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Author Vanhellemont, J.; Romano-Rodriguez, A.; Fedina, L.; van Landuyt, J.; Aseev, A.
Title Point defect reactions in silicon studies in situ by high flux electron irradiation in high voltage transmission electron microscope Type A3 Journal article
Year 1995 Publication Materials science and technology Abbreviated Journal (down)
Volume 11 Issue Pages 1194-1204
Keywords A3 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1995TQ95100016 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 7 Open Access
Notes Approved no
Call Number UA @ lucian @ c:irua:13297 Serial 2655
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Author Hellmuth, K.H.; Siitari-Kaupi, M.; Rauhala, E.; Johansson, B.; Zilliacus, R.; Gijbels, R.; Adriaens, A.
Title Reactions of high FeO-olivine rock with groundwater and redox-sensitive elements studied by surface-analytical methods and autoradiography Type P1 Proceeding
Year 1994 Publication Materials Research Society symposium proceedings Abbreviated Journal (down)
Volume 333 Issue Pages 947-953
Keywords P1 Proceeding; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Wuhan Editor
Language Wos A1994BA13E00112 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0272-9172 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 6 Open Access
Notes Approved
Call Number UA @ lucian @ c:irua:8939 Serial 2821
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Author Tanner, L.E.; Shapiro, S.M.; Schryvers, D.; Noda, Y.
Title Review of phonon behaviour and microstructural development leading to martensitic transformations in NixAl100-x alloys Type A3 Journal article
Year 1992 Publication Shape memory materials and phenomena: fundamental aspects and applications Abbreviated Journal (down)
Volume 246 Issue Pages 265-276
Keywords A3 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos A1992BW94E00038 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes Approved MATERIALS SCIENCE, MULTIDISCIPLINARY 96/271 Q2 #
Call Number UA @ lucian @ c:irua:4368 Serial 2904
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Author Peeters, F.M.
Title Tuning of energy levels in a superlattice Type P1 Proceeding
Year 1994 Publication Materials Research Society symposium proceedings Abbreviated Journal (down)
Volume 325 Issue Pages 471-480
Keywords P1 Proceeding; Condensed Matter Theory (CMT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Wuhan Editor
Language Wos A1994BA45Z00064 Publication Date 0000-00-00
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0272-9172 ISBN Additional Links UA library record; WoS full record;
Impact Factor Times cited Open Access
Notes Approved COMPUTER SCIENCE, INTERDISCIPLINARY 11/104 Q1 # PHYSICS, MATHEMATICAL 1/53 Q1 #
Call Number UA @ lucian @ c:irua:9381 Serial 3751
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Author Zhang, B.; Deschamps, M.; Ammar, M.-R.; Raymundo-Pinero, E.; Hennet, L.; Batuk, D.; Tarascon, J.-M.
Title Laser synthesis of hard carbon for anodes in Na-ion battery Type A1 Journal article
Year 2017 Publication Advanced Materials Technologies Abbreviated Journal (down)
Volume 2 Issue 3 Pages 1600227
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000398999900003 Publication Date 2016-12-19
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2365-709x ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 10 Open Access Not_Open_Access
Notes ; The RS2E (Reseau sur le StockageElectrochimique de l'Energie) network is acknowledged for the financial support of this work through the ANR project Storex (ANR-10-LABX-76-01). J.-M.T acknowledges funding from the European Research Council (ERC) (FP/2014-2020)/ERC GrantProject 670116-ARPEMA. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:142452 Serial 4666
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Author De Clercq, M.; Moors, K.; Sankaran, K.; Pourtois, G.; Dutta, S.; Adelmann, C.; Magnus, W.; Sorée, B.
Title Resistivity scaling model for metals with conduction band anisotropy Type A1 Journal article
Year 2018 Publication Physical review materials Abbreviated Journal (down)
Volume 2 Issue 3 Pages 033801
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract It is generally understood that the resistivity of metal thin films scales with film thickness mainly due to grain boundary and boundary surface scattering. Recently, several experiments and ab initio simulations have demonstrated the impact of crystal orientation on resistivity scaling. The crystal orientation cannot be captured by the commonly used resistivity scaling models and a qualitative understanding of its impact is currently lacking. In this work, we derive a resistivity scaling model that captures grain boundary and boundary surface scattering as well as the anisotropy of the band structure. The model is applied to Cu and Ru thin films, whose conduction bands are (quasi-) isotropic and anisotropic, respectively. After calibrating the anisotropy with ab initio simulations, the resistivity scaling models are compared to experimental resistivity data and a renormalization of the fitted grain boundary reflection coefficient can be identified for textured Ru.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication College Park, Md Editor
Language Wos 000426787600001 Publication Date 2018-03-07
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes ; The authors acknowledge the support by the Fonds National de la Recherche Luxembourg (ATTRACT Grant No. 7556175). ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:149866UA @ admin @ c:irua:149866 Serial 4947
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Author Andelkovic, M.; Covaci, L.; Peeters, F.M.
