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Author Buschmann, V.; Van Tendeloo, G. pdf  doi
openurl 
  Title Structural characterization of colloidal Ag2Se nanocrystals Type A1 Journal article
  Year 1998 Publication Langmuir Abbreviated Journal Langmuir  
  Volume 14 Issue Pages 1528-1531  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000072914700007 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0743-7463;1520-5827; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.833 Times cited 15 Open Access  
  Notes Approved Most recent IF: 3.833; 1998 IF: 2.813  
  Call Number UA @ lucian @ c:irua:25659 Serial 3218  
Permanent link to this record
 

 
Author Leroux, C.; Nihoul, G.; Van Tendeloo, G. doi  openurl
  Title From VO2(B) to VO2(R): theoretical structures of VO2 polymorphs and in situ electron microscopy Type A1 Journal article
  Year 1998 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 57 Issue 9 Pages 5111-5121  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos 000072358600037 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 122 Open Access  
  Notes Approved Most recent IF: 3.836; 1998 IF: NA  
  Call Number UA @ lucian @ c:irua:25658 Serial 1290  
Permanent link to this record
 

 
Author Van Tendeloo, G. pdf  doi
openurl 
  Title High resolution electron microscopy in materials research Type A1 Journal article
  Year 1998 Publication Journal of materials chemistry Abbreviated Journal J Mater Chem  
  Volume 8 Issue 4 Pages 797-808  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Cambridge Editor  
  Language Wos 000073072600001 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0959-9428;1364-5501; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 8 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:25657 Serial 1451  
Permanent link to this record
 

 
Author Huvé, M.; Renard, C.; Abraham, F.; Van Tendeloo, G.; Amelinckx, S. pdf  doi
openurl 
  Title Electron microscopy of a family of hexagonal perovskites: one-dimensional structures related to Sr4Ni3O9 Type A1 Journal article
  Year 1998 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 135 Issue Pages 1-16  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000072523100001 Publication Date 2002-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-4596; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.299 Times cited 30 Open Access  
  Notes Approved Most recent IF: 2.299; 1998 IF: 1.432  
  Call Number UA @ lucian @ c:irua:25656 Serial 958  
Permanent link to this record
 

 
Author Buschmann, V.; Fedina, L.; Rodewald, M.; Van Tendeloo, G. pdf  doi
openurl 
  Title A new model for the (2x1) reconstructed CoSi2-Si(100) interface Type A1 Journal article
  Year 1998 Publication Philosophical magazine letters Abbreviated Journal Phil Mag Lett  
  Volume 77 Issue 3 Pages 147-151  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000072112000004 Publication Date 2002-07-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0950-0839;1362-3036; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 0.941 Times cited 10 Open Access  
  Notes Approved Most recent IF: 0.941; 1998 IF: 1.152  
  Call Number UA @ lucian @ c:irua:25655 Serial 2326  
Permanent link to this record
 

 
Author Adriaens, A.; Goossens, D.; Pijpers, A.; Van Tendeloo, G.; Gijbels, R. doi  openurl
  Title Dissolution study of potassium feldspars using hydrothermally treated sanidine as an example Type A1 Journal article
  Year 1999 Publication Surface and interface analysis Abbreviated Journal Surf Interface Anal  
  Volume 27 Issue Pages 8-23  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos 000078240800002 Publication Date 2002-09-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0142-2421;1096-9918; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.132 Times cited 4 Open Access  
  Notes Approved Most recent IF: 1.132; 1999 IF: 1.705  
  Call Number UA @ lucian @ c:irua:22726 Serial 741  
Permanent link to this record
 

 
Author Verbist, K.; Lebedev, O.I.; Verhoeven, M.A.J.; Winchern, R.; Rijnders, A.J.H.M.; Blank, D.H.A.; Tafuri, F.; Bender, H.; Van Tendeloo, G. pdf  doi
openurl 
  Title Microstructure of YBa2Cu3O7-\delta Josephson junctions in relation to their properties Type A1 Journal article
  Year 1998 Publication Superconductor science and technology Abbreviated Journal Supercond Sci Tech  
  Volume 11 Issue Pages 13-20  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Bristol Editor  
  Language Wos 000071820300005 Publication Date 2002-08-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0953-2048;1361-6668; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.878 Times cited Open Access  
  Notes Approved Most recent IF: 2.878; 1998 IF: 2.050  
  Call Number UA @ lucian @ c:irua:22112 Serial 2075  
Permanent link to this record
 

 
Author Van Tendeloo, G.; De Meulenaere, P.; Letouzé, F.; Martin, C.; Hervieu, M.; Raveau, B. pdf  doi
openurl 
  Title Cation ordering in [(Tl, M)O] layers of “1202”-based cuprates : similarity to ordering in fcc-based alloys Type A1 Journal article
  Year 1997 Publication Journal of solid state chemistry Abbreviated Journal J Solid State Chem  
  Volume 132 Issue Pages 113-122  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract ''1201'' Tl-based substituted cuprates of the type (Tl1-xMx) Sr2CuO5 have been synthesized for M = Nb, Ta, or W. These materials do not superconduct due to a statistical distribution of some of the M for Cu. The remarkable feature of these materials is the ordering observed between Tl and M in the (Tl1-xMx-epsilon)O plane. The type of ordering depends on the composition and shows remarkable similarities with the ordering in Ni-Mo or other so-called 1 1/2 0 type fcc-based alloys or with the ordering in rocksalt oxides TiOx. The short-range order, for M = W, can be readily interpreted in terms of a mixing of nano-clusters with two different compositions. These observations of two-dimensional ordering confirm recent ideas about ordering in three-dimensional fcc-based alloys.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication London Editor  
  Language Wos A1997XY68900015 Publication Date 2002-10-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-4596; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.299 Times cited 2 Open Access  
  Notes Approved Most recent IF: 2.299; 1997 IF: 1.486  
  Call Number UA @ lucian @ c:irua:21448 Serial 299  
Permanent link to this record
 

 
Author Rodewald, M.; Rodewald, K.; De Meulenaere, P.; Van Tendeloo, G. url  doi
openurl 
  Title Real-space characterization of short-range order in Cu-Pd alloys Type A1 Journal article
  Year 1997 Publication Physical review : B : condensed matter and materials physics Abbreviated Journal Phys Rev B  
  Volume 55 Issue 21 Pages 14173-14181  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Cu-Pd alloys containing 10, 20, 30, 40, and 50 at. % Pd and quenched from a temperature just above the ordering temperature T-c are investigated by electron diffraction and high-resolution electron microscopy (HREM). The results show diffuse electron diffraction intensities at {100} and {110} positions for the alloy with 10 at. % Pd, but with a characteristic twofold and fourfold splitting for the alloys with more than 10 at. % Pd. High-resolution images show the formation of microdomains best developed between 20 and 30 at. % Pd. A real-space characterization has been performed by applying videographic real-structure simulations revealing that the splitting of the diffuse maxima depends on the average distance between microdomains of Cu3Au type in antiphase with each other. By applying image processing routines on the HREM images, correlation vectors are identified which correspond to correlations between microdomains.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Lancaster, Pa Editor  
  Language Wos A1997XE37100036 Publication Date 2002-07-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0163-1829;1095-3795; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.836 Times cited 15 Open Access  
  Notes Approved Most recent IF: 3.836; 1997 IF: NA  
  Call Number UA @ lucian @ c:irua:21439 Serial 2828  
Permanent link to this record
 

 
Author De Meulenaere, P.; Mommaert, C.; Van Tendeloo, G. pdf  doi
openurl 
  Title Short-range order in phase segregation systems Type A1 Journal article
  Year 1997 Publication Solid state communications Abbreviated Journal Solid State Commun  
  Volume 102 Issue 9 Pages 687-690  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Spin systems on an f.c.c.-lattice which exhibit phase segregation are studied by means of Monte Carlo simulations. Short-range order, both above and below the segregation temperature, is observed. Experimental evidence for short range order in Ti-V is provided by electron diffraction.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos A1997WX40300011 Publication Date 2003-05-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0038-1098; ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 1.554 Times cited Open Access  
  Notes Approved Most recent IF: 1.554; 1997 IF: 1.323  
  Call Number UA @ lucian @ c:irua:21429 Serial 2997  
Permanent link to this record
 

 
Author Bernaerts, D.; Amelinckx, S.; Van Tendeloo, G.; van Landuyt, J. doi  openurl
  Title Electron microscopy of carbon nanotubes and related structures Type A1 Journal article
  Year 1997 Publication The journal of physics and chemistry of solids Abbreviated Journal J Phys Chem Solids  
  Volume 58 Issue 11 Pages 1807-1813  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication New York, N.Y. Editor  
  Language Wos 000071510100029 Publication Date 2003-04-05  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0022-3697; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 2.059 Times cited 12 Open Access  
  Notes Approved Most recent IF: 2.059; 1997 IF: 1.083  
  Call Number UA @ lucian @ c:irua:21425 Serial 959  
Permanent link to this record
 

 
Author Suvorov, A.V.; Lebedev, O.I.; Suvorova, A.A.; van Landuyt, J.; Usov, I.O. doi  openurl
  Title Defect characterization in high temperature implanted 6H-SiC using TEM Type A1 Journal article
  Year 1997 Publication Nuclear instruments and methods in physics research: B Abbreviated Journal Nucl Instrum Meth B  
  Volume 127/128 Issue Pages 347-349  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos A1997XG60500078 Publication Date 2002-07-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0168-583X; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.109 Times cited 17 Open Access  
  Notes Approved Most recent IF: 1.109; 1997 IF: 1.016  
  Call Number UA @ lucian @ c:irua:21411 Serial 613  
Permanent link to this record
 

 
Author Seo, J.W.; Schryvers, D. doi  openurl
  Title Defect structures in CuZr martensite, studies by CTEM and HRTEM Type A1 Journal article
  Year 1997 Publication Journal de physique: 4 Abbreviated Journal J Phys Iv  
  Volume C5 Issue Pages 149-154  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Les Ulis Editor  
  Language Wos 000072520300024 Publication Date 2007-07-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1155-4339; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 1 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:21351 Serial 623  
Permanent link to this record
 

 
Author Schryvers, D.; Yandouzi, M.; Holland-Moritz, D.; Toth, L. doi  openurl
  Title HRTEM study of austenite and martensite in splat-cooled and nanoscale thin film Ni-Al Type A1 Journal article
  Year 1997 Publication Journal de physique: 4 Abbreviated Journal J Phys Iv  
  Volume C5 Issue Pages 203-208  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Les Ulis Editor  
  Language Wos 000072520300033 Publication Date 2007-07-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1155-4339; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 2 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:21350 Serial 1517  
Permanent link to this record
 

 
Author Schryvers, D. doi  openurl
  Title Electron microscopy studies of martensite microstructures Type A1 Journal article
  Year 1997 Publication Journal de physique: 4 Abbreviated Journal J Phys Iv  
  Volume C5 Issue Pages 109-118  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Les Ulis Editor  
  Language Wos 000072520300018 Publication Date 2007-07-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1155-4339; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 2 Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ lucian @ c:irua:21348 Serial 968  
Permanent link to this record
 

