The GO co-catalyst increases the flat band potential from 0.26 to 0.46 V-RHE in CZTS/CdS/ZnO/GO, which supports the bias-induced band bending at the electrolyte-electrode interface.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000820418400001 Publication Date 2022-05-24
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 (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 6.4
Call Number UA @ admin @ c:irua:189666 Serial 7082
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Author Hao, Y.; Velpula, G.; Kaltenegger, M.; Bodlos, W.R.; Vibert, F.; Mali, K.S.; De Feyter, S.; Resel, R.; Geerts, Y.H.; Van Aert, S.; Beljonne, D.; Lazzaroni, R.
Title From 2D to 3D : bridging self-assembled monolayers to a substrate-induced polymorph in a molecular semiconductor Type A1 Journal article
Year 2022 Publication Chemistry of materials Abbreviated Journal Chem Mater
Volume 34 Issue 5 Pages 2238-2248
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In this study, a new bottom-up approach is proposed to predict the crystal structure of the substrate-induced polymorph (SIP) of an archetypal molecular semiconductor. In spite of intense efforts, the formation mechanism of SIPs is still not fully understood, and predicting their crystal structure is a very delicate task. Here, we selected lead phthalocyanine (PbPc) as a prototypical molecular material because it is a highly symmetrical yet nonplanar molecule and we demonstrate that the growth and crystal structure of the PbPc SIPs can be templated by the corresponding physisorbed self-assembled molecular networks (SAMNs). Starting from SAMNs of PbPc formed at the solution/graphite interface, the structural and energetic aspects of the assembly were studied by a combination of in situ scanning tunneling microscopy and multiscale computational chemistry approach. Then, the growth of a PbPc SIP on top of the physisorbed monolayer was modeled without prior experimental knowledge, from which the crystal structure of the SIP was predicted. The theoretical prediction of the SIP was verified by determining the crystal structure of PbPc thin films using X-ray diffraction techniques, revealing the formation of a new polymorph of PbPc on the graphite substrate. This study clearly illustrates the correlation between the SAMNs and SIPs, which are traditionally considered as two separate but conceptually connected research areas. This approach is applicable to molecular materials in general to predict the crystal structure of their SIPs.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000812125800001 Publication Date 2022-02-17
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 8.6 Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 8.6
Call Number UA @ admin @ c:irua:189086 Serial 7084
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Author Penders, A.G.; Konstantinovic, M.J.; Yang, T.; Bosch, R.-w.; Schryvers, D.; Somville, F.
Title Microstructural investigation of IASCC crack tips extracted from thimble tube O-ring specimens Type A1 Journal article
Year 2022 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater
Volume 565 Issue Pages 153727-16
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The microstructural features of intergranular irradiation-assisted stress corrosion crack tips from a redeemed neutron-irradiated flux thimble tube (60 dpa) have been investigated using focused-ion beam analysis and (scanning) transmission electron microscopy. The current work presents a close examination of the deformation field and oxide assembly associated with intergranular cracking, in addition to the analysis of radiation-induced segregation at leading grain boundaries. Evidence of stress induced martensitic transformation extending from the crack tips is presented. Intergranular crack arrest is demonstrated on the account of the external tensile stress orientation, and as a consequence of MnS inclusion particles segregating close to the fractured grain boundary. Exclusive observations of grain boundary oxidation prior to the cracking are presented, which is in full-agreement with the internal oxidation model.(c) 2022 Elsevier B.V. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000799256300004 Publication Date 2022-04-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.1 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 3.1
Call Number UA @ admin @ c:irua:188609 Serial 7086
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Author Ding, L.; Sapanathan, T.; Schryvers, D.; Simar, A.; Idrissi, H.
Title On the formation of antiphase boundaries in Fe₄Al₁₃ intermetallics during a high temperature treatment Type A1 Journal article
Year 2022 Publication Scripta materialia Abbreviated Journal Scripta Mater
Volume 215 Issue Pages 114726-6
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract In this paper, we report atomic scale observations and formation mechanisms of a high-density of antiphase boundaries (APBs) within an ultra-fine-grained Fe4Al13 intermetallic layer at an Al/steel interface after a heat treatment at 596 degrees C. The results reveal that the APBs are formed by nucleation and the glide of partial dislocations with Burgers vector of b/3[010] (b = 12.47 angstrom). The intensive activation of APBs locally transforms the Fe4Al13 structure from the quasicrystal approximant structure to a quasicrystal. Very few stacking faults and nanotwins are observed indicating that the formation of planar defects is mainly driven by this transformation. This new insight on the formation of high density of APBs could possibly lead to an improvement in toughness by increasing the strength/ductility balance of this intermetallic.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000800016600003 Publication Date 2022-04-08
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6462 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 6
Call Number UA @ admin @ c:irua:188644 Serial 7088
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Author Friedrich, T.; Yu, C.-P.; Verbeek, J.; Pennycook, T.; Van Aert, S.