Title DC conductivity of twisted bilayer graphene: Angle-dependent transport properties and effects of disorder Type A1 Journal article
Year 2018 Publication Physical review materials Abbreviated Journal (down)
Volume 2 Issue 3 Pages 034004
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The in-plane dc conductivity of twisted bilayer graphene is calculated using an expansion of the real-space Kubo-Bastin conductivity in terms of Chebyshev polynomials. We investigate within a tight-binding approach the transport properties as a function of rotation angle, applied perpendicular electric field, and vacancy disorder. We find that for high-angle twists, the two layers are effectively decoupled, and the minimum conductivity at the Dirac point corresponds to double the value observed in monolayer graphene. This remains valid even in the presence of vacancies, hinting that chiral symmetry is still preserved. On the contrary, for low twist angles, the conductivity at the Dirac point depends on the twist angle and is not protected in the presence of disorder. Furthermore, for low angles and in the presence of an applied electric field, we find that the chiral boundary states emerging between AB and BA regions contribute to the dc conductivity, despite the appearance of localized states in the AA regions. The results agree qualitatively with recent transport experiments in low-angle twisted bilayer graphene.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication College Park, Md Editor
Language Wos 000427822700002 Publication Date 2018-03-20
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 27 Open Access
Notes ; We acknowledge financial support from the graphene FLAG-ERA project TRANS2DTMD. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:150838UA @ admin @ c:irua:150838 Serial 4964
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Author Zhang, H.; Gauquelin, N.; McMahon, C.; Hawthorn, D.G.; Botton, G.A.; Wei, J.Y.T.
Title Synthesis of high-oxidation Y-Ba-Cu-O phases in superoxygenated thin films Type A1 Journal article
Year 2018 Publication Physical review materials Abbreviated Journal (down)
Volume 2 Issue 3 Pages 033803
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract It is known that solid-state reaction in high-pressure oxygen can stabilize high-oxidation phases of Y-Ba-Cu-O superconductors in powder form. We extend this superoxygenation concept of synthesis to thin films which, due to their large surface-to-volume ratio, are more reactive thermodynamically. Epitaxial thin films of YBa2Cu3O7-delta grown by pulsed laser deposition are annealed at up to 700 atm O-2 and 900 degrees C, in conjunction with Cu enrichment by solid-state diffusion. The films show the clear formation of Y2Ba4Cu7O15-delta and Y2Ba4Cu8O16 as well as regions of YBa2Cu5O9-delta and YBa2Cu6O10-delta phases, according to scanning transmission electron microscopy, x-ray diffraction, and x-ray absorption spectroscopy. Similarly annealed YBa2Cu3O7-delta powders show no phase conversion. Our results demonstrate a route of synthesis towards discovering more complex phases of cuprates and other superconducting oxides.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication College Park, Md Editor
Language Wos 000428244900004 Publication Date 2018-03-26
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access Not_Open_Access
Notes ; This work is supported by NSERC, CFI-OIT, and CIFAR. The electron microscopy work was carried out at the Canadian Centre for Electron Microscopy, a National Facility supported by the Canada Foundation for Innovation under the Major Science Initiative program, McMaster University, and NSERC. The XAS work was performed at the Canadian Light Source, which is supported by NSERC, NRC, CIHR, and the University of Saskatchewan. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:150829 Serial 4982
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Author Kalashami, H.G.; Neek-Amal, M.; Peeters, F.M.
Title Slippage dynamics of confined water in graphene oxide capillaries Type A1 Journal article
Year 2018 Publication Physical review materials Abbreviated Journal (down)
Volume 2 Issue 7 Pages 074004
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The permeation of water between neighboring graphene oxide (GO) flakes, i.e., 2D nanochannels, are investigated using a simple model for the GO membrane. We simulate the hydrophilic behavior of nanocapillaries and study the effect of surface charge on the dynamical properties of water flow and the influence of Na+ and Cl- ions on water permeation. Our approach is based on extensive equilibrium molecular dynamics simulations to obtain a better understanding of water permeation through charged nanochannels in the presence of ions. We found significant change in the slippage dynamics of confined water such as a profound increase in viscosity/slip length with increasing charges over the surface. The slip length decreases one order of magnitude (i.e., 1/30) with increasing density of surface charge, while it increases by a factor of 2 with ion concentration. We found that commensurability induced by nanoconfinement plays an important role on the intrinsic dynamical properties of water.
Address
Corporate Author Thesis
Publisher American Physical Society Place of Publication College Park, Md Editor
Language Wos 000439435200006 Publication Date 2018-07-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes ; We acknowledge fruitful discussions with Andre K. Geim, Irina Grigorieva, and Rahul R. Nair. This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program. ; Approved Most recent IF: NA
Call Number UA @ lucian @ c:irua:152409UA @ admin @ c:irua:152409 Serial 5128
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Author Marikutsa, A.; Rumyantseva, M.; Gaskov, A.; Batuk, M.; Hadermann, J.; Sarmadian, N.; Saniz, R.; Partoens, B.; Lamoen, D.