 
Author Van Tendeloo, G.; De Meulenaere, P.; Schryvers, D. pdf  doi
openurl 
  Title Landscape roughness at an atomic scale Type A1 Journal article
  Year 1997 Publication Physica: D : nonlinear phenomena Abbreviated Journal Physica D  
  Volume 107 Issue Pages 401-410  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract A large number of materials have a highly degenerate ground state and therefore a complex microstructure. Because of this degenerate state, phase transitions between the different phases play an important role. High resolution techniques in electron microscopy and nano-scale chemical analysis allow to study not only the microstructure but also the interfaces down to an atomic scale. We focus particularly on the ambiguity of alloys oil approaching the phase transition. The short range order (SRO) in ''1 1/20'' type alloys and the microstructure of ''tweed'' and needle formation in martensite like alloys with composition Ni5Al3 are considered in more detail.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Amsterdam Editor  
  Language Wos A1997YC73400034 Publication Date 2003-05-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-2789; ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 1.514 Times cited 2 Open Access  
  Notes Approved Most recent IF: 1.514; 1997 IF: 1.508  
  Call Number UA @ lucian @ c:irua:21347 Serial 1775  
Permanent link to this record
 

 
Author Lu, Q. url  openurl
  Title Precipitation behavior and heat resistance properties of Al-Cu-Mg-Ag-(Si) alloy Type Doctoral thesis
  Year 2024 Publication Abbreviated Journal  
  Volume Issue Pages VIII, 212 p.  
  Keywords Doctoral thesis; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract With the rapid increase in the speed of new-generation aerospace vehicles, conventional heat-resistant aluminum alloys cannot meet the long-term service of the equipment. Therefore, the development of new high-strength heat-resistant aluminum alloys is of great strategic for the sustainable and high-quality development of industries. Al-Cu-Mg-Ag alloy is an age-hardenable heat-resistant aluminum alloy and has high strength and heat resistance. The addition of alloying elements such as Si and Sc to Al-Cu-Mg-Ag alloy introduces a competitive relationship among the σ-Al5Cu6Mg2, θ′-Al2Cu, and Ω phases. Therefore, a systematic investigation of precipitation behavior and heat resistance of Al-Cu-Mg-Ag-(Si) is essential for guiding the design of high-strength heat-resistant aluminum alloys. Combined characterization testing methods such as scanning electron microscopy, transmission electron microscopy, atom probe tomography, microhardness testing, and tensile testing with simulation calculation methods such as calculation of phase diagram, first-principles calculations, and Ab initio molecular dynamics, the effects of heat treatment processes and element content on the precipitation behavior, mechanical properties, and heat resistance of Al-Cu-Mg-Ag-(Si) alloys were systematically investigated. Furthermore, a multiple interface segregation structure was constructed at the θ′/Al interface, and a new Al-Cu-Mg-Ag-Si-Sc alloy with synergistically improved strength and heat resistance was developed. The main conclusions are as follows: (1) Based on the Kampmann-Wagner-Numerical theory, the relationship between the coarsening rate of the Ω phase and the aging process was analyzed, revealing for the first time that the critical size of Ω phase ( ) under thermal exposure temperature was the key factor determining the coarsening rate of Ω phase during long time thermal exposure heat treatment. After artificial ageing, when the size of Ω phase was smaller than the critical size , the dissolution of smaller Ω phase leaded to a rapid decrease in the number density of Ω phases, thereby reducing the heat resistance of the alloy. When the size of Ω phase was greater than or equal to the critical size , the coarsening rate of Ω phase was consistent, but a larger initial size would result in a larger final size after long-term thermal exposure. Therefore, the closer the size of Ω phase in the alloy is to the critical size under heat exposure temperature, the better the heat resistance of the alloy. (2) A concept of constructing a multiple interface segregation structure at the precipitate/matrix interface was proposed, and based on this concept, a multiple interface segregation structure containing the C/L-AlMgSiCu interfacial phase, newly discovered χ-AgMg interfacial phase, and Sc segregation layer was successfully constructed at the θ′/Al interface. The existence of the multiple interface segregation structure ensured that the designed Al-Cu-Mg-Ag-Si-Sc alloy maintains a yield strength of 400 MPa after thermal exposure at 200 C for 100 h, with a strength retention rate of 97%, creating a new record for the synergistic improvement of strength and heat resistance in aluminum alloys. In addition, combining transmission electron microscopy ex-situ/in-situ characterization with first-principles calculations, it is shown that the χ-AgMg interface phase will be destroyed due to the diffusion of the outer Ag layer during thermal exposure, and gradually dissolve into the matrix, but it can still delay the coarsening behavior of θ′-Al2Cu phase. (3) The criteria for determining whether Ω phase can precipitate are updated in Al-Cu-Mg-Ag-Si alloys with low Mg/Si ratio based on phase diagram thermodynamic calculations and multi-scale structural characterization. When W(Mg)/W(Si) > 1.4 and X(Ag)/X(Mgexcess) > 1, Ω phase can precipitate in Al-Cu-Mg-Ag-Si alloys, where X(Mgexcess) represents the atomic percentage of residual Mg elements after the formation of the AlMgSiCu quaternary precipitate phase C/L phase in the supersaturated solid solution, and the W(Mg) is the mass fraction of Mg in the supersaturated solid solution before artificial ageing. (4) The effects of alloy element content on precipitation behavior and heat resistance of Al-Cu-Mg-Ag-Si alloys were systematically analyzed. Critical conditions for the precipitation of σ-Al5Cu6Mg2 and Ω phase in Al-Cu-Mg-Ag-Si alloys are revealed. Based on calculation of phase diagram results, the conditions for precipitating σ-Al5Cu6Mg2 phase in the alloy are: ① W(Mg)/W(Si) > 1.8; ② W(Cu) > 2.7W(Mg) – 5W(Si). When W(Mg)/W(Si) < 1.8, the alloy is mainly precipitated with C/L/Q′-AlMgSiCu. When W(Cu) < 2.7W(Mg) – 5W(Si), the alloy will generate GPB zone. In addition, W(Ag)/W(Si) > 4 is the critical condition which the Ω phase can the main precipitates in Al-Cu-Mg-Ag-Si alloys. Furthermore, the correlation between precipitate types and heat resistance was summarized, showing that Al-Cu-Mg-Ag-(Si) alloys with Ω phase as the main strengthening phase are more suitable for the preparation of structures with short service time but high temperature, while Al-Cu-Mg-Ag-(Si) alloys with low Mg content and multiple segregation structures are more suitable for structures requiring long-term service at medium to high temperatures. This study, for the first time, combines calculation of phase diagram with multi-scale microstructure characterization, systematically unraveling the effects of element content on precipitation behavior, strength, and heat resistance of Al-Cu-Mg-Ag-(Si) alloys. In addition, a concept of constructing a multiple interface segregation structure at the precipitate/matrix interface was proposed to synergistically improve alloy strength and heat resistance. This work provides theoretical guidance for optimizing the composition and processing of Al-Cu-Mg-Ag-(Si) alloy and regulating the microstructure. Furthermore, it also offers new ideas and theoretical guidance for the development of novel high-strength heat-resistant alloys in other systems.  
  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 (down) UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:206180 Serial 9167  
Permanent link to this record
 