Title Phase retrieval from 4-dimensional electron diffraction datasets Type P1 Proceeding
Year 2021 Publication Proceedings T2 – IEEE International Conference on Image Processing (ICIP), SEP 19-22, 2021, Electr. network Abbreviated Journal
Volume Issue Pages 3453-3457
Keywords P1 Proceeding; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract We present a computational imaging mode for large scale electron microscopy data, which retrieves a complex wave from noisy/sparse intensity recordings using a deep learning approach and subsequently reconstructs an image of the specimen from the Convolutional Neural Network (CNN) predicted exit waves. We demonstrate that an appropriate forward model in combination with open data frameworks can be used to generate large synthetic datasets for training. In combination with augmenting the data with Poisson noise corresponding to varying dose-values, we effectively eliminate overfitting issues. The U-NET[1] based architecture of the CNN is adapted to the task at hand and performs well while maintaining a relatively small size and fast performance. The validity of the approach is confirmed by comparing the reconstruction to well-established methods using simulated, as well as real electron microscopy data. The proposed method is shown to be effective particularly in the low dose range, evident by strong suppression of noise, good spatial resolution, and sensitivity to different atom types, enabling the simultaneous visualisation of light and heavy elements and making different atomic species distinguishable. Since the method acts on a very local scale and is comparatively fast it bears the potential to be used for near-real-time reconstruction during data acquisition.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000819455103114 Publication Date 2021-08-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 978-1-6654-4115-5 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:189462 Serial 7089
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Author Watanabe, Y.; Hyeon-Deuk, K.; Yamamoto, T.; Yabuuchi, M.; Karakulina, O.M.; Noda, Y.; Kurihara, T.; Chang, I.-Y.; Higashi, M.; Tomita, O.; Tassel, C.; Kato, D.; Xia, J.; Goto, T.; Brown, C.M.; Shimoyama, Y.; Ogiwara, N.; Hadermann, J.; Abakumov, A.M.; Uchida, S.; Abe, R.; Kageyama, H.
Title Polyoxocationic antimony oxide cluster with acidic protons Type A1 Journal article
Year 2022 Publication Science Advances Abbreviated Journal
Volume 8 Issue 24 Pages eabm5379-8
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The success and continued expansion of research on metal-oxo clusters owe largely to their structural richness and wide range of functions. However, while most of them known to date are negatively charged polyoxometalates, there is only a handful of cationic ones, much less functional ones. Here, we show an all-inorganic hydroxyiodide [H(10.)7Sb(32.1)O(44)][H2.1Sb2.1I8O6][Sb0.76I6](2)center dot 25H(2)O (HSbOI), forming a face-centered cubic structure with cationic Sb32O44 clusters and two types of anionic clusters in its interstitial spaces. Although it is submicrometer in size, electron diffraction tomography of HSbOI allowed the construction of the initial structural model, followed by powder Rietveld refinement to reach the final structure. The cationic cluster is characterized by the presence of acidic protons on its surface due to substantial Sb3+ deficiencies, which enables HSbOI to serve as an excellent solid acid catalyst. These results open up a frontier for the exploration and functionalization of cationic metal-oxo clusters containing heavy main group elements.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000812533800008 Publication Date 2022-06-17
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2375-2548 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 13.6 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 13.6
Call Number UA @ admin @ c:irua:189689 Serial 7091
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Author Choisez, L.; Ding, L.; Marteleur, M.; Kashiwar, A.; Idrissi, H.; Jacques, P.J.