Title Effect of zinc oxide modification by indium oxide on microstructure, adsorbed surface species, and sensitivity to CO Type A1 Journal article
Year 2019 Publication Frontiers in materials Abbreviated Journal (down)
Volume 6 Issue 6 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)
Abstract Additives in semiconductor metal oxides are commonly used to improve sensing behavior of gas sensors. Due to complicated effects of additives on the materials microstructure, adsorption sites and reactivity to target gases the sensing mechanism with modified metal oxides is a matter of thorough research. Herein, we establish the promoting effect of nanocrystalline zinc oxide modification by 1-7 at.% of indium on the sensitivity to CO gas due to improved nanostructure dispersion and concentration of active sites. The sensing materials were synthesized via an aqueous coprecipitation route. Materials composition, particle size and BET area were evaluated using X-ray diffraction, nitrogen adsorption isotherms, high-resolution electron microscopy techniques and EDX-mapping. Surface species of chemisorbed oxygen, OH-groups, and acid sites were characterized by probe molecule techniques and infrared spectroscopy. It was found that particle size of zinc oxide decreased and the BET area increased with the amount of indium oxide. The additive was observed as amorphous indium oxide segregated on agglomerated ZnO nanocrystals. The measured concentration of surface species was higher on In2O3-modified zinc oxide. With the increase of indium oxide content, the sensor response of ZnO/In2O3 to CO was improved. Using in situ infrared spectroscopy, it was shown that oxidation of CO molecules was enhanced on the modified zinc oxide surface. The effect of modifier was attributed to promotion of surface OH-groups and enhancement of CO oxidation on the segregated indium ions, as suggested by DFT in previous work.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000461540600001 Publication Date 2019-03-15
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2296-8016 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 11 Open Access OpenAccess
Notes ; Research was supported by the grant from Russian Science Foundation (project No. 18-73-00071). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:158540 Serial 5205
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Author Moors, K.; Contino, A.; Van de Put, M.L.; Vandenberghe, W.G.; Fischetti, M., V; Magnus, W.; Sorée, B.
Title Theoretical study of scattering in graphene ribbons in the presence of structural and atomistic edge roughness Type A1 Journal article
Year 2019 Publication Physical review materials Abbreviated Journal (down)
Volume 3 Issue 2 Pages 024001
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract We investigate the diffusive electron-transport properties of charge-doped graphene ribbons and nanoribbons with imperfect edges. We consider different regimes of edge scattering, ranging from wide graphene ribbons with (partially) diffusive edge scattering to ribbons with large width variations and nanoribbons with atomistic edge roughness. For the latter, we introduce an approach based on pseudopotentials, allowing for an atomistic treatment of the band structure and the scattering potential, on the self-consistent solution of the Boltzmann transport equation within the relaxation-time approximation and taking into account the edge-roughness properties and statistics. The resulting resistivity depends strongly on the ribbon orientation, with zigzag (armchair) ribbons showing the smallest (largest) resistivity and intermediate ribbon orientations exhibiting intermediate resistivity values. The results also show clear resistivity peaks, corresponding to peaks in the density of states due to the confinement-induced subband quantization, except for armchair-edge ribbons that show a very strong width dependence because of their claromatic behavior. Furthermore, we identify a strong interplay between the relative position of the two valleys of graphene along the transport direction, the correlation profile of the atomistic edge roughness, and the chiral valley modes, leading to a peculiar strongly suppressed resistivity regime, most pronounced for the zigzag orientation.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000458161800001 Publication Date 2019-02-06
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2475-9953 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access
Notes ; We acknowledge the Research Foundation – Flanders (FWO) for supporting K.M.'s research visit at the University of Texas at Dallas, as well as the support by the National Research Fund Luxembourg (FNR) with ATTRACT Grant No. 7556175. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:157499 Serial 5235
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Author Hadermann, J.; Palatinus, L.
Title Introducton to the special issue on electron crystallography Type Editorial
Year 2019 Publication And Materials Abbreviated Journal (down)
Volume 75 Issue 4 Pages 462-462
Keywords Editorial; Electron microscopy for materials research (EMAT)
Abstract
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000480512600028 Publication Date 2019-08-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161845 Serial 5389
Permanent link to this record
 

 
Author Chizhov, A.; Vasiliev, R.; Rumyantseva, M.; Krylov, I.; Drozdov, K.; Batuk, M.; Hadermann, J.; Abakumov, A.; Gaskov, A.
Title Light-activated sub-ppm NO2 detection by hybrid ZnO/QD nanomaterials vs. charge localization in core-shell QD Type A1 Journal article
Year 2019 Publication Frontiers in materials Abbreviated Journal (down)
Volume 6 Issue 6 Pages
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract New hybrid materials-photosensitized nanocomposites containing nanocrystal heterostructures with spatial charge separation, show high response for practically important sub-ppm level NO2 detection at room temperature. Nanocomposites ZnO/CdSe, ZnO/(CdS@CdSe), