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Author Borah, R.; Ninakanti, R.; Nuyts, G.; Peeters, H.; Pedrazo-Tardajos, A.; Nuti, S.; Vande Velde, C.; De Wael, K.; Lenaerts, S.; Bals, S.; Verbruggen, S. pdf  url
doi  openurl
  Title Selectivity in ligand functionalization of photocatalytic metal oxide nanoparticles for phase transfer and self‐assembly applications Type A1 Journal article
  Year 2021 Publication Chemistry-A European Journal Abbreviated Journal Chem-Eur J  
  Volume Issue Pages chem.202100029-15  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Sustainable Energy, Air and Water Technology (DuEL); Intelligence in PRocesses, Advanced Catalysts and Solvents (iPRACS)  
  Abstract Functionalization of photocatalytic metal oxide nanoparticles of TiO 2 , ZnO, WO 3 and CuO with amine‐terminated (oleylamine) and thiol‐terminated (1‐dodecanethiol) alkyl chained ligands was studied under ambient conditions. A high selectivity was observed in the binding specificity of a ligand towards nanoparticles of these different oxides. It was observed that oleylamine binds stably to only TiO 2 and WO 3 , while 1‐dodecanethiol binds stably only to ZnO and CuO. Similarly, polar to non‐polar solvent phase transfer of TiO 2 and WO 3 nanoparticles could be achieved by using oleylamine, but not by 1‐dodecanethiol, while the contrary holds for ZnO and CuO. The surface chemistry of ligand functionalized nanoparticles was probed by ATR‐FTIR spectroscopy, that enabled to elucidate the occupation of the ligands at the active sites. The photo‐stability of the ligands on the nanoparticle surface was determined by the photocatalytic self‐cleaning properties of the material. While TiO 2 and WO 3 degrade the ligands within 24 hours under both UV and visible light, ligands on ZnO and CuO remain unaffected. The gathered insights are also highly relevant from an application point of view. As an example, since the ligand functionalized nanoparticles are hydrophobic in nature, they can thus be self‐assembled at the air‐water interface, for obtaining nanoparticle films with demonstrated photocatalytic as well as anti‐fogging properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000652651400001 Publication Date 2021-04-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0947-6539 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.317 Times cited 15 Open Access OpenAccess  
  Notes R.B. and S.W.V. acknowledge financial support from the University of Antwerp Special Research Fund (BOF) for a DOCPRO4 doctoral scholarship. S.B. and A.P.-T. acknowledge financial support from the European Commission under the Horizon 2020 Program by means of the grant agreement no. 731019 EUSMI and the ERC Consolidator grant no. 815128 REALNANO.; sygmaSB Approved Most recent IF: 5.317  
  Call Number UA @ admin @ c:irua:177495 Serial 6787  
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Author Kashiwar, A.; Hahn, H.; Kubel, C. url  doi
openurl 
  Title In situ TEM observation of cooperative grain rotations and the Bauschinger effect in nanocrystalline palladium Type A1 Journal article
  Year 2021 Publication Nanomaterials Abbreviated Journal Nanomaterials-Basel  
  Volume 11 Issue 2 Pages 432  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We report on cooperative grain rotation accompanied by a strong Bauschinger effect in nanocrystalline (nc) palladium thin film. A thin film of nc Pd was subjected to cyclic loading-unloading using in situ TEM nanomechanics, and the evolving microstructural characteristics were investigated with ADF-STEM imaging and quantitative ACOM-STEM analysis. ADF-STEM imaging revealed a partially reversible rotation of nanosized grains with a strong out-of-plane component during cyclic loading-unloading experiments. Sets of neighboring grains were shown to rotate cooperatively, one after the other, with increasing/decreasing strain. ACOM-STEM in conjunction with these experiments provided information on the crystallographic orientation of the rotating grains at different strain levels. Local Nye tensor analysis showed significantly different geometrically necessary dislocation (GND) density evolution within grains in close proximity, confirming a locally heterogeneous deformation response. The GND density analysis revealed the formation of dislocation pile-ups at grain boundaries (GBs), indicating the generation of back stresses during unloading. A statistical analysis of the orientation changes of individual grains showed the rotation of most grains without global texture development, which fits to both dislocation- and GB sliding-based mechanisms. Overall, our quantitative in situ experimental approach explores the roles of these different deformation mechanisms operating in nanocrystalline metals during cyclic loading.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000622951500001 Publication Date 2021-02-14  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2079-4991 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.553 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 3.553  
  Call Number UA @ admin @ c:irua:176770 Serial 6729  
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Author Chen, B.; Gauquelin, N.; Green, R.J.; Lee, J.H.; Piamonteze, C.; Spreitzer, M.; Jannis, D.; Verbeeck, J.; Bibes, M.; Huijben, M.; Rijnders, G.; Koster, G. url  doi
openurl 
  Title Spatially controlled octahedral rotations and metal-insulator transitions in nickelate superlattices Type A1 Journal article
  Year 2021 Publication Nano Letters Abbreviated Journal Nano Lett  
  Volume 21 Issue 3 Pages 1295-1302  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The properties of correlated oxides can be manipulated by forming short-period superlattices since the layer thicknesses are comparable with the typical length scales of the involved correlations and interface effects. Herein, we studied the metal-insulator transitions (MITs) in tetragonal NdNiO3/SrTiO3 superlattices by controlling the NdNiO3 layer thickness, n in the unit cell, spanning the length scale of the interfacial octahedral coupling. Scanning transmission electron microscopy reveals a crossover from a modulated octahedral superstructure at n = 8 to a uniform nontilt pattern at n = 4, accompanied by a drastically weakened insulating ground state. Upon further reducing n the predominant dimensionality effect continuously raises the MIT temperature, while leaving the antiferromagnetic transition temperature unaltered down to n = 2. Remarkably, the MIT can be enhanced by imposing a sufficiently large strain even with strongly suppressed octahedral rotations. Our results demonstrate the relevance for the control of oxide functionalities at reduced dimensions.  
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  Corporate Author Thesis  
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  Language Wos 000619638600014 Publication Date 2021-01-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.712 Times cited 19 Open Access OpenAccess  
  Notes This work is supported by the international M-ERA.NET project SIOX (project 4288). J.V. and N.G. acknowledge funding through the GOA project “Solarpaint” of the University of Antwerp. The microscope used in this work was partly funded by the Hercules Fund from the Flemish Government. D.J. acknowledges funding from FWO Project G093417N from the Flemish fund for scientific research. M.S. acknowledges funding from Slovenian Research Agency (Grants J2-9237 and P2-0091). R.J.G. acknowledges funding from the Natural Sciences and Engineering Research Council of Canada (NSERC). Part of the research described in this paper was performed at the Canadian Light Source, a national research facility of the University of Saskatchewan, which is supported by the Canada Foundation for Innovation (CFI), NSERC, the National Research Council (NRC), the Canadian Institutes of Health Research (CIHR), the Government of Saskatchewan, and the University of Saskatchewan. This work received support from the ERC CoG MINT (No. 615759) and from a PHC Van Gogh grant. M.B. thanks the French Academy of Science and the Royal Netherlands Academy of Arts and Sciences for supporting his stays in The Netherlands. This project has received funding from the European Union's Horizon 2020 research and innovation programme under grant agreement No. 823717 -ESTEEM3. Approved Most recent IF: 12.712  
  Call Number UA @ admin @ c:irua:176753 Serial 6736  
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Author Zhao, H.; Li, C.-F.; Yong, X.; Kumar, P.; Palma, B.; Hu, Z.-Y.; Van Tendeloo, G.; Siahrostami, S.; Larter, S.; Zheng, D.; Wang, S.; Chen, Z.; Kibria, M.G.; Hu, J. url  doi
openurl 
  Title Coproduction of hydrogen and lactic acid from glucose photocatalysis on band-engineered Zn1-xCdxS homojunction Type A1 Journal article
  Year 2021 Publication iScience Abbreviated Journal  
  Volume 24 Issue 2 Pages 102109  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Photocatalytic transformation of biomass into value-added chemicals coupled with co-production of hydrogen provides an explicit route to trap sunlight into the chemical bonds. Here, we demonstrate a rational design of Zn1-xCdxS solidsolution homojunction photocatalyst with a pseudo-periodic cubic zinc blende (ZB) and hexagonal wurtzite (WZ) structure for efficient glucose conversion to simultaneously produce hydrogen and lactic acid. The optimized Zn0.6Cd0.4S catalyst consists of a twinning superlattice, has a tuned bandgap, and displays excellent efficiency with respect to hydrogen generation (690 +/- 27.6 mu mol.h(-1).g(cat).(-1)), glucose conversion (similar to 90%), and lactic acid selectivity (similar to 87%) without any co-catalyst under visible light irradiation. The periodic WZ/ZB phase in twinning superlattice facilitates better charge separation, while superoxide radical (center dot O-2(-)) and photogenerated holes drive the glucose transformation and water oxidation reactions, respectively. This work demonstrates that rational photocatalyst design could realize an efficient and concomitant production of hydrogen and value-added chemicals from glucose photocatalysis.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000621266700080 Publication Date 2021-01-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2589-0042 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:176744 Serial 6720  
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Author Ejsmont, A.; Andreo, J.; Lanza, A.; Galarda, A.; Macreadie, L.; Wuttke, S.; Canossa, S.; Ploetz, E.; Goscianska, J. pdf  url
doi  openurl
  Title Applications of reticular diversity in metal-organic frameworks : an ever-evolving state of the art Type A1 Journal article
  Year 2021 Publication Coordination Chemistry Reviews Abbreviated Journal Coordin Chem Rev  
  Volume 430 Issue Pages 213655  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Metal-organic frameworks (MOFs) are exciting materials due to their extensive applicability in a multitude of modern technological fields. Their most prominent characteristic and primary origin of their widespread success is the exceptional variety of their structures, which we termed 'reticular diversity'. Naturally, the ever-emerging applications of MOFs made it increasingly common that researchers from various areas delve into reticular chemistry to overcome their scientific challenges. This confers a crucial role to comprehensive overviews capable of providing newcomers with the knowledge of the state of the art, as well as with the key physics and chemistry considerations needed to design MOFs for a specific application. In this review, we commit to this purpose by outlining the fundamental understanding needed to carefully navigate MOFs' reticular diversity in their main fields of application, namely hostguest chemistry, chemical sensing, electronics, photophysics, and catalysis. Such knowledge and a meticulous, open-minded approach to the design of MOFs paves the way for their most innovative and successful applications, and for the global advancement of the research areas they are employed in. (C) 2020 Elsevier B.V. All rights reserved.  
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  Publisher Place of Publication Editor  
  Language Wos 000615299000008 Publication Date 2020-12-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0010-8545 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.324 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 13.324  
  Call Number UA @ admin @ c:irua:176731 Serial 6715  
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Author Bahrami, F.; Hammad, M.; Fivel, M.; Huet, B.; D'Haese, C.; Ding, L.; Nysten, B.; Idrissi, H.; Raskin, J.P.; Pardoen, T. pdf  url
doi  openurl
  Title Single layer graphene controlled surface and bulk indentation plasticity in copper Type A1 Journal article
  Year 2021 Publication International Journal Of Plasticity Abbreviated Journal Int J Plasticity  
  Volume 138 Issue Pages 102936  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The impact of graphene reinforcement on the mechanical properties of metals has been a subject of intense investigation over the last decade in surface applications to mitigate the impact of tribological loadings or for strengthening purposes when dispersed into a bulk material. Here, the effect on the plastic indentation response of a single graphene layer grown on copper is analyzed for two configurations: one with graphene at the surface, the other with graphene sandwiched under a 100 nm thick copper cap layer. Nanoindentation under both displacement and load control conditions show both earlier and shorter pop-in excursions compared to systems without graphene. Atomic force microscopy reveals much smoother pile-ups with no slip traces in the presence of a surface graphene layer. The configuration with the intercalated graphene layer appears as an ideal elementary system to address bulk hardening mechanisms by indentation testing. Transmission electron microscopy (TEM) cross-sections below indents show more diffuse and homogeneous dislocation activity in the presence of graphene. 3D dislocation dynamics simulations allow unraveling of the origin of these 3D complex phenomena and prove that the collective dislocation mechanisms are dominantly controlled by the strong back stress caused by the graphene barrier. These results provide a quantitative understanding of the impact of graphene on dislocation mechanisms for both surface and bulk applications, but with an impact that is not as large as anticipated from other studies or general literature claims.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000623869800001 Publication Date 2021-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0749-6419 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.702 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 5.702  
  Call Number UA @ admin @ c:irua:176729 Serial 6735  
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Author Wu, L.; Kolmeijer, K.E.; Zhang, Y.; An, H.; Arnouts, S.; Bals, S.; Altantzis, T.; Hofmann, J.P.; Costa Figueiredo, M.; Hensen, E.J.M.; Weckhuysen, B.M.; van der Stam, W. url  doi
openurl 
  Title Stabilization effects in binary colloidal Cu and Ag nanoparticle electrodes under electrochemical CO₂ reduction conditions Type A1 Journal article
  Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 13 Issue 9 Pages 4835-4844  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract Nanoparticle modified electrodes constitute an attractive way to tailor-make efficient carbon dioxide (CO2) reduction catalysts. However, the restructuring and sintering processes of nanoparticles under electrochemical reaction conditions not only impedes the widespread application of nanoparticle catalysts, but also misleads the interpretation of the selectivity of the nanocatalysts. Here, we colloidally synthesized metallic copper (Cu) and silver (Ag) nanoparticles with a narrow size distribution (<10%) and utilized them in electrochemical CO2 reduction reactions. Monometallic Cu and Ag nanoparticle electrodes showed severe nanoparticle sintering already at low overpotential of -0.8 V vs. RHE, as evidenced by ex situ SEM investigations, and potential-dependent variations in product selectivity that resemble bulk Cu (14% for ethylene at -1.3 V vs. RHE) and Ag (69% for carbon monoxide at -1.0 V vs. RHE). However, by co-deposition of Cu and Ag nanoparticles, a nanoparticle stabilization effect was observed between Cu and Ag, and the sintering process was greatly suppressed at CO2 reducing potentials (-0.8 V vs. RHE). Furthermore, by varying the Cu/Ag nanoparticle ratio, the CO2 reduction reaction (CO2RR) selectivity towards methane (maximum of 20.6% for dense Cu-2.5-Ag-1 electrodes) and C-2 products (maximum of 15.7% for dense Cu-1-Ag-1 electrodes) can be tuned, which is attributed to a synergistic effect between neighbouring Ag and Cu nanoparticles. We attribute the stabilization of the nanoparticles to the positive enthalpies of Cu-Ag solid solutions, which prevents the dissolution-redeposition induced particle growth under CO2RR conditions. The observed nanoparticle stabilization effect enables the design and fabrication of active CO2 reduction nanocatalysts with high durability.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000628024200011 Publication Date 2021-02-22  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 24 Open Access OpenAccess  
  Notes This work is funded by the Strategic UU-TU/e Alliance project ‘Joint Centre for Chemergy Research’ (budget holder B. M. W.). S. B. acknowledges support from the European Research Council (ERC Consolidator Grant #815128 REALNANO). S. A. and T. A. acknowledge funding from the University of Antwerp Research fund (BOF). We thank Eric Hellebrand (Faculty of Geosciences, Utrecht University) for the assistance in SEM measurements. Dr Ramon Oord (ARC Chemical Building Blocks Consortium, Faculty of Science, Utrecht University) is acknowledged for assisting with the grazing incidence XRD measurements; sygma Approved Most recent IF: 7.367  
  Call Number UA @ admin @ c:irua:176723 Serial 6737  
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Author Bigiani, L.; Barreca, D.; Gasparotto, A.; Andreu, T.; Verbeeck, J.; Sada, C.; Modin, E.; Lebedev, O.I.; Morante, J.R.; Maccato, C. pdf  url
doi  openurl
  Title Selective anodes for seawater splitting via functionalization of manganese oxides by a plasma-assisted process Type A1 Journal article
  Year 2021 Publication Applied Catalysis B-Environmental Abbreviated Journal Appl Catal B-Environ  
  Volume 284 Issue Pages 119684  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The electrolysis of seawater, a significantly more abundant natural reservoir than freshwater, stands as a promising alternative for sustainable hydrogen production, provided that the competitive chloride electro-oxidation is minimized. Herein, we propose an original material combination to selectively trigger oxygen evolution from seawater at expenses of chlorine generation. The target systems, based on MnO2 or Mn2O3 decorated with Fe2O3 or Co3O4, are fabricated by plasma enhanced-chemical vapor deposition of manganese oxides, functionalization with Fe2O3 and Co3O4 by sputtering, and annealing in air/Ar to obtain Mn(IV)/Mn(III) oxides. Among the various options, MnO2 decorated with Co3O4 yields the best performances in alkaline seawater splitting, with an outstanding Tafel slope of approximate to 40 mV x dec(-1) and an overpotential of 450 mV, enabling to rule out chlorine evolution. These attractive performances, resulting from the synergistic contribution of catalytic and electronic effects, open the door to low-cost hydrogen generation from seawater under real-world conditions, paving the way to eventual large-scale applications.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000623591500008 Publication Date 2020-11-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0926-3373 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 9.446 Times cited 67 Open Access OpenAccess  
  Notes The authors thank Padova University (DOR 2017–2020 and P-DiSC #03BIRD2018-UNIPD OXYGENA projects), as well as the INSTM Consortium (INSTMPD004 – NETTUNO project) and AMGA Foundation (Mn4Energy project), for financial support. The Qu-Ant-EM microscope was partly funded by the Hercules fund from the Flemish Government. J.V. acknowledges funding from a GOA project 'Solarpaint' (University of Antwerp) and from the EU-H2020 programme (grant agreement No. 823717 – ESTEEM3). J.R.M. and T.A. acknowledge Generalitat de Catalunya for financial support through the CERCA Programme, 27 M2E (2017SGR1246) and by ERDEF-MINECO coordinated projects ENE2017-85087-C3 and ENE2016-80788-C5-5-R. Thanks are also due to Proff. Gloria Tabacchi and Ettore Fois (Department of Science and High Technology, Insubria University, Como, Italy) for valuable discussions and support. Dr. Daniele Valbusa, Dr. Gianluca Corrò, Dr. Andrea Gallo and Dr. Dileep Khrishnan are gratefully acknowledged for helpful technical assistance. Approved Most recent IF: 9.446  
  Call Number UA @ admin @ c:irua:176718 Serial 6733  
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Author Greboval, C.; Chu, A.; Vale Magalhaes, D.; Ramade, J.; Qu, J.; Rastogi, P.; Khalili, A.; Chee, S.-S.; Aubin, H.; Vincent, G.; Bals, S.; Delerue, C.; Lhuillier, E. pdf  url
doi  openurl
  Title Ferroelectric gating of narrow band-gap nanocrystal arrays with enhanced light-matter coupling Type A1 Journal article
  Year 2021 Publication Acs Photonics Abbreviated Journal Acs Photonics  
  Volume 8 Issue 1 Pages 259-268  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract As narrow band gap nanocrystals become a considerable building block for the design of infrared sensors, device design needs to match their actual operating conditions. While in the near and shortwave infrared, room-temperature operation has been demonstrated, longer wavelengths still require low-temperature operations and thus specific design. Here, we discuss how field-effect transistors (FETs) can be compatible with low-temperature detection. To reach this goal, two key developments are proposed. First, we report the gating of nanocrystal films from SrTiO3 which leads to high gate capacitance with leakage and breakdown free operation in the 4-100 K range. Second, we demonstrate that this FET is compatible with a plasmonic resonator whose role is to achieve strong light absorption from a thin film used as the channel of the FET. Combining three resonances, broadband absorption from 1.5 to 3 mu m reaching 30% is demonstrated. Finally, combining gate and enhanced light-matter coupling, we show that detectivity can be as high as 10(12) Jones for a device presenting a 3 mu m cutoff wavelength and 30 K operation.  
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  Language Wos 000612567900028 Publication Date 2021-01-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2330-4022 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.756 Times cited 21 Open Access OpenAccess  
  Notes The project is supported by ERC Starting Grant BlackQD (Grant No. 756225) and Consolidator Grant Realnano (815128). This project has received funding from the European Commission (Grant 731019, EUSMI). We acknowledge the use of clean-room facilities from the “Centrale de ProximitéParis-Centre”. This work has been supported by the Region Ile-de-France in the framework of DIM Nano-K (Grant dopQD). This work was supported by French state funds managed by the ANR within the Investissements d’Avenir programme under Reference ANR-11-IDEX-0004-02 and, more specifically, within the framework of the Cluster of Excellence MATISSE and also by the Grant IPER-Nano2 (ANR-18CE30-0023-01), Copin (ANR-19-CE24-0022), Frontal (ANR-19-CE09-0017), Graskop (ANR-19-CE09-0026), and NITQuantum. J.Q. thanks Chinese Scholarship Council for Ph.D. Grant, while A.C. thanks Agence Innovation Defense.; sygma Approved Most recent IF: 6.756  
  Call Number UA @ admin @ c:irua:176708 Serial 6725  
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Author Samaee, V.; Dupraz, M.; Pardoen, T.; VAn Swygenhoven, H.; Schryvers, D.; Idrissi, H. url  doi
openurl 
  Title Deciphering the interactions between single arm dislocation sources and coherent twin boundary in nickel bi-crystal Type A1 Journal article
  Year 2021 Publication Nature Communications Abbreviated Journal Nat Commun  
  Volume 12 Issue 1 Pages 962  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The introduction of a well-controlled population of coherent twin boundaries (CTBs) is an attractive route to improve the strength ductility product in face centered cubic (FCC) metals. However, the elementary mechanisms controlling the interaction between single arm dislocation sources (SASs), often present in nanotwinned FCC metals, and CTB are still not well understood. Here, quantitative in-situ transmission electron microscopy (TEM) observations of these mechanisms under tensile loading are performed on submicron Ni bi-crystal. We report that the absorption of curved screw dislocations at the CTB leads to the formation of constriction nodes connecting pairs of twinning dislocations at the CTB plane in agreement with large scale 3D atomistic simulations. The coordinated motion of the twinning dislocation pairs due to the presence of the nodes leads to a unique CTB sliding mechanism, which plays an important role in initiating the fracture process at a CTB ledge. TEM observations of the interactions between non-screw dislocations and the CTB highlight the importance of the synergy between the repulsive force of the CTB and the back stress from SASs when the interactions occur in small volumes. Interactions of dislocations with coherent twin boundaries contribute to strength and ductility in metals, but investigating the interaction mechanisms is challenging. Here the authors unravel these mechanisms through quantitative in-situ transmission electron microscopy observations in nickel bi-crystal samples under tensile loading.  
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  Corporate Author Thesis  
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  Language Wos 000620142700024 Publication Date 2021-02-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.124 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 12.124  
  Call Number UA @ admin @ c:irua:176680 Serial 6722  
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Author Herzog, M.J.; Gauquelin, N.; Esken, D.; Verbeeck, J.; Janek, J. url  doi
openurl 
  Title Facile dry coating method of high-nickel cathode material by nanostructured fumed alumina (Al2O3) improving the performance of lithium-ion batteries Type A1 Journal article
  Year 2021 Publication Energy technology Abbreviated Journal  
  Volume 9 Issue 4 Pages 2100028  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Surface coating is a crucial method to mitigate the aging problem of high-Ni cathode active materials (CAMs). By avoiding the direct contact of the CAM and the electrolyte, side reactions are hindered. Commonly used techniques like wet or ALD coating are time consuming and costly. Therefore, a more cost-effective coating technique is desirable. Herein, a facile and fast dry powder coating process for CAMs with nanostructured fumed metal oxides are reported. As the model case, the coating of high-Ni NMC (LiNi0.7Mn0.15Co0.15O2) by nanostructured fumed Al2O3 is investigated. A high coverage of the CAM surface with an almost continuous coating layer is achieved, still showing some porosity. Electrochemical evaluation shows a significant increase in capacity retention, cycle life and rate performance of the coated NMC material. The coating layer protects the surface of the CAM successfully and prevents side reactions, resulting in reduced solid electrolyte interface (SEI) formation and charge transfer impedance during cycling. A mechanism on how the coating layer enhances the cycling performance is hypothesized. The stable coating layer effectively prevents crack formation and particle disintegration of the NMC. In depth analysis indicates partial formation of LixAl2O3/LiAlO2 in the coating layer during cycling, enhancing lithium ion diffusivity and thus, also the rate performance.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000621000700001 Publication Date 2021-01-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2194-4296; 2194-4288 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 25 Open Access OpenAccess  
  Notes The authors would like to thank Erik Peldszus and Steve Rienecker for the support with scanning electron microscopy and X-ray photoelectron spectroscopy analysis. The Qu-Ant-EM microscope and the direct electron detector were partly funded by the Hercules fund from the Flemish Government. N.G. and J.V. acknowledge funding from GOA project “Solarpaint” of the University of Antwerp. Funding from the Flemish Research Fund (FWO) project G0F1320N is acknowledged.; Open access funding enabled and organized by Projekt DEAL. Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:176670 Serial 6724  
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Author Hendrickx, M.; Tang, Y.; Hunter, E.C.; Battle, P.D.; Hadermann, J. pdf  url
doi  openurl
  Title Structural and magnetic properties of the perovskites A₂LaFe₂SbO₉ (A = Ca, Sr, Ba) Type A1 Journal article
  Year 2021 Publication Journal Of Solid State Chemistry Abbreviated Journal J Solid State Chem  
  Volume 295 Issue Pages 121914  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Polycrystalline samples of A(2)LaFe(2)SbO(9) (A = Ca, Sr, Ba) perovskites appeared monophasic to X-ray or neutron powder diffraction but a single-crystal study utilising transmission electron microscopy revealed a greater level of complexity. Although local charge balance is maintained, compositional and structural variations are present among and within the submicron-sized crystals. Despite the inhomogeneity, A = Ca is monophasic with a partially-ordered distribution of Fe3+ and Sb5+ cations across two crystallographically-distinct octahedral sites, i.e. Ca2La(Fe1.25Sb0.25)(2d) (Fe0.75Sb0.75)(2c)O-9. For A = Sr or Ba, the inhomogeneities result in differences in the filling patterns of the octahedra and the ordering of the B cations. Particles of A = Sr contain a phase (Fe:Sb similar to 2:1) without B cation ordering and one (Fe:Sb similar to 1:1) with B cation ordering. Monophasic A = Ba lacks long-range cation order although ordered nanodomains are present within the disordered phase. The temperature dependence of the magnetic properties of each sample is discussed.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000615711800013 Publication Date 2020-12-17  
  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 Open Access OpenAccess  
  Notes Approved Most recent IF: 2.299  
  Call Number UA @ admin @ c:irua:176663 Serial 6739  
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Author Samae, V.; Cordier, P.; Demouchy, S.; Bollinger, C.; Gasc, J.; Koizumi, S.; Mussi, A.; Schryvers, D.; Idrissi, H. pdf  url
doi  openurl
  Title Stress-induced amorphization triggers deformation in the lithospheric mantle Type A1 Journal article
  Year 2021 Publication Nature Abbreviated Journal Nature  
  Volume 591 Issue 7848 Pages 82-86  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The mechanical properties of olivine-rich rocks are key to determining the mechanical coupling between Earth's lithosphere and asthenosphere. In crystalline materials, the motion of crystal defects is fundamental to plastic flow(1-4.) However, because the main constituent of olivine-rich rocks does not have enough slip systems, additional deformation mechanisms are needed to satisfy strain conditions. Experimental studies have suggested a non-Newtonian, grain-size-sensitive mechanism in olivine involving grain-boundary sliding(5,6). However, very few microstructural investigations have been conducted on grain-boundary sliding, and there is no consensus on whether a single or multiple physical mechanisms are at play. Most importantly, there are no theoretical frameworks for incorporating the mechanics of grain boundaries in polycrystalline plasticity models. Here we identify a mechanism for deformation at grain boundaries in olivine-rich rocks. We show that, in forsterite, amorphization takes place at grain boundaries under stress and that the onset of ductility of olivine-rich rocks is due to the activation of grain-boundary mobility in these amorphous layers. This mechanism could trigger plastic processes in the deep Earth, where high-stress conditions are encountered (for example, at the brittle-plastic transition). Our proposed mechanism is especially relevant at the lithosphere-asthenosphere boundary, where olivine reaches the glass transition temperature, triggering a decrease in its viscosity and thus promoting grain-boundary sliding.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000626921700014 Publication Date 2021-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0028-0836 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 40.137 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 40.137  
  Call Number UA @ admin @ c:irua:176656 Serial 6738  
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Author Li, C.-F.; Zhao, K.; Liao, X.; Hu, Z.-Y.; Zhang, L.; Zhao, Y.; Mu, S.; Li, Y.; Li, Y.; Van Tendeloo, G.; Sun, C. pdf  url
doi  openurl
  Title Interface cation migration kinetics induced oxygen release heterogeneity in layered lithium cathodes Type A1 Journal article
  Year 2021 Publication Energy Storage Materials Abbreviated Journal  
  Volume 36 Issue Pages 115-122  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The irreversible release of the lattice oxygen in layered cathodes is one of the major degradation mechanisms of lithium ion batteries, which accounts for a number of battery failures including the voltage/capacity fade, loss of cation ions and detachment of the primary particles, etc. Oxygen release is generally attributed to the stepwise thermodynamic controlled phase transitions from the layered to spinel and rock salt phases. Here, we report a strong kinetic effect from the mobility of cation ions, whose migration barrier can be significantly modulated by the phase epitaxy at the degrading interface. It ends up with a clear oxygen release heterogeneity and completely different reaction pathways between the thin and thick areas, as well as the interparticle valence boundaries, both of which widely exist in the mainstream cathode design with the secondary agglomerates. This work unveils the origin of the heterogenous oxygen release in the layered cathodes. It also sheds light on the rational design of cathode materials with enhanced oxygen stability by suppressing the cation migration.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000620584300009 Publication Date 2020-12-24  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:176654 Serial 6730  
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Author Xia, C.; Pedrazo-Tardajos, A.; Wang, D.; Meeldijk, J.D.; Gerritsen, H.C.; Bals, S.; de Donega, C.M. url  doi
openurl 
  Title Seeded growth combined with cation exchange for the synthesis of anisotropic Cu2-xS/ZnS, Cu2-xS, and CuInS2 nanorods Type A1 Journal article
  Year 2021 Publication Chemistry of materials Abbreviated Journal  
  Volume 33 Issue 1 Pages 102-116  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Colloidal copper(I) sulfide (Cu2-xS) nanocrystals (NCs) have attracted much attention for a wide range of applications because of their unique optoelectronic properties, driving scientists to explore the potential of using Cu2-xS NCs as seeds in the synthesis of heteronanocrystals to achieve new multifunctional materials. Herein, we developed a multistep synthesis strategy toward Cu2-xS/ZnS heteronanorods. The Janus-type Cu2-xS/ZnS heteronanorods are obtained by the injection of hexagonal high-chalcocite Cu2-xS seed NCs in a hot zinc oleate solution in the presence of suitable surfactants, 20 s after the injection of sulfur precursors. The Cu2-xS seed NCs undergo rapid aggregation and coalescence in the first few seconds after the injection, forming larger NCs that act as the effective seeds for heteronucleation and growth of ZnS. The ZnS heteronucleation occurs on a single (100) facet of the Cu2-xS seed NCs and is followed by fast anisotropic growth along a direction that is perpendicular to the c-axis, thus leading to Cu2-xS/ZnS Janus-type heteronanorods with a sharp heterointerface. Interestingly, the high-chalcocite crystal structure of the injected Cu2-xS seed NCs is preserved in the Cu2-xS segments of the heteronanorods because of the highthermodynamic stability of this Cu2-xS phase. The Cu2-xS/ZnS heteronanorods are subsequently converted into single-component Cu2-xS and CuInS2 nanorods by postsynthetic topotactic cation exchange. This work expands the possibilities for the rational synthesis of colloidal multicomponent heteronanorods by allowing the design principles of postsynthetic heteroepitaxial seeded growth and nanoscale cation exchange to be combined, yielding access to a plethora of multicomponent heteronanorods with diameters in the quantum confinement regime.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000610984700009 Publication Date 2020-12-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited 10 Open Access OpenAccess  
  Notes C.X. acknowledges China Scholarship Council (CSC) for the financial support (grant number 201406330055). C.d.M.D. acknowledges funding from the European Commission for access to the EMAT facilities (grant number EUSMI E180900184). D.W. acknowledges an Individual Fellowship funded by the Marie Sklodowska-Curie Actions (MSCA) in Horizon 2020 program (grant 894254 SuprAtom). S.B. acknowledges support by means of the ERC Consolidator grant no. 815128 REALNANO. The authors thank Donglong Fu for XRD measurements.; sygma Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:176587 Serial 6732  
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Author Imran, M.; Peng, L.; Pianetti, A.; Pinchetti, V.; Ramade, J.; Zito, J.; Di Stasio, F.; Buha, J.; Toso, S.; Song, J.; Infante, I.; Bals, S.; Brovelli, S.; Manna, L. url  doi
openurl 
  Title Halide perovskite-lead chalcohalide nanocrystal heterostructures Type A1 Journal article
  Year 2021 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 143 Issue 3 Pages 1435-1446  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We report the synthesis of colloidal CsPbX3-Pb4S3Br2 (X = Cl, Br, I) nanocrystal heterostructures, providing an example of a sharp and atomically resolved epitaxial interface between a metal halide perovskite and a non-perovskite lattice. The CsPbBr3-Pb4S3Br2 nanocrystals are prepared by a two-step direct synthesis using preformed subnanometer CsPbBr3 clusters. Density functional theory calculations indicate the creation of a quasi-type II alignment at the heterointerface as well as the formation of localized trap states, promoting ultrafast separation of photogenerated excitons and carrier trapping, as confirmed by spectroscopic experiments. Postsynthesis reaction with either Cl- or I- ions delivers the corresponding CsPbCI3-Pb4S3Br2 and CsPbI3-Pb4S3Br2 heterostructures, thus enabling anion exchange only in the perovskite domain. An increased structural rigidity is conferred to the perovskite lattice when it is interfaced with the chalcohalide lattice. This is attested by the improved stability of the metastable gamma phase (or “black” phase) of CsPbI3 in the CsPbI3-Pb4S3Br2 heterostructure.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000614064400024 Publication Date 2021-01-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.858 Times cited 54 Open Access OpenAccess  
  Notes This work was performed on the Dutch national e-infrastructure with the support of SURF Cooperative. L.P. and J.S. are thankful for the support by the National Key R&D Program of China (2018YFC0910600) and the National Natural Science Foundation of China (61775145). F.D.S. and S.B. acknowledge support by the European Research Council via the ERC-StG “NANOLED” (851794) and the ERC-Cog “REALNANO” (815128). The authors acknowledge financial support from the European Commission under the Horizon 2020 Programme through Grant Agreement No. 731019 (EUSMI). S.B., A.P., and V.P. gratefully acknowledge the financial support from the Italian Ministry of University and Research (MIUR) through grant “Dipartimenti di Eccellenza2017 Materials For Energy”.; sygma Approved Most recent IF: 13.858  
  Call Number UA @ admin @ c:irua:176584 Serial 6726  
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Author Saniz, R.; Bekaert, J.; Partoens, B.; Lamoen, D. pdf  url
doi  openurl
  Title First-principles study of defects at Σ3 grain boundaries in CuGaSe2 Type A1 Journal article
  Year 2021 Publication Solid State Communications Abbreviated Journal Solid State Commun  
  Volume Issue Pages 114263  
  Keywords A1 Journal article; Condensed Matter Theory (CMT); Electron microscopy for materials research (EMAT)  
  Abstract We present a first-principles computational study of cation–Se 3 (112) grain boundaries in CuGaSe. We discuss the structure of these grain boundaries, as well as the effect of native defects and Na impurities on their electronic properties. The formation energies show that the defects will tend to form preferentially at the grain boundaries, rather than in the grain interiors. We find that in Ga-rich growth conditions Cu vacancies as well as Ga at Cu and Cu at Ga antisites are mainly responsible for having the equilibrium Fermi level pinned toward the middle of the gap, resulting in carrier depletion. The Na at Cu impurity in its +1 charge state contributes to this. In Ga-poor growth conditions, on the other hand, the formation energies of Cu vacancies and Ga at Cu antisites are comparatively too high for any significant influence on carrier density or on the equilibrium Fermi level position. Thus, under these conditions, the Cu at Ga antisites give rise to a -type grain boundary. Also, their formation energy is lower than the formation energy of Na at Cu impurities. Thus, the latter will fail to act as a hole barrier preventing recombination at the grain boundary, in contrast to what occurs in CuInSe grain boundaries. We also discuss the effect of the defects on the electronic properties of bulk CuGaSe, which we assume reflect the properties of the grain interiors.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000652668500013 Publication Date 2021-03-12  
  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; WoS citing articles  
  Impact Factor 1.554 Times cited 1 Open Access OpenAccess  
  Notes Fwo; We acknowledge the financial support of FWO-Vlaanderen, Belgium through project G.0150.13. The computational resources and services used in this work were provided by the VSC (Flemish Supercomputer Center) and the HPC infrastructure of the University of Antwerp (CalcUA), both funded by FWO-Vlaanderen and the Flemish Government-department EWI. Approved Most recent IF: 1.554  
  Call Number EMAT @ emat @c:irua:176544 Serial 6703  
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Author Sanchis-Gual, R.; Susic, I.; Torres-Cavanillas, R.; Arenas-Esteban, D.; Bals, S.; Mallah, T.; Coronado-Puchau, M.; Coronado, E. url  doi
openurl 
  Title The design of magneto-plasmonic nanostructures formed by magnetic Prussian Blue-type nanocrystals decorated with Au nanoparticles Type A1 Journal article
  Year 2021 Publication Chemical Communications Abbreviated Journal Chem Commun  
  Volume 57 Issue 15 Pages 1903-1906  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We have developed a general protocol for the preparation of hybrid nanostructures formed by nanoparticles (NPs) of molecule-based magnets based on Prussian Blue Analogues (PBAs) decorated with plasmonic Au NPs of different shapes. By adjusting the pH, Au NPs can be attached preferentially along the edges of the PBA or randomly on the surface. The protocol allows tuning the plasmonic properties of the hybrids in the whole visible spectrum.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000620719300011 Publication Date 2021-01-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1359-7345 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.319 Times cited 5 Open Access OpenAccess  
  Notes European Commission, COST Action MOLSPIN CA15128 ERC Advanced Grant Mol-2D 788222 ERC Consolidator Grant REALNANO 815128 Grant Agreement No. 731019 (EUSMI) ; Ministry of Education and Science of the Russian Federation, No. 14.W03.31.0001 ; Ministerio de Ciencia, Innovación y Universidades, Maria de Maeztu CEX2019-000919-M Project MAT2017-89993-R ; Generalitat Valenciana, PROMETEO/2017/066 iDiFEDER/2018/061 ; sygma; Approved Most recent IF: 6.319  
  Call Number EMAT @ emat @c:irua:176542 Serial 6702  
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Author Lin, A.; Razzokov, J.; Verswyvel, H.; Privat-Maldonado, A.; De Backer, J.; Yusupov, M.; Cardenas De La Hoz, E.; Ponsaerts, P.; Smits, E.; Bogaerts, A. url  doi
openurl 
  Title Oxidation of Innate Immune Checkpoint CD47 on Cancer Cells with Non-Thermal Plasma Type A1 Journal article
  Year 2021 Publication Cancers Abbreviated Journal Cancers  
  Volume 13 Issue 3 Pages 579  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Laboratory for Experimental Hematology (LEH); Center for Oncological Research (CORE)  
  Abstract Non-thermal plasma (NTP) therapy has been emerging as a promising cancer treatment strategy, and recently, its ability to locally induce immunogenic cancer cell death is being unraveled. We hypothesized that the chemical species produced by NTP reduce immunosuppressive surface proteins and checkpoints that are overexpressed on cancerous cells. Here, 3D in vitro tumor models, an in vivo mouse model, and molecular dynamics simulations are used to investigate the effect of NTP on CD47, a key innate immune checkpoint. CD47 is immediately modulated after NTP treatment and simulations reveal the potential oxidized salt-bridges responsible for conformational changes. Umbrella sampling simulations of CD47 with its receptor, signal-regulatory protein alpha (SIRPα), demonstrate that the induced-conformational changes reduce its binding affinity. Taken together, this work provides new insight into fundamental, chemical NTP-cancer cell interaction mechanisms and a previously overlooked advantage of present NTP cancer therapy: reducing immunosuppressive signals on the surface of cancer cells.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000614960600001 Publication Date 2021-02-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2072-6694 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes We thank Erik Fransen (University of Antwerp; Antwerp, Belgium) for his help and guidance on the statistical analysis. Approved Most recent IF: NA  
  Call Number PLASMANT @ plasmant @c:irua:176455 Serial 6709  
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Author Chizhov, As.; Rumyantseva, Mn.; Drozdov, Ka.; Krylov, Iv.; Batuk, M.; Hadermann, J.; Filatova, Dg.; Khmelevsky, No.; Kozlovsky, Vf.; Maltseva, Ln.; Gaskov, Am. pdf  url
doi  openurl
  Title Photoresistive gas sensor based on nanocrystalline ZnO sensitized with colloidal perovskite CsPbBr3 nanocrystals Type A1 Journal article
  Year 2021 Publication Sensors And Actuators B-Chemical Abbreviated Journal Sensor Actuat B-Chem  
  Volume 329 Issue Pages 129035  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract The development of sensor materials of which gas sensitivity activates under light illumination is of great importance for the design of portable gas analyzers with low power consumption. In the present work a ZnO/CsPbBr3 nanocomposite based on nanocrystalline ZnO and colloidal cubic-shaped perovskite CsPbBr3 nanocrystals (NCs) capped by oleic acide and oleylamine was synthesized. The individual materials and obtained nanocomposite are characterized by x-ray diffraction, low-temperature nitrogen adsorption, x-ray photoelectron spectroscopy, high angle annular dark field scanning transmission electron microscopy with energy-dispersive Xray spectroscopy mapping and UV-vis absorption spectroscopy. The spectral dependence of the photoconductivity of the ZnO/CsPbBr3 nanocomposite reveals a well-defined peak that strongly correlates with the its optical absorption spectrum. The nanocomposite ZnO/CsPbBr3 shows enhanced photoresponse under visible light illumination (lambda(max) = 470 nm, 8 mW/cm(2)) in air, oxygen and argone, compared with pure nanocrystalline ZnO. Under periodic illumination in the temperature range of 25-100 degrees C, the ZnO/CsPbBr3 nanocomposite shows a sensor response to 0.5-3.0 ppm NO2, unlike pure nanocrystalline ZnO matrix, which demonstrates sensor sensitivity to NO2 under the same conditions above 100 degrees C. The effects of humidity on the sensor signal and photoresponse are also discussed.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000612060700009 Publication Date 2020-10-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0925-4005 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.401 Times cited Open Access OpenAccess  
  Notes The reported study was funded by RFBR according to the research project N◦ 18-33-01004 and in part by a grant from the St. Petersburg State University – Event 3-2018 (id: 46380300). Element mapping for sensors were supported by M.V. Lomonosov Moscow State University Program of Development (X-ray fluorescence spectrometer Tornado M4 plus). Approved Most recent IF: 5.401  
  Call Number EMAT @ emat @c:irua:176123 Serial 6707  
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Author Kamminga, M.E.; Batuk, M.; Hadermann, J.; Clarke, S.J. pdf  url
doi  openurl
  Title Misfit phase (BiSe)1.10NbSe2 as the origin of superconductivity in niobium-doped bismuth selenide Type A1 Journal article
  Year 2020 Publication Communications Materials Abbreviated Journal Commun Mater  
  Volume 1 Issue 1 Pages 82  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Topological superconductivity is of great contemporary interest and has been proposed in doped Bi<sub>2</sub>Se<sub>3</sub>, in which electron-donating atoms such as Cu, Sr or Nb have been intercalated into the Bi<sub>2</sub>Se<sub>3</sub>structure. For Nb<sub><italic>x</italic></sub>Bi<sub>2</sub>Se<sub>3</sub>, with<italic>T</italic><sub>c</sub> ~ 3 K, it is assumed in the literature that Nb is inserted in the van der Waals gap. However, in this work an alternative origin for the superconductivity in Nb-doped Bi<sub>2</sub>Se<sub>3</sub>is established. In contrast to previous reports, it is deduced that Nb intercalation in Bi<sub>2</sub>Se<sub>3</sub>does not take place. Instead, the superconducting behaviour in samples of nominal composition Nb<sub><italic>x</italic></sub>Bi<sub>2</sub>Se<sub>3</sub>results from the (BiSe)<sub>1.10</sub>NbSe<sub>2</sub>misfit phase that is present in the sample as an impurity phase for small<italic>x</italic>(0.01 ≤ <italic>x</italic> ≤ 0.10) and as a main phase for large<italic>x</italic>(<italic>x</italic> = 0.50). The structure of this misfit phase is studied in detail using a combination of X-ray diffraction and transmission electron microscopy techniques.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000610580800001 Publication Date 2020-11-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2662-4443 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor Times cited Open Access OpenAccess  
  Notes M.E.K. was supported by the Netherlands Organisation for Scientific Research (NWO, grant code 019.181EN.003). We also acknowledge support from the EPSRC (EP/ R042594/1, EP/P018874/1, EP/M020517/1) and the Leverhulme Trust (RPG-2018-377). J.H. acknowledges support from the University of Antwerp through BOF Grant No. 31445. We thank DLS Ltd for beam time (EE18786), Dr Clare Murray for assistance on I11 and Dr Jon Wade from the Department of Earth Sciences, University of Oxford for performing the SEM measurements. We also thank Dr Michal Dušak and Dr Václav Petřiček for their advice concerning the use of the Jana2006 software. Approved Most recent IF: NA  
  Call Number EMAT @ emat @c:irua:176116 Serial 6705  
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Author Ryabova, A.S.; Istomin, S.Y.; Dosaev, K.A.; Bonnefont, A.; Hadermann, J.; Arkharova, N.A.; Orekhov, A.S.; Sena, R.P.; Saveleva, V.A.; Kerangueven, G.; Antipov, E., V.; Savinova, E.R.; Tsirlina, G.A. pdf  url
doi  openurl
  Title Mn₂O₃ oxide with bixbyite structure for the electrochemical oxygen reduction reaction in alkaline media : highly active if properly manipulated Type A1 Journal article
  Year 2021 Publication Electrochimica Acta Abbreviated Journal Electrochim Acta  
  Volume 367 Issue Pages 137378  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract We consider compositional and structural factors which can affect the activity of bixbyite alpha-Mn2O3 towards the oxygen reduction reaction (ORR) and the stability of this oxide in alkaline solution. We compare electrochemistry of undoped, Fe and Al-doped alpha-Mn2O3 with bixbyite structure and braunite Mn7SiO12 having bixbyite-related crystal structure, using the rotating disk electrode (RDE), the rotating ring-disk electrode (RRDE), and cyclic voltammetry (CV) techniques. All manganese oxides under study are stable in the potential range between the ORR onset and ca. 0.7 V vs. Reversible Hydrogen Electrode (RHE). It is found that any changes introduced in the bixbyite structure and/or composition of alpha-Mn2O3 lead to an activity drop in both the oxygen reduction and hydrogen peroxide reactions in this potential interval. For the hydrogen peroxide reduction reaction these modifications also result in a change in the nature of the rate-determining step. The obtained results confirm that due to its unique crystalline structure undoped alpha-Mn2O3 is the most ORR active (among currently available) Mn oxide catalyst and favor the assumption of the key role of the (111) surface of alpha-Mn2O3 in the very high activity of this material towards the ORR. (C) 2020 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000607621500013 Publication Date 2020-10-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-4686 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.798 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 4.798  
  Call Number UA @ admin @ c:irua:176080 Serial 6731  
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Author Volykhov, A.A.; Frolov, A.S.; Neudachina, V.S.; Vladimirova, N.V.; Gerber, E.; Callaert, C.; Hadermann, J.; Khmelevsky, N.O.; Knop-Gericke, A.; Sanchez-Barriga, J.; Yashina, L.V. pdf  doi
openurl 
  Title Impact of ordering on the reactivity of mixed crystals of topological insulators with anion substitution: Bi₂SeTe₂ and Sb₂SeTe₂ Type A1 Journal article
  Year 2021 Publication Applied Surface Science Abbreviated Journal Appl Surf Sci  
  Volume 541 Issue Pages 148490  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Three-dimensional topological insulators are exotic materials with unique properties. Tetradymite type binary chalcogenides of bismuth and antimony, as well as their mixed crystals, belong to prototypical TIs. Potential device applications of these materials require in-depth knowledge of their stability in the ambient atmosphere and other media maintained during their processing. Here we investigated the reactivity of mixed crystals with anion substitution, Bi-2(Se1-xTex)(3) and Sb2(Se1-xTex)(3), towards molecular oxygen using both in situ and ex situ X-ray photoelectron spectroscopy. The results indicate that, in contrast to cation substitution, partial substitution of tellurium by selenium atoms leads to anomalously high surface reactivity, which even exceeds that of the most reactive binary constituent. We attribute this effect to anion ordering that essentially modifies the bond geometry, especially the respective bond angles as modeled by DFT.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000608492900003 Publication Date 2020-11-18  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0169-4332 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.387 Times cited Open Access Not_Open_Access  
  Notes Approved Most recent IF: 3.387  
  Call Number UA @ admin @ c:irua:176067 Serial 6728  
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Author Xu, X.; Jones, M.A.; Cassidy, S.J.; Manuel, P.; Orlandi, F.; Batuk, M.; Hadermann, J.; Clarke, S.J. pdf  url
doi  openurl
  Title Magnetic Ordering in the Layered Cr(II) Oxide Arsenides Sr2CrO2Cr2As2and Ba2CrO2Cr2As2 Type A1 Journal article
  Year 2020 Publication Inorganic Chemistry Abbreviated Journal Inorg Chem  
  Volume 59 Issue 21 Pages 15898-15912  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Sr2CrO2Cr2As2 and Ba2CrO2Cr2As2 with Cr2+ ions in CrO2 sheets and in CrAs layers crystallize with the Sr2Mn3Sb2O2 structure (space group I4/mmm, Z = 2) and lattice parameters a = 4.00800(2) Å, c = 18.8214(1) Å (Sr2CrO2Cr2As2) and a = 4.05506(2) Å, c = 20.5637(1) Å (Ba2CrO2Cr2As2) at room temperature. Powder neutron diffraction reveals checkerboard-type antiferromagnetic ordering of the Cr2+ ions in the arsenide layers below TN1Sr, of 600(10) K (Sr2CrO2Cr2As2) and TN1Ba 465(5) K (Ba2CrO2Cr2As2) with the moments initially directed perpendicular to the layers in both compounds. Checkerboard-type antiferromagnetic ordering of the Cr2+ ions in the oxide layer below 230(5) K for Ba2CrO2Cr2As2 occurs with these moments also perpendicular to the layers, consistent with the orientation preferences of d4 moments in the two layers. In contrast, below 330(5) K in Sr2CrO2Cr2As2, the oxide layer Cr2+ moments are initially oriented in the CrO2 plane; but on further cooling, these moments rotate to become perpendicular to the CrO2 planes, while the moments in the arsenide layers rotate by 90° with the moments on the two sublattices remaining orthogonal throughout [behavior recently reported independently by Liu et al. [Liu et al. Phys. Rev. B 2018, 98, 134416]]. In Sr2CrO2Cr2As2, electron diffraction and high resolution powder X-ray diffraction data show no evidence for a structural distortion that would allow the two Cr2+ sublattices to couple, but high resolution neutron powder diffraction data suggest a small incommensurability between the magnetic structure and the crystal structure, which may account for the coupling of the two sublattices and the observed spin reorientation. The saturation values of the Cr2+ moments in the CrO2 layers (3.34(1) μB (for Sr2CrO2Cr2As2) and 3.30(1) μB (for Ba2CrO2Cr2As2)) are larger than those in the CrAs layers (2.68(1) μB for Sr2CrO2Cr2As2 and 2.298(8) μB for Ba2CrO2Cr2As2) reflecting greater covalency in the arsenide layers.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000588738100035 Publication Date 2020-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0020-1669 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.6 Times cited Open Access OpenAccess  
  Notes We thank the UK EPSRC (EP/M020517/1 and EP/P018874/ 1) and the Leverhulme Trust (RPG-2014-221) for funding and the ISIS pulsed neutron and muon source (RB1610357 and RB1700075) and the Diamond Light Source Ltd. (EE13284 and EE18786) for the award of beam time. We thank Dr. A. Baker and Dr. C. Murray for support on I11. Approved Most recent IF: 4.6; 2020 IF: 4.857  
  Call Number EMAT @ emat @c:irua:176058 Serial 6704  
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Author Geerts, L.; Geerts-Claes, H.; Skorikov, A.; Vermeersch, J.; Vanbutsele, G.; Galvita, V.; Constales, D.; Chandran, C.V.; Radhakrishnan, S.; Seo, J.W.; Breynaert, E.; Bals, S.; Sree, S.P.; Martens, J.A. url  doi
openurl 
  Title Spherical core–shell alumina support particles for model platinum catalysts Type A1 Journal article
  Year 2021 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 13 Issue 7 Pages 4221-4232  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract γ- and δ-alumina are popular catalyst support materials. Using a hydrothermal synthesis method starting from aluminum nitrate and urea in diluted solution, spherical core–shell particles with a uniform particle size of about 1 μm were synthesized. Upon calcination at 1000 °C, the particles adopted a core–shell structure with a γ-alumina core and δ-alumina shell as evidenced by 2D and 3D electron microscopy and<sup>27</sup>Al magic angle spinning nuclear magnetic resonance spectroscopy. The spherical alumina particles were loaded with Pt nanoparticles with an average size below 1 nm using the strong electrostatic adsorption method. Electron microscopy and energy dispersive X-ray spectroscopy revealed a homogeneous platinum dispersion over the alumina surface. These platinum loaded alumina spheres were used as a model catalyst for bifunctional catalysis. Physical mixtures of Pt/alumina spheres and spherical zeolite particles are equivalent to catalysts with platinum deposited on the zeolite itself facilitating the investigation of the catalyst components individually. The spherical alumina particles are very convenient supports for obtaining a homogeneous distribution of highly dispersed platinum nanoparticles. Obtaining such a small Pt particle size is challenging on other support materials such as zeolites. The here reported and well-characterized Pt/alumina spheres can be combined with any zeolite and used as a bifunctional model catalyst. This is an interesting strategy for the examination of the acid catalytic function without the interference of the supported platinum metal on the investigated acid material.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000621767000026 Publication Date 2021-01-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.367 Times cited 3 Open Access OpenAccess  
  Notes Fonds Wetenschappelijk Onderzoek, G0A5417N G038116N ; Vlaamse regering, Methusalem ; Hercules Foundation, AKUL/13/19 ; Approved Most recent IF: 7.367  
  Call Number EMAT @ emat @c:irua:176021 Serial 6679  
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Author De Meyer, R.; Albrecht, W.; Bals, S. pdf  url
doi  openurl
  Title Effectiveness of reducing the influence of CTAB at the surface of metal nanoparticles during in situ heating studies by TEM Type A1 Journal article
  Year 2021 Publication Micron Abbreviated Journal Micron  
  Volume 144 Issue Pages 103036  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract In situ TEM is a valuable technique to offer novel insights in the behavior of nanomaterials under various conditions. However, interpretation of in situ experiments is not straightforward since the electron beam can impact the outcome of such measurements. For example, ligands surrounding metal nanoparticles transform into a protective carbon layer upon electron beam irradiation and may impact the apparent thermal stability during in situ heating experiments. In this work, we explore the effect of different treatments typically proposed to remove such ligands. We found that plasma treatment prior to heating experiments for Au nanorods and nanostars increased the apparent thermal stability of the nanoparticles, while an activated carbon treatment resulted in a decrease of the observed thermal stability. Treatment with HCl barely changed the experimental outcome. These results demonstrate the importance of carefully selecting pre-treatments procedures during in situ heating experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000632282600002 Publication Date 2021-02-19  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0968-4328 ISBN Additional Links (down) UA library record; WoS full record  
  Impact Factor 1.98 Times cited Open Access OpenAccess  
  Notes H2020; European Research Council; This work was supported by the European Union’s Horizon 2020 research and innovation program [grant agreement No 823717 (ESTEEM3) and No 815128 (REALNANO)]; We acknowledge Prof. Luis M. Liz-Marzán and co-workers of the Bionanoplasmonics Laboratory, CICbiomaGUNE, Spain for providing the Au nanoparticles.; sygma; esteem3jra; esteem3reported Approved Most recent IF: 1.98  
  Call Number EMAT @ emat @c:irua:175874 Serial 6677  
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Author Bagiński, M.; Pedrazo-Tardajos, A.; Altantzis, T.; Tupikowska, M.; Vetter, A.; Tomczyk, E.; Suryadharma, R.N.S.; Pawlak, M.; Andruszkiewicz, A.; Górecka, E.; Pociecha, D.; Rockstuhl, C.; Bals, S.; Lewandowski, W. url  doi
openurl 
  Title Understanding and Controlling the Crystallization Process in Reconfigurable Plasmonic Superlattices Type A1 Journal article
  Year 2021 Publication Acs Nano Abbreviated Journal Acs Nano  