Title Shear banding-activated dynamic recrystallization and phase transformation during quasi-static loading of β-metastable Ti – 12 wt % Mo alloy Type A1 Journal article
Year 2022 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 235 Issue Pages 118088-13
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Dynamic recrystallization (DRX) within adiabatic shear bands forming during the fracture of TRIP-TWIP β−metastable Ti-12Mo (wt %) alloy was recently reported. The formation of 1-3 µm thick-adiabatic shear bands, and of dynamic recrystallization, was quite surprising as their occurrence generally requires high temperature and/or high strain rate loading while these samples were loaded in quasi-static conditions at room temperature. To better understand the fracture mechanism and associated microstructural evolution, thin foils representative of different stages of the fracture process were machined from the fracture surface by Focused Ion Beam (FIB) and analyzed by Transmission Electron Microscopy (TEM) and Automated Crystal Orientation mapping (ACOM-TEM). Complex microstructure transformations involving severe plastic deformed nano-structuration, crystalline rotation and local precipitation of the omega phase were identified. The spatial and temporal evolution of the microstructure during the propagation of the crack was explained through dynamic recovery and continuous dynamic recrystallization, and linked to the modelled distribution of temperature and strain level where TEM samples were extracted.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000814729300005 Publication Date 2022-06-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.4 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 9.4
Call Number UA @ admin @ c:irua:188505 Serial 7096
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Author Hendrickx, M.; Paulus, A.; Kirsanova, M.A.; Van Bael, M.K.; Abakumov, A.M.; Hardy, A.; Hadermann, J.
Title The influence of synthesis method on the local structure and electrochemical properties of Li-rich/Mn-rich NMC cathode materials for Li-Ion batteries Type A1 Journal article
Year 2022 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel
Volume 12 Issue 13 Pages 2269-18
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Electrochemical energy storage plays a vital role in combating global climate change. Nowadays lithium-ion battery technology remains the most prominent technology for rechargeable batteries. A key performance-limiting factor of lithium-ion batteries is the active material of the positive electrode (cathode). Lithium- and manganese-rich nickel manganese cobalt oxide (LMR-NMC) cathode materials for Li-ion batteries are extensively investigated due to their high specific discharge capacities (>280 mAh/g). However, these materials are prone to severe capacity and voltage fade, which deteriorates the electrochemical performance. Capacity and voltage fade are strongly correlated with the particle morphology and nano- and microstructure of LMR-NMCs. By selecting an adequate synthesis strategy, the particle morphology and structure can be controlled, as such steering the electrochemical properties. In this manuscript we comparatively assessed the morphology and nanostructure of LMR-NMC (Li1.2Ni0.13Mn0.54Co0.13O2) prepared via an environmentally friendly aqueous solution-gel and co-precipitation route, respectively. The solution-gel (SG) synthesized material shows a Ni-enriched spinel-type surface layer at the {200} facets, which, based on our post-mortem high-angle annual dark-field scanning transmission electron microscopy and selected-area electron diffraction analysis, could partly explain the retarded voltage fade compared to the co-precipitation (CP) synthesized material. In addition, deviations in voltage fade and capacity fade (the latter being larger for the SG material) could also be correlated with the different particle morphology obtained for both materials.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000824547500001 Publication Date 2022-07-01
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 5.3 Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 5.3
Call Number UA @ admin @ c:irua:189591 Serial 7098
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Author Arseenko, M.; Hannard, F.; Ding, L.; Zhao, L.; Maire, E.; Villanova, J.; Idrissi, H.; Simar, A.
Title A new healing strategy for metals : programmed damage and repair Type A1 Journal article
Year 2022 Publication Acta materialia Abbreviated Journal Acta Mater
Volume 238 Issue Pages 118241-10
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Self-healing strategies aim at avoiding part repair or even replacement, which is time consuming, expen-sive and generates waste. However, strategies for metallic systems are still under-developed and solid-state solutions for room temperature service are limited to nano-scale damage repair. Here we propose a new healing strategy of micron-sized damage requiring only short and low temperature heating. This new strategy is based on damage localization particles, which can be healed by fast diffusing atoms of the matrix activated during heat treatment. The healing concept was successfully validated with a com-mercial aluminum alloy and manufactured by Friction Stir Processing (FSP). Damage was demonstrated to initiate on particles that were added to the matrix during material processing. In situ 2D and 3D nano -imaging confirmed healing of the damaged material and showed that heating this material for 10 min at 400 degrees C is sufficient to heal incipient damage with complete filling of 70% of all damage (and up to 90% when their initial size is below 0.2 mu m). Furthermore, strength is retained and the work of fracture of the alloy is improved by about 40% after healing. The proposed Programmed Damage and Repair healing strategy could be extended to other metal based systems presenting precipitation. (C) 2022 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000843502700006 Publication Date 2022-08-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6454 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.4 Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 9.4
Call Number UA @ admin @ c:irua:190561 Serial 7121
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Author Penders, A.G.; Konstantinović, M.J.; Van Renterghem, W.; Bosch, R.-W.; Schryvers, D.; Somville, F.