 
Author Xu, H.; Li, H.; Gauquelin, N.; Chen, X.; Wu, W.-F.; Zhao, Y.; Si, L.; Tian, D.; Li, L.; Gan, Y.; Qi, S.; Li, M.; Hu, F.; Sun, J.; Jannis, D.; Yu, P.; Chen, G.; Zhong, Z.; Radovic, M.; Verbeeck, J.; Chen, Y.; Shen, B. pdf  doi
openurl 
  Title Giant tunability of Rashba splitting at cation-exchanged polar oxide interfaces by selective orbital hybridization Type A1 Journal article
  Year 2024 Publication Advanced materials Abbreviated Journal  
  Volume Issue Pages  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The 2D electron gas (2DEG) at oxide interfaces exhibits extraordinary properties, such as 2D superconductivity and ferromagnetism, coupled to strongly correlated electrons in narrow d-bands. In particular, 2DEGs in KTaO3 (KTO) with 5d t2g orbitals exhibit larger atomic spin-orbit coupling and crystal-facet-dependent superconductivity absent for 3d 2DEGs in SrTiO3 (STO). Herein, by tracing the interfacial chemistry, weak anti-localization magneto-transport behavior, and electronic structures of (001), (110), and (111) KTO 2DEGs, unambiguously cation exchange across KTO interfaces is discovered. Therefore, the origin of the 2DEGs at KTO-based interfaces is dramatically different from the electronic reconstruction observed at STO interfaces. More importantly, as the interface polarization grows with the higher order planes in the KTO case, the Rashba spin splitting becomes maximal for the superconducting (111) interfaces approximately twice that of the (001) interface. The larger Rashba spin splitting couples strongly to the asymmetric chiral texture of the orbital angular moment, and results mainly from the enhanced inter-orbital hopping of the t2g bands and more localized wave functions. This finding has profound implications for the search for topological superconductors, as well as the realization of efficient spin-charge interconversion for low-power spin-orbitronics based on (110) and (111) KTO interfaces. An unambiguous cation exchange is discovered across the interfaces of (001), (110), and (111) KTaO3 2D electron gases fabricated at room temperature. Remarkably, the (111) interfaces with the highest superconducting transition temperature also turn out to show the strongest electron-phonon interaction and the largest Rashba spin splitting. image  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001219658400001 Publication Date 2024-03-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0935-9648 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 29.4 Times cited Open Access  
  Notes Approved Most recent IF: 29.4; 2024 IF: 19.791  
  Call Number UA @ admin @ c:irua:206037 Serial 9152  
Permanent link to this record
 

 
Author Leinders, G.; Grendal, O.G.; Arts, I.; Bes, R.; Prozheev, I.; Orlat, S.; Fitch, A.; Kvashnina, K.; Verwerft, M. pdf  url
doi  openurl
  Title Refinement of the uranium dispersion corrections from anomalous diffraction Type A1 Journal Article
  Year 2024 Publication Journal of Applied Crystallography Abbreviated Journal J Appl Cryst  
  Volume 57 Issue 2 Pages 284-295  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract The evolution of the uranium chemical state in uranium compounds, principally in the oxides, is of concern in the context of nuclear fuel degradation under storage and repository conditions, and in accident scenarios. The U–O system shows complicated phase relations between single-valence uranium dioxide (UO<sub>2</sub>) and different mixed-valence compounds (<italic>e.g.</italic>U<sub>4</sub>O<sub>9</sub>, U<sub>3</sub>O<sub>7</sub>and U<sub>3</sub>O<sub>8</sub>). To try resolving the electronic structure associated with unique atomic positions, a combined application of diffraction and spectroscopic techniques, such as diffraction anomalous fine structure (DAFS), can be considered. Reported here is the application of two newly developed routines for assessing a DAFS data set, with the aim of refining the uranium X-ray dispersion corrections. High-resolution anomalous diffraction data were acquired from polycrystalline powder samples of UO<sub>2</sub>(containing tetravalent uranium) and potassium uranate (KUO<sub>3</sub>, containing pentavalent uranium) using synchrotron radiation in the vicinity of the U<italic>L</italic><sub>3</sub>edge (17.17 keV). Both routines are based on an iterative refinement of the dispersion corrections, but they differ in either using the intensity of a selection of reflections or doing a full-pattern (Rietveld method) refinement. The uranium dispersion corrections obtained using either method are in excellent agreement with each other, and they show in great detail the chemical shifts and differences in fine structure expected for tetravalent and pentavalent uranium. This approach may open new possibilities for the assessment of other, more complicated, materials such as mixed-valence compounds. Additionally, the DAFS methodology can offer a significant resource optimization because each data set contains both structural (diffraction) and chemical (spectroscopy) information, which can avoid the requirement to use multiple experimental stations at synchrotron sources.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001208800100008 Publication Date 2024-04-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1600-5767 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 6.1 Times cited Open Access  
  Notes FPS Economy, SF-CORMOD; Approved Most recent IF: 6.1; 2024 IF: 2.495  
  Call Number EMAT @ emat @c:irua:206011 Serial 9127  
Permanent link to this record
 