  Volume Issue Pages acsnano.0c09746  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Applied Electrochemistry & Catalysis (ELCAT)  
  Abstract The crystallization of nanomaterials is a primary source of solid-state, photonic structures. Thus, a detailed understanding of this process is of paramount importance for the successful application of photonic nanomaterials in emerging optoelectronic technologies. While colloidal crystallization has been thoroughly studied, for example, with advanced in situ electron microscopy methods, the noncolloidal crystallization (freezing) of nanoparticles (NPs) remains so far unexplored. To fill this gap, in this work, we present proof-of principle experiments decoding a crystallization of reconfigurable assemblies of NPs at a solid state. The chosen material corresponds to an excellent testing bed, as it enables both in situ and ex situ investigation using X-ray diffraction (XRD), transmission electron microscopy (TEM), high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM), atomic force microscopy (AFM), and optical spectroscopy in visible and ultraviolet range (UV−vis) techniques. In particular, ensemble measurements with small-angle XRD highlighted the dependence of the correlation length in the NPs assemblies on the number of heating/cooling cycles and the rate of cooling. Ex situ TEM imaging further supported these results by revealing a dependence of domain size and structure on the sample preparation route and by showing we can control the domain size over 2 orders of magnitude. The application of HAADF-STEM tomography, combined with in situ thermal control, provided three-dimensional single-particle level information on the positional order evolution within assemblies. This combination of real and reciprocal space provides insightful information on the anisotropic, reversibly reconfigurable assemblies of NPs. TEM measurements also highlighted the importance of interfaces in the polydomain structure of nanoparticle solids, allowing us to understand experimentally observed differences in UV−vis extinction spectra of the differently prepared crystallites. Overall, the obtained results show that the combination of in situ heating HAADF-STEM tomography with XRD and ex situ TEM techniques is a powerful approach to study nanoparticle freezing processes and to reveal the crucial impact of disorder in the solid-state aggregates of NPs on their plasmonic properties.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000634569100101 Publication Date 2021-02-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.942 Times cited 10 Open Access OpenAccess  
  Notes Ministerstwo Nauki i Szkolnictwa Wyzszego, 0112/DIA/2019/48 ; European Commission, 731019 E171000009 (EUSMI) ; Narodowe Centrum Nauki, 2016/21/N/ST5/03356 ; Deutsche Forschungsgemeinschaft, RO 3640/12-1 ; Fundacja na rzecz Nauki Polskiej, First TEAM2016–2/15 ; European Research Council, 815128 (REALNANO) ; sygma; Approved Most recent IF: 13.942  
  Call Number EMAT @ emat @c:irua:175872 Serial 6673  
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Author Frolov, A.S.; Sanchez-Barriga, J.; Callaert, C.; Hadermann, J.; Fedorov, A., V; Usachov, D.Y.; Chaika, A.N.; Walls, B.C.; Zhussupbekov, K.; Shvets, I., V.; Muntwiler, M.; Amati, M.; Gregoratti, L.; Varykhalov, A.Y.; Rader, O.; Yashina, L., V. pdf  url
doi  openurl
  Title Atomic and electronic structure of a multidomain GeTe crystal Type A1 Journal article
  Year 2020 Publication Acs Nano Abbreviated Journal Acs Nano  
  Volume 14 Issue 12 Pages 16576-16589  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Renewed interest in the ferroelectric semi-conductor germanium telluride was recently triggered by the direct observation of a giant Rashba effect and a 30-year-old dream about a functional spin field-effect transistor. In this respect, all-electrical control of the spin texture in this material in combination with ferroelectric properties at the nanoscale would create advanced functionalities in spintronics and data information processing. Here, we investigate the atomic and electronic properties of GeTe bulk single crystals and their (111) surfaces. We succeeded in growing crystals possessing solely inversion domains of similar to 10 nm thickness parallel to each other. Using HAADF-TEM we observe two types of domain boundaries, one of them being similar in structure to the van der Waals gap in layered materials. This structure is responsible for the formation of surface domains with preferential Te-termination (similar to 68%) as we determined using photoelectron diffraction and XPS. The lateral dimensions of the surface domains are in the range of similar to 10-100 nm, and both Ge- and Te-terminations reveal no reconstruction. Using spin-ARPES we establish an intrinsic quantitative relationship between the spin polarization of pure bulk states and the relative contribution of different terminations, a result that is consistent with a reversal of the spin texture of the bulk Rashba bands for opposite configurations of the ferroelectric polarization within individual nanodomains. Our findings are important for potential applications of ferroelectric Rashba semiconductors in nonvolatile spintronic devices with advanced memory and computing capabilities at the nanoscale.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000603308800022 Publication Date 2020-11-02  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.1 Times cited Open Access OpenAccess  
  Notes Approved Most recent IF: 17.1; 2020 IF: 13.942  
  Call Number UA @ admin @ c:irua:175027 Serial 6716  
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Author Milovanović, S.P.; Andelkovic, M.; Covaci, L.; Peeters, F.M. url  doi
openurl 
  Title Band flattening in buckled monolayer graphene Type A1 Journal article
  Year 2020 Publication Physical Review B Abbreviated Journal Phys Rev B  
  Volume 102 Issue 24 Pages 245427  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract The strain fields of periodically buckled graphene induce a periodic pseudomagnetic field (PMF) that modifies the electronic band structure. From the geometry, amplitude, and period of the periodic pseudomagnetic field, we determine the necessary conditions to access the regime of correlated phases by examining the band flattening. As compared to twisted bilayer graphene the proposed system has the advantages that (1) only a single layer of graphene is needed, (2) one is not limited to hexagonal superlattices, and (3) narrower flat bandwidth and larger separation between flat bands can be induced. We, therefore, propose that periodically strained graphene single layers can become a platform for the exploration of exotic many-body phases.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000602844600007 Publication Date 2020-12-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2469-9969; 2469-9950 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 27 Open Access OpenAccess  
  Notes ; S.P.M. is supported by the Flemish Science Foundation (FWO). We thank E. Y. Andrei, Y. Jiang, and J. Mao for fruitful discussions. ; Approved Most recent IF: 3.7; 2020 IF: 3.836  
  Call Number UA @ admin @ c:irua:175021 Serial 6684  
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Author Pandey, T.; Covaci, L.; Peeters, F.M. pdf  url
doi  openurl
  Title Tuning flexoelectricty and electronic properties of zig-zag graphene nanoribbons by functionalization Type A1 Journal article
  Year 2021 Publication Carbon Abbreviated Journal Carbon  
  Volume 171 Issue Pages 551-559  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract The flexoelectric and electronic properties of zig-zag graphene nanoribbons are explored under mechanical bending using state of the art first principles calculations. A linear dependence of the bending induced out of plane polarization on the applied strain gradient is found. The inferior flexoelectric properties of graphene nanoribbons can be improved by more than two orders of magnitude by hydrogen and fluorine functionalization (CH and CF nanoribbons). A large out of plane flexoelectric effect is predicted for CF nanoribbons. The origin of this enhancement lies in the electro-negativity difference between carbon and fluorine atoms, which breaks the out of plane charge symmetry even for a small strain gradient. The flexoelectric effect can be further improved by co-functionalization with hydrogen and fluorine (CHF Janus-type nanoribbon), where a spontaneous out of plane dipole moment is formed even for flat nanoribbons. We also find that bending can control the charge localization of valence band maxima and therefore enables the tuning of the hole effective masses and band gaps. These results present an important advance towards the understanding of flexoelectric and electronic properties of hydrogen and fluorine functionalized graphene nanoribbons, which can have important implications for flexible electronic applications. (C) 2020 Elsevier Ltd. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000598371500058 Publication Date 2020-09-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0008-6223 ISBN Additional Links (down) UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.337 Times cited 15 Open Access OpenAccess  
  Notes ; The computational resources and services used for the first-principles calculations in this work were provided by the VSC (Flemish Supercomputer Center), funded by the Flemish Science Foundation (FWO-VI). T. P. is supported by a postdoctoral research fellowship from BOF-UAntwerpen. ; Approved Most recent IF: 6.337  
  Call Number UA @ admin @ c:irua:175014 Serial 6700  
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