Title Characterization of IASCC crack tips extracted from neutron-irradiated flux thimble tube specimens in view of a probabilistic fracture model Type A1 Journal article
Year 2022 Publication Journal of nuclear materials Abbreviated Journal J Nucl Mater
Volume 571 Issue Pages 154015-154016
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract This study reports the properties of irradiation assisted stress corrosion crack tips extracted by means of focused-ion beam from 60 to 80 dpa neutron-irradiated O-ring specimens tested under straining conditions under a pressurized-water reactor environment. Various crack tip morphologies and surrounding deformation features were analyzed as a function of applied stress, surface oxidation state and loading form – constant versus cyclic. All investigated cracks exhibit grain boundary oxidation in front of the crack tip, with the extent of oxidation being proportional to applied stress. These findings clearly demonstrate that, under the subcritical crack propagation regime, the grain boundary oxide grows faster than the crack. On the other hand, crack tips appertaining to specimens with removed oxide layer at the outer surface show comparatively less oxidation at the crack tip, which could indicate towards crack initiation from regions that exemplify lower stress, such as the O-ring inner surface. Cyclic loading is found to have a more pronounced effect on the crack tip microstructure, demonstrating increased deformation twinning and -martensitic transformation, which signifies towards an increased susceptibility to intergranular failure. Still, the extent of crack tip grain boundary oxidation in this case agrees well with expected values for maximum stress applied during cyclic loading. All results are interpreted based on the probabilistic subcritical crack propagation mechanism and provide strong support to a stress-driven internal oxidation model.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000872389200009 Publication Date 2022-09-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3115 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 3.1 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 3.1
Call Number UA @ admin @ c:irua:190375 Serial 7135
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Author Yang, T.; Kong, Y.; Du, Y.; Li, K.; Schryvers, D.
Title Discovery of core-shell quasicrystalline particles Type A1 Journal article
Year 2023 Publication Scripta materialia Abbreviated Journal
Volume 222 Issue Pages 115040-115046
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Submicron-sized quasicrystalline particles were obtained in an Al-Zn-Mg-Cu alloy produced by traditional melting. These particles consist of an Al-Fe-Ni core and a Mg-Cu-Zn shell and were found to be stable and embedded randomly in the Al matrix. The diffraction patterns of these core-shell particles reveal a decagonal core and an icosahedral shell with, respectively, ten- and five-fold axes aligned. High resolution scanning transmission electron microscopy of the Mg-Cu-Zn shell confirms the five-fold symmetry atomic arrangement and the icosahedral structure. It can therefore be concluded that Fe and Ni impurities play an important role in mediating the formation of such an unusual ternary core-shell quasicrystalline particle. These findings provide some novel insights in the formation of quasicrystals in traditional industrial Al alloys.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000864491400005 Publication Date 2022-09-11
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1359-6462 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 6; 2023 IF: 3.747
Call Number UA @ admin @ c:irua:191489 Serial 7144
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Author Lopez-Garcia, C.; Canossa, S.; Hadermann, J.; Gorni, G.; Oropeza, F.E.; de la Pena O'Shea, V.A.; Iglesias, M.; Monge, M.A.; Gutierrez-Puebla, E.; Gandara, F.
Title Heterometallic molecular complexes act as messenger building units to encode desired metal-atom combinations to multivariate metal-organic frameworks Type A1 Journal article
Year 2022 Publication Journal of the American Chemical Society Abbreviated Journal J Am Chem Soc
Volume 144 Issue 36 Pages 16262-16266
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract A novel synthetic approach is described for the targeted preparation of multivariate metal-organic frameworks (MTV-MOFs) with specific combinations of metal elements. This methodology is based on the use of molecular complexes that already comprise desired metal-atom combinations, as building units for the MTV-MOF synthesis. These units are transformed into the MOF structural constituents through a ligand/linker exchange process that involves structural modifications while preserving their origina l l y encoded atomic combination. Thus, through the use of heterometalli c ring-shaped molecules combining gallium and nickel or cobalt, we have obtained MOFs with identical combinations of the metal elements, now incorporated in the rod-shaped secondary building unit, as confirmed with a combination of X-ray and electron diffraction, electron microscopy, and X-ray absorption spectroscopy techniques.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000841435900001 Publication Date 2022-08-12
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 15 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 15
Call Number UA @ admin @ c:irua:190023 Serial 7169
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Author Hao, Y.
Title A joint experimental-modeling study of the structure and properties of functional molecular monolayers for the control of organic crystal growth Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue Pages xiii, 174 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Among all types of discovered crystals, those formed by organic molecules show the greatest diversity, which results from the intrinsic complexity of the organic molecules and the weak interactions between them. Even for a given compound, different crystal structures can exist. This feature is referred to as polymorphism in the modern crystallographic context and those different crystal forms are called polymorphs. In reality, the crystallization of organic molecules is often performed at the surface of a substrate, giving rise to heterogeneous crystallization. Except for the well-known catalyzing effects, the existence of substrates brings more possibilities to the polymorphic behaviors of organic molecules, promoting the formation of new polymorphs that are only stable in the vicinity of the substrates. For this reason, these new polymorphic forms are often described as substrate-induced polymorphs (SIPs). It is of great importance to understand the formation of SIPs for organic molecules as it has been reported that SIPs can show superior properties with respect to their bulk form counterparts. Up to now, most studies focus on the identifying and characterizing the presence of SIPs, which relies mainly on X-ray diffraction techniques. However, a detailed explanation about the origin of SIPs is still missing. In this work, we have combined several powerful experimental characterization techniques, including X-ray diffraction, transmission electron microscopy (TEM) and scanning tunneling microscopy (STM) in order to reach an integrated view over the formation of SIPs. These experimental studies are strongly supported by computational chemistry simulations, such as density functional theory and molecular dynamics. A big advantage of using atomistic simulations is that it enables the possibility to predict a priori the crystal structures of SIPs and to establish a posteriori the general rules for the formation of SIPs. In practice, this thesis employs state-of-art atomistic simulation approaches in order to bridge substrate-induced polymorphism with a conceptually-connected research area: the self-assembly of molecular networks (SAMNs), also called 2D crystallization. Unlike SIPs, which extend at least several molecular layers, SAMNs are composed of a single layer of molecules with ordered packing. Our simulations have enabled a more comprehensive understanding about the role of substrate during the formation of SIPs and we elucidate how the positional and orientational order of molecules propagates from the substrate to the upper 2D and even 3D crystal layers. In this way, a fundamental understanding of the substrate-induced crystallization is gained by connecting 2D and 3D crystallization using substrate-induced approaches.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:191758 Serial 7176
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Author Frolov, A.S.; Callaert, C.; Batuk, M.; Hadermann, J.; Volykhov, A.A.; Sirotina, A.P.; Amati, M.; Gregoratti, L.; Yashina, L.V.
Title Nanoscale phase separation in the oxide layer at GeTe (111) surfaces Type A1 Journal article
Year 2022 Publication Nanoscale Abbreviated Journal Nanoscale
Volume 14 Issue 35 Pages 12918-12927
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract As a semiconductor ferroelectric, GeTe has become a focus of renewed attention due to the recent discovery of giant Rashba splitting. It already has a wide range of applications, from thermoelectricity to data storage. Its stability in ambient air, as well as the structure and properties of an oxide layer, define the processing media for device production and operation. Here, we studied a reaction between the GeTe (111) surface and molecular oxygen for crystals having solely inversion domains. We evaluated the reaction kinetics both ex situ and in situ using NAP XPS. The structure of the oxide layer is extensively discussed, where, according to HAADF-STEM and STEM-EDX, nanoscale phase separation of GeO2 and Te is observed, which is unusual for semiconductors. We believe that such behaviour is closely related to the ferroelectric properties and the domain structure of GeTe.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000847743300001 Publication Date 2022-08-25
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2040-3364; 2040-3372 ISBN Additional Links UA library record; WoS full record
Impact Factor 6.7 Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 6.7
Call Number UA @ admin @ c:irua:190665 Serial 7181
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Author Guo, A.; Bai, H.; Liang, Q.; Feng, L.; Su, X.; Van Tendeloo, G.; Wu, J.
Title Resistive switching in Ag₂Te semiconductor modulated by Ag+-ion diffusion and phase transition Type A1 Journal article
Year 2022 Publication Advanced Electronic Materials Abbreviated Journal Adv Electron Mater
Volume Issue Pages 2200850-2200858
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Memristors are considered to be the fourth circuit element and have great potential in areas like logic operations, information storage, and neuromorphic computing. The functional material in a memristor, which has a nonlinear resistance, is the key component to be developed. Herein, resistive switching is demonstrated and the structural evolutions in Ag2Te are examined under an external electric field. It is shown that the electroresistance effect is originating from an electronically triggered phase transition together with directional Ag+-ion diffusion. Using in situ transmission electron microscopy, the phase transition from the monoclinic alpha-Ag2Te into the face-centered cubic beta-Ag2Te, accompanied by a change in resistance, is directly observed. Diffusion of Ag+-ions modulates the localized density of Ag+-ion vacancies, leading to a change in electrical conductivity and influences the threshold voltage to trigger the phase transition. During the electric field-driven phase transition, the spontaneous and localized multiple polarizations from the low-symmetry alpha-Ag2Te (referring to an antiferroelectric structure) are vanishing in the cubic beta-Ag2Te (referring to a paraelectric structure). The abrupt resistance change of thin Ag2Te caused by the phase transition and modulated by the applied electric field demonstrates its great potential as functional material in volatile memory and memristors with a low-energy consumption.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000855728500001 Publication Date 2022-09-21
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2199-160x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.2 Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 6.2
Call Number UA @ admin @ c:irua:190582 Serial 7203
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Author Sheath, B.C.; Xu, X.; Manuel, P.; Hadermann, J.; Batuk, M.; O'Sullivan, J.; Bonilla, R.S.; Clarke, S.J.
Title Structures and magnetic ordering in layered Cr oxide arsenides Sr₂CrO₂Cr₂OAs₂ and Sr₂CrO₃CrAs Type A1 Journal article
Year 2022 Publication Inorganic chemistry Abbreviated Journal Inorg Chem
Volume 61 Issue 31 Pages 10-12385
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Two novel chromium oxide arsenide materials have been synthesized, Sr2CrO2Cr2OAs2 (i.e., Sr2Cr3As2O3) and Sr2CrO3CrAs (i.e., Sr2Cr2AsO3), both of which contain chromium ions in two distinct layers. Sr2CrO2Cr2OAs2 was targeted following electron microscopy measurements on a related phase. It crystallizes in the space group P4/mmm and accommodates distorted CrO4As2 octahedra containing Cr2+ and distorted CrO(2)As(4 )octahedra containing Cr3+. In contrast, Sr2CrO3CrAs incorporates Cr3+ in CrO5 square-pyramidal coordination in [Sr2CrO3](+) layers and Cr2+ ions in CrAs(4 )tetrahedra in [CrAs](-) layers and crystallizes in the space group P4/nmm. Powder neutron diffraction data reveal antiferromagnetic ordering in both compounds. In Sr2CrO3CrAs the Cr2+ moments in the [CrAs](-) layers exhibit long-range ordering, while the Cr3+ moments in the [Sr2CrO3](+) layers only exhibit short-range ordering. However, in Sr2CrO2Cr2OAs2, both the Cr(2+ )moments in the CrO4As2 environments and the Cr3+ moments in the CrO2As4 polyhedra are long-range-ordered below 530(10) K. Above this temperature, only the Cr3+ moments are ordered with a Neel temperature slightly in excess of 600 K. A subtle structural change is evident in Sr2CrO2Cr2OAs2 below the magnetic ordering transitions.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000841943600001 Publication Date 2022-07-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0020-1669 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.6 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 4.6
Call Number UA @ admin @ c:irua:190007 Serial 7215
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Author Pacquets, L.
Title Towards stable Cu-Ag bimetallic nanoparticles to boost the electrocatalytic CO2 reduction Type Doctoral thesis
Year 2022 Publication Abbreviated Journal
Volume Issue Pages xvi, 188 p.
Keywords Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)
Abstract Ever since the industrial revolution, the emission of greenhouse gasses dramatically increased, resulting in high CO2 concentration in the atmosphere. The electrochemical conversion of CO2 to value added products, such as carbon monoxide, formic acid, methane, ethylene and ethanol is a very promising strategy to inhibit CO2 emissions. Nevertheless, at the moment, the electrochemical CO2 reduction (eCO2R) is not yet industrially viable, mainly due to the lack of good electrocatalysts. On the other hand, core-shell nanoparticles (NPs) have emerged over the last couple of years as promising candidates. It is believed that bimetallic enhancement effects are behind the improved performance of these core-shell NPs when compared to the individual metals. Although widely investigated, there are still some remaining issues and/or open questions. Indeed, the development of a robust and straightforward synthesis method along with fundamental insight into their resistance towards electrochemical stress remains absent. A good control over morphology, size and composition is key in determining which properties are beneficial for the eCO2R. Since these catalysts are designed to be implemented in electrolyzers, they have to maintain long-term performance. This makes the design of a reproducible method, unveiling structure-performance relationships the effect of electrochemical stress, a crucial aspect. Exploring and modifying existing synthesis methods, have led to the acquisition of a robust and reproducible synthesis method where thermal decomposition of the Cu core is combined with the galvanic replacement of Ag in organic solvents. The implementation of this method has led to the design of a wide variety of Cu-Ag bimetallic NPs and enabled to investigate their composition-selectivity profile. Introducing Ag on Cu suppressed hydrogen and increased the CO formation. CO production was boosted by using Cu@Ag core-shells and was promoted even more by changing the type of electrolyte. As these nanoparticles suffered from degradation, the 3D mapping of the structural changes of Cu@Ag core-shells under operating conditions led to the hypothesis of a two-step degradation mechanism where initially Cu leaching was observed with the subsequent sintering of the Ag shells. One approach to avoid this electrochemical degradation, investigated in this research, was the application of an ultrathin carbon layer to protect the active layer. This ultrathin carbon layer operated as a protective layer, suppressing hydrogen production and increasing the stability of the electrocatalyst. In conclusion, the product selectivity can be tuned by using different Cu-Ag bimetallic nanoparticles synthesized through a robust method. Their unique degradation pathway of Cu@Ag core-shell nanoparticles has led to the proposition of a more accurate stabilization strategy. These findings can contribute significantly in the quest for improved electrocatalysts for the eCO2R.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos Publication Date
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record
Impact Factor Times cited (down) Open Access
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:190236 Serial 7221
Permanent link to this record
 

 
Author Zeegers, M.T.; Kadu, A.; van Leeuwen, T.; Batenburg, K.J.
Title ADJUST : a dictionary-based joint reconstruction and unmixing method for spectral tomography Type A1 Journal article
Year 2022 Publication Inverse problems Abbreviated Journal Inverse Probl
Volume 38 Issue 12 Pages 125002-125033
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Advances in multi-spectral detectors are causing a paradigm shift in x-ray computed tomography (CT). Spectral information acquired from these detectors can be used to extract volumetric material composition maps of the object of interest. If the materials and their spectral responses are known a priori, the image reconstruction step is rather straightforward. If they are not known, however, the maps as well as the responses need to be estimated jointly. A conventional workflow in spectral CT involves performing volume reconstruction followed by material decomposition, or vice versa. However, these methods inherently suffer from the ill-posedness of the joint reconstruction problem. To resolve this issue, we propose 'A Dictionary-based Joint reconstruction and Unmixing method for Spectral Tomography' (ADJUST). Our formulation relies on forming a dictionary of spectral signatures of materials common in CT and prior knowledge of the number of materials present in an object. In particular, we decompose the spectral volume linearly in terms of spatial material maps, a spectral dictionary, and the indicator of materials for the dictionary elements. We propose a memory-efficient accelerated alternating proximal gradient method to find an approximate solution to the resulting bi-convex problem. From numerical demonstrations on several synthetic phantoms, we observe that ADJUST performs exceedingly well compared to other state-of-the-art methods. Additionally, we address the robustness of ADJUST against limited and noisy measurement patterns. The demonstration of the proposed approach on a spectral micro-CT dataset shows its potential for real-world applications. Code is available at https://github.com/mzeegers/ADJUST.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000868885200001 Publication Date 2022-09-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0266-5611 ISBN Additional Links UA library record; WoS full record
Impact Factor 2.1 Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 2.1
Call Number UA @ admin @ c:irua:191536 Serial 7280
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Author Morsdorf, L.; Kashiwar, A.; Kübel, C.; Tasan, C.C.