 
Author Bampouli, A.; Goris, Q.; Hussain, M.N.; Louisnard, O.; Stefanidis, G.D.; Van Gerven, T. pdf  doi
openurl 
  Title Importance of design and operating parameters in a sonication system for viscous solutions : effects of input power, horn tip diameter and reactor capacity Type A1 Journal article
  Year 2024 Publication Chemical engineering and processing Abbreviated Journal  
  Volume 198 Issue Pages 109715-12  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract This study investigates the distribution of ultrasound (US) energy in a batch system for solutions with viscosity ranging from 1 to approximately 3000 mPas. Sonication was performed using horn type configurations operating at 20-30 kHz and rated power capacity of 50 or 200 W. Two different tip diameters (3 or 7 mm) and two insertion depths (35 or 25 mm) within vessels of different sizes ( approximate to 60 or 130 ml) were utilized. Additionally, a special conical tip design was employed. For each experimental setup, the calorimetric efficiency was estimated, the cavitationally active regions were visualized using the sonochemiluminescence (SCL) method and bubble cluster formation inside the vessel was macroscopically observed using a high speed camera (HSC). In the viscosity range tested, the calorimetry results showed that the efficiency and continuous operation of the device depend on both the rated power and the horn tip diameter. The ratio between electrical and calorimetric power input remained consistently around 40 to 50% across the different configurations for water, but for the 123.2 mPas solution exhibited significant variation ranging from 40 to 85%. Moreover, the power density in the smaller reactor was found to be nearly double compared to the larger one. The SCL analysis showed multiple cavitationally active zones in all setups, and the zones intensity decreased considerably with increase of the solutions viscosity. The results for the cone tip were not conclusive, but can be used as the basis for further investigation. The current research highlights the importance of thoroughly understanding the impact of each design parameter, and of establishing characterization methodologies to assist in the future development of scaled-up, commercial applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001218630800001 Publication Date 2024-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0255-2701 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 4.3 Times cited Open Access  
  Notes Approved Most recent IF: 4.3; 2024 IF: 2.234  
  Call Number UA @ admin @ c:irua:206003 Serial 9154  
Permanent link to this record
 

 
Author Gao, Y.-J.; Jin, H.; Esteban, D.A.; Weng, B.; Saha, R.A.; Yang, M.-Q.; Bals, S.; Steele, J.A.; Huang, H.; Roeffaers, M.B.J. url  doi
openurl 
  Title 3D-cavity-confined CsPbBr₃ quantum dots for visible-light-driven photocatalytic C(sp³)-H bond activation Type A1 Journal article
  Year 2024 Publication Carbon Energy Abbreviated Journal  
  Volume Issue Pages e559  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Metal halide perovskite (MHP) quantum dots (QDs) offer immense potential for several areas of photonics research due to their easy and low-cost fabrication and excellent optoelectronic properties. However, practical applications of MHP QDs are limited by their poor stability and, in particular, their tendency to aggregate. Here, we develop a two-step double-solvent strategy to grow and confine CsPbBr3 QDs within the three-dimensional (3D) cavities of a mesoporous SBA-16 silica scaffold (CsPbBr3@SBA-16). Strong confinement and separation of the MHP QDs lead to a relatively uniform size distribution, narrow luminescence, and good ambient stability over 2 months. In addition, the CsPbBr3@SBA-16 presents a high activity and stability for visible-light-driven photocatalytic toluene C(sp(3))-H bond activation to produce benzaldehyde with similar to 730 mu mol g(-1) h(-1) yield rate and near-unity selectivity. Similarly, the structural stability of CsPbBr3@SBA-16 QDs is superior to that of both pure CsPbBr3 QDs and those confined in MCM-41 with 1D channels.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001223583600001 Publication Date 2024-05-16  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2637-9368 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:206000 Serial 9133  
Permanent link to this record
 

 
Author Chakraborty, J.; Chatterjee, A.; Molkens, K.; Nath, I.; Arenas Esteban, D.; Bourda, L.; Watson, G.; Liu, C.; Van Thourhout, D.; Bals, S.; Geiregat, P.; Van der Voort, P. pdf  url
doi  openurl
  Title Decoding Excimer Formation in Covalent–Organic Frameworks Induced by Morphology and Ring Torsion Type A1 Journal Article
  Year 2024 Publication Advanced Materials Abbreviated Journal Advanced Materials  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract A thorough and quantitative understanding of the fate of excitons in covalent–organic frameworks (COFs) after photoexcitation is essential for their augmented optoelectronic and photocatalytic applications via precise structure tuning. The synthesis of a library of COFs having identical chemical backbone with impeded conjugation, but varied morphology and surface topography to study the effect of these physical properties on the photophysics of the materials is herein reported. The variation of crystallite size and surface topography substantified different aggregation pattern in the COFs, which leads to disparities in their photoexcitation and relaxation properties. Depending on aggregation, an inverse correlation between bulk luminescence decay time and exciton binding energy of the materials is perceived. Further transient absorption spectroscopic analysis confirms the presence of highly localized, immobile, Frenkel excitons (of diameter 0.3–0.5 nm) via an absence of annihilation at high density, most likely induced by structural torsion of the COF skeletons, which in turn preferentially relaxes via long‐lived (nanosecond to microsecond) excimer formation (in femtosecond scale) over direct emission. These insights underpin the importance of structural and topological design of COFs for their targeted use in photocatalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001206226700001 Publication Date 2024-04-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0935-9648 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 29.4 Times cited Open Access  
  Notes PVDV, JC, AC, and IN acknowledge the FWO-Vlaanderen for research grant G020521N and the research board of UGent (BOF) through a Concerted Research Action (GOA010-17). JC acknowledges UGent for BOF postdoctoral grant (2022.0032.01). AC acknowledges FWO- Vlaanderen for postdoctoral grant (12T7521N). KM, DVT and PG acknowledges FWO- Vlaanderen for research grant G0B2921N. SB and DAE acknowledge financial support from ERC Consolidator Grant Number 815128 REALNANO. CHL acknowledges China Scholarship Council doctoral grant (201908110280). PVDV acknowledges Hercules Project AUGE/17/07 for the UV VIS DRS spectrometer and UGent BASBOF BOF20/BAS/015 for the powder X-Ray Diffractometer. PG thanks UGent for support of the Core Facility NOLIMITS. Approved Most recent IF: 29.4; 2024 IF: 19.791  
  Call Number EMAT @ emat @c:irua:205967 Serial 9118  
Permanent link to this record
 

 
Author Chakraborty, J.; Chatterjee, A.; Molkens, K.; Nath, I.; Arenas Esteban, D.; Bourda, L.; Watson, G.; Liu, C.; Van Thourhout, D.; Bals, S.; Geiregat, P.; Van der Voort, P. pdf  url
doi  openurl
  Title Decoding Excimer Formation in Covalent–Organic Frameworks Induced by Morphology and Ring Torsion Type A1 Journal Article
  Year 2024 Publication Advanced Materials Abbreviated Journal Advanced Materials  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract A thorough and quantitative understanding of the fate of excitons in covalent–organic frameworks (COFs) after photoexcitation is essential for their augmented optoelectronic and photocatalytic applications via precise structure tuning. The synthesis of a library of COFs having identical chemical backbone with impeded conjugation, but varied morphology and surface topography to study the effect of these physical properties on the photophysics of the materials is herein reported. The variation of crystallite size and surface topography substantified different aggregation pattern in the COFs, which leads to disparities in their photoexcitation and relaxation properties. Depending on aggregation, an inverse correlation between bulk luminescence decay time and exciton binding energy of the materials is perceived. Further transient absorption spectroscopic analysis confirms the presence of highly localized, immobile, Frenkel excitons (of diameter 0.3–0.5 nm) via an absence of annihilation at high density, most likely induced by structural torsion of the COF skeletons, which in turn preferentially relaxes via long‐lived (nanosecond to microsecond) excimer formation (in femtosecond scale) over direct emission. These insights underpin the importance of structural and topological design of COFs for their targeted use in photocatalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001206226700001 Publication Date 2024-04-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0935-9648 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 29.4 Times cited Open Access  
  Notes PVDV, JC, AC, and IN acknowledge the FWO-Vlaanderen for research grant G020521N and the research board of UGent (BOF) through a Concerted Research Action (GOA010-17). JC acknowledges UGent for BOF postdoctoral grant (2022.0032.01). AC acknowledges FWOVlaanderen for postdoctoral grant (12T7521N). KM, DVT and PG acknowledges FWOVlaanderen for research grant G0B2921N. SB and DAE acknowledge financial support from ERC Consolidator Grant Number 815128 REALNANO. CHL acknowledges China Scholarship Council doctoral grant (201908110280). PVDV acknowledges Hercules Project AUGE/17/07 for the UV VIS DRS spectrometer and UGent BASBOF BOF20/BAS/015 for the powder X-Ray Diffractometer. PG thanks UGent for support of the Core Facility NOLIMITS. Approved Most recent IF: 29.4; 2024 IF: 19.791  
  Call Number EMAT @ emat @c:irua:205967 Serial 9130  
Permanent link to this record
 

 
Author Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Pavan, G.M.; Van Aert, S.; Bals, S. doi  openurl
  Title Data for Sampling Real‐Time Atomic Dynamics in Metal Nanoparticles by Combining Experiments, Simulations, and Machine Learning Type Dataset
  Year 2024 Publication Abbreviated Journal  
  Volume Issue Pages  
  Keywords Dataset; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic‐resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state‐of‐the‐art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark‐field scanning transmission electron microscopy enables the acquisition of ten high‐resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allows resolving the real‐time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions.  
  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 (down) UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:205843 Serial 9143  
Permanent link to this record
 

 
Author Brognara, A.; Kashiwar, A.; Jung, C.; Zhang, X.; Ahmadian, A.; Gauquelin, N.; Verbeeck, J.; Djemia, P.; Faurie, D.; Dehm, G.; Idrissi, H.; Best, J.P.; Ghidelli, M. url  doi
openurl 
  Title Tailoring mechanical properties and shear band propagation in ZrCu metallic glass nanolaminates through chemical heterogeneities and interface density Type A1 Journal article
  Year 2024 Publication Small Structures Abbreviated Journal  
  Volume Issue Pages 2400011-11  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The design of high‐performance structural thin films consistently seeks to achieve a delicate equilibrium by balancing outstanding mechanical properties like yield strength, ductility, and substrate adhesion, which are often mutually exclusive. Metallic glasses (MGs) with their amorphous structure have superior strength, but usually poor ductility with catastrophic failure induced by shear bands (SBs) formation. Herein, we introduce an innovative approach by synthesizing MGs characterized by large and tunable mechanical properties, pioneering a nanoengineering design based on the control of nanoscale chemical/structural heterogeneities. This is realized through a simplified model Zr 24 Cu 76 /Zr 61 Cu 39 , fully amorphous nanocomposite with controlled nanoscale periodicity ( Λ , from 400 down to 5 nm), local chemistry, and glass–glass interfaces, while focusing in‐depth on the SB nucleation/propagation processes. The nanolaminates enable a fine control of the mechanical properties, and an onset of crack formation/percolation (>1.9 and 3.3%, respectively) far above the monolithic counterparts. Moreover, we show that SB propagation induces large chemical intermixing, enabling a brittle‐to‐ductile transition when Λ  ≤ 50 nm, reaching remarkably large plastic deformation of 16% in compression and yield strength ≈2 GPa. Overall, the nanoengineered control of local heterogeneities leads to ultimate and tunable mechanical properties opening up a new approach for strong and ductile materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2024-05-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2688-4062 ISBN Additional Links (down) UA library record  
  Impact Factor Times cited Open Access  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:205798 Serial 9176  
Permanent link to this record
 

 
Author Ignatova, K.; Vlasov, E.; Seddon, S.D.; Gauquelin, N.; Verbeeck, J.; Wermeille, D.; Bals, S.; Hase, T.P.A.; Arnalds, U.B. pdf  url
doi  openurl
  Title Phase coexistence induced surface roughness in V2O3/Ni magnetic heterostructures Type A1 Journal Article
  Year 2024 Publication APL Materials Abbreviated Journal  
  Volume 12 Issue 4 Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract We present an investigation of the microstructure changes in V2O3 as it goes through its inherent structural phase transition. Using V2O3 films with a well-defined crystal structure deposited by reactive magnetron sputtering on r-plane Al2O3 substrates, we study the phase coexistence region and its impact on the surface roughness of the films and the magnetic properties of overlying Ni magnetic layers in V2O3/Ni hybrid magnetic heterostructures. The simultaneous presence of two phases in V2O3 during its structural phase transition was identified with high resolution x-ray diffraction and led to an increase in surface roughness observed using x-ray reflectivity. The roughness reaches its maximum at the midpoint of the transition. In V2O3/Ni hybrid heterostructures, we find a concomitant increase in the coercivity of the magnetic layer correlated with the increased roughness of the V2O3 surface. The chemical homogeneity of the V2O3 is confirmed through transmission electron microscopy analysis. High-angle annular dark field imaging and electron energy loss spectroscopy reveal an atomically flat interface between Al2O3 and V2O3, as well as a sharp interface between V2O3 and Ni.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001202661800003 Publication Date 2024-04-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2166-532X ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 6.1 Times cited Open Access  
  Notes This work was supported by the funding from the University of Iceland Research Fund, the Icelandic Research Fund Grant No. 207111. Instrumentation funding from the Icelandic Infrastructure Fund is acknowledged. This work was based on experiments per- formed at the BM28 (XMaS) beamline at the European Synchrotron Radiation Facility, Grenoble, France. XMaS is a National Research Facility funded by the UK EPSRC and managed by the Universi- ties of Liverpool and Warwick. This project has received funding from the European Union’s Horizon 2020 research and innovation program under Grant Agreement No. 823717—ESTEEM3. Approved Most recent IF: 6.1; 2024 IF: 4.335  
  Call Number EMAT @ emat @c:irua:205569 Serial 9120  
Permanent link to this record
 

 
Author Poppe, R.; Roth, N.; Neder, R.B.; Palatinus, L.; Iversen, B.B.; Hadermann, J. url  doi
openurl 
  Title Refining short-range order parameters from the three-dimensional diffuse scattering in single-crystal electron diffraction data Type A1 Journal article
  Year 2024 Publication IUCrJ Abbreviated Journal  
  Volume 11 Issue 1 Pages 82-91  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Our study compares short-range order parameters refined from the diffuse scattering in single-crystal X-ray and single-crystal electron diffraction data. Nb0.84CoSb was chosen as a reference material. The correlations between neighbouring vacancies and the displacements of Sb and Co atoms were refined from the diffuse scattering using a Monte Carlo refinement in DISCUS. The difference between the Sb and Co displacements refined from the diffuse scattering and the Sb and Co displacements refined from the Bragg reflections in single-crystal X-ray diffraction data is 0.012 (7) angstrom for the refinement on diffuse scattering in single-crystal X-ray diffraction data and 0.03 (2) angstrom for the refinement on the diffuse scattering in single-crystal electron diffraction data. As electron diffraction requires much smaller crystals than X-ray diffraction, this opens up the possibility of refining short-range order parameters in many technologically relevant materials for which no crystals large enough for single-crystal X-ray diffraction are available.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001168018300012 Publication Date 2023-12-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2052-2525 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 3.9 Times cited Open Access  
  Notes Approved Most recent IF: 3.9; 2024 IF: 5.793  
  Call Number UA @ admin @ c:irua:205513 Serial 9170  
Permanent link to this record
 