Title Carbon segregation and cementite precipitation at grain boundaries in quenched and tempered lath martensite Type A1 Journal article
Year 2023 Publication Materials science and engineering: part A: structural materials: properties, microstructure and processing Abbreviated Journal
Volume 862 Issue Pages 144369-21
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Tempering is widely applied to make carbon atoms beneficially rearrange in high strength steel microstructures after quenching; though the nano-scale interaction of carbon atoms with crystallographic defects is hard to experimentally observe. To improve, we investigate the redistribution of carbon atoms along martensite grain boundaries in a quenched and tempered low carbon steel. We observe the tempering-induced microstructural evolution by in-situ heating in a transmission electron microscope (TEM) and by compositional analysis through atom probe tomography (APT). Probe volumes for APT originate from a single martensite packet but in different tempering conditions, which is achieved via a sequential lift-out with in-between tempering treatments. The complementary use of TEM and APT provides crystallographic as well as chemical information on carbon segregation and subsequent carbide precipitation at martensite grain boundaries. The results show that the amount of carbon segregation to martensite grain boundaries is influenced by the boundary type, e.g. low-angle lath or high-angle block boundaries. Also, the growth behavior of cementite precipitates from grain boundary nucleation sites into neighboring martensite grains differs at low- and high-angle grain boundaries. This is due to the crystallographic constraints arising from the semi-coherent orientation relationship between cementite and adjacent martensite. We also show that slower quenching stabilizes thin retained austenite films between martensite grains because of enhanced carbon segregation during cooling. Finally, we demonstrate the effect of carbon redistribution along martensite grain boundaries on the mechanical properties. Here, we compare micro-scale Vickers hardness results from boundary-containing probe volumes to nanoindentation results from pure bulk martensite (boundary-free) probe volumes.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000905165700001 Publication Date 2022-12-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0921-5093 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 6.4 Times cited (down) Open Access Not_Open_Access
Notes Approved Most recent IF: 6.4; 2023 IF: 3.094
Call Number UA @ admin @ c:irua:192279 Serial 7285
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Author Krishnamurthy, S.C.; Arseenko, M.; Kashiwar, A.; Dufour, P.; Marchal, Y.; Delahaye, J.; Idrissi, H.; Pardoen, T.; Mertens, A.; Simar, A.
Title Controlled precipitation in a new Al-Mg-Sc alloy for enhanced corrosion behavior while maintaining the mechanical performance Type A1 Journal article
Year 2023 Publication Materials characterization Abbreviated Journal
Volume 200 Issue Pages 112886-11
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract The hot working of 5xxx series alloys with Mg ≥3.5 wt% is a concern due to the precipitation of β (Al3Mg2) phase at grain boundaries favoring Inter Granular Corrosion (IGC). The mechanical and corrosion properties of a new 5028-H116 Al-Mg-Sc alloy under various β precipitates distribution is analyzed by imposing different cooling rates from the hot forming temperature (i.e. 325 °C). The mechanical properties are maintained regardless of the heat treatment. However, the different nucleation sites and volume fractions of β precipitates for different cooling rates critically affect IGC. Controlled furnace cooling after the 325 °C heat treatment is ideal in 5028-H116 alloy to reduce susceptibility to IGC after sensitization.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000977059100001 Publication Date 2023-04-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 4.7 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 4.7; 2023 IF: 2.714
Call Number UA @ admin @ c:irua:195598 Serial 7291
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Author Bian, G.; Ageeva, O.; Roddatis, V.; Li, C.; Pennycook, T.J.; Habler, G.; Abart, R.
Title Crystal structure controls on oriented primary magnetite micro-inclusions in plagioclase From oceanic gabbro Type A1 Journal article
Year 2023 Publication Journal of petrology Abbreviated Journal
Volume 64 Issue 3 Pages egad008-18
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Oriented needle-, lath- and plate-shaped magnetite micro-inclusions in rock forming plagioclase from mafic intrusive rocks, were investigated using correlated optical microscopy and scanning transmission electron microscopy. The magnetite micro-inclusions were analysed on cuts parallel and perpendicular to the inclusion-elongation directions. The crystal structures of the two phases are in direct contact along the interfaces. The shape, shape orientation and crystallographic orientation relationships between the magnetite micro-inclusions and the plagioclase host appear to be controlled by the tendency of the system to optimise lattice match along the interfaces. The elongation direction of the inclusions ensures good match between prominent oxygen layers in the magnetite and plagioclase crystal structures across the interfaces bounding the inclusions parallel to their elongation direction. In cross-section, additional modes of lattice match, such as the commensurate impingement of magnetite and plagioclase lattice planes along the interfaces, the parallel alignment of the interfaces to low-index lattice planes of magnetite or plagioclase, or the parallel alignment to low index lattice planes of both phases are observed, which appear to control the selection of interface facets, as well as the shape and crystallographic orientation relationships between magnetite micro-inclusions and plagioclase host. The systematics of the inclusion cross-sectional shapes and crystallographic orientation relationships indicate recrystallisation of magnetite with potential implications for natural remanent magnetisation of magnetite-bearing plagioclase grains.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 001010636400007 Publication Date 2023-01-28
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0022-3530 ISBN Additional Links UA library record; WoS full record
Impact Factor 3.9 Times cited (down) Open Access OpenAccess
Notes Approved Most recent IF: 3.9; 2023 IF: 3.28
Call Number UA @ admin @ c:irua:195160 Serial 7292
Permanent link to this record