 
Author Yang, C.-Q.; Yin, Z.-W.; Li, W.; Cui, W.-J.; Zhou, X.-G.; Wang, L.-D.; Zhi, R.; Xu, Y.-Y.; Tao, Z.-W.; Sang, X.; Cheng, Y.-B.; Van Tendeloo, G.; Hu, Z.-Y.; Su, B.-L. pdf  doi
openurl 
  Title Atomically deciphering the phase segregation in mixed halide perovskite Type A1 Journal article
  Year 2024 Publication Advanced functional materials Abbreviated Journal  
  Volume Issue Pages 1-10  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Mixed-halide perovskites show promising applications in tandem solar cells owing to their adjustable bandgap. One major obstacle to their commercialization is halide phase segregation, which results in large open-circuit voltage deficiency and J-V hysteresis. However, the ambiguous interplay between structural origin and phase segregation often results in aimless and unspecific optimization strategies for the device's performance and stability. An atomic scale is directly figured out the abundant Ruddlesden-Popper anti-phase boundaries (RP-APBs) within a CsPbIBr2 polycrystalline film and revealed that phase segregation predominantly occurs at RP-APB-enriched interfaces due to the defect-mediated lattice strain. By compensating their structural lead halide, such RP-APBs are eliminated, and the decreasing of strain can be observed, resulting in the suppression of halide phase segregation. The present work provides the deciphering to precisely regulate the perovskite atomic structure for achieving photo-stable mixed halide wide-bandgap perovskites of high-efficiency tandem solar cell commercial applications. The phase segregation in mixed halide perovskite film predominantly occurs at Ruddlesden-Popper anti-phase boundaries (RP-APBs)-enriched interfaces due to the defect-mediated lattice strain. The RP-APBs defects can be eliminated by compensating for their structural lead halide deficiency, resulting in the suppression of halide phase segregation. image  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001200673300001 Publication Date 2024-04-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1616-301x ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 19 Times cited Open Access  
  Notes Approved Most recent IF: 19; 2024 IF: 12.124  
  Call Number UA @ admin @ c:irua:205509 Serial 9134  
Permanent link to this record
 

 
Author Esteban, D.A.; Chamocho, E.G.; Carretero González, J.; Urones Garrote, E.; Otero Díaz, L.C.; Brande, D.Á. url  doi
openurl 
  Title Enhancing Electrochemical Properties of Walnut Shell Activated Carbon with Embedded MnO Clusters for Supercapacitor Applications Type A1 Journal Article
  Year 2024 Publication Batteries & Supercaps Abbreviated Journal Batteries &amp; Supercaps  
  Volume Issue Pages  
  Keywords A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;  
  Abstract Activated carbon (AC) materials from renewable sources are widely used in electrochemical applications due to their well‐known high surface area. However, their application as electrode material in double‐layer electrochemical devices may be limited due to their relatively low electrical conductivity and lightweight. To overcome these limitations, the incorporation of pseudocapacitance metal oxide nanoparticles is an optimum approach. These nanoparticles can provide a second energy storage mechanism to the composite, mitigating the loss of surface area associated with their incorporation. As a result, the composite material is endowed with increased conductivity and higher density, making it more suitable for practical implementation in real devices. In this study, we have incorporated a fine dispersion of 1 % of MnO clusters into a highly porous activated carbon synthesized from walnut shells (WAC). The high‐resolution electron microscopy studies, combined with their related analytical techniques, allow us to determine the presence of the cluster within the matrix carbon precisely. The resulting MnO@WAC composite demonstrated significantly improved capacitive behavior compared with the WAC material, with increased volumetric capacitance and higher charge retention at higher current densities. The composite‘s electrochemical performance suggests its potential as a promising electrode material for supercapacitors, addressing drawbacks associated with traditional AC materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001198179300001 Publication Date 2024-04-08  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2566-6223 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor Times cited Open Access  
  Notes Grants PID2020-112848RB-C21 funded by MCIN/AEI/ 10.13039/501100011033 and by the European Union PRTR funding through projects are acknowledged. Access to the ICTS- CNME for TEM is also acknowledged. Approved Most recent IF: NA  
  Call Number EMAT @ emat @c:irua:205463 Serial 9119  
Permanent link to this record
 

 
Author Cioni, M.; Delle Piane, M.; Polino, D.; Rapetti, D.; Crippa, M.; Arslan Irmak, E.; Van Aert, S.; Bals, S.; Pavan, G.M. url  doi
openurl 
  Title Sampling real-time atomic dynamics in metal nanoparticles by combining experiments, simulations, and machine learning Type A1 Journal article
  Year 2024 Publication Advanced Science Abbreviated Journal  
  Volume Issue Pages 1-13  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Even at low temperatures, metal nanoparticles (NPs) possess atomic dynamics that are key for their properties but challenging to elucidate. Recent experimental advances allow obtaining atomic-resolution snapshots of the NPs in realistic regimes, but data acquisition limitations hinder the experimental reconstruction of the atomic dynamics present within them. Molecular simulations have the advantage that these allow directly tracking the motion of atoms over time. However, these typically start from ideal/perfect NP structures and, suffering from sampling limits, provide results that are often dependent on the initial/putative structure and remain purely indicative. Here, by combining state-of-the-art experimental and computational approaches, how it is possible to tackle the limitations of both approaches and resolve the atomistic dynamics present in metal NPs in realistic conditions is demonstrated. Annular dark-field scanning transmission electron microscopy enables the acquisition of ten high-resolution images of an Au NP at intervals of 0.6 s. These are used to reconstruct atomistic 3D models of the real NP used to run ten independent molecular dynamics simulations. Machine learning analyses of the simulation trajectories allow resolving the real-time atomic dynamics present within the NP. This provides a robust combined experimental/computational approach to characterize the structural dynamics of metal NPs in realistic conditions. Experimental and computational techniques are bridged to unveil atomic dynamics in gold nanoparticles (NPs), using annular dark-field scanning transmission electron microscopy and molecular dynamics simulations informed by machine learning. The approach provides unprecedented insights into the real-time structural behaviors of NPs, merging state-of-the-art techniques to accurately characterize their dynamics under realistic conditions. image  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 001206888000001 Publication Date 2024-04-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2198-3844 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 15.1 Times cited Open Access  
  Notes Approved Most recent IF: 15.1; 2024 IF: 9.034  
  Call Number UA @ admin @ c:irua:205442 Serial 9171  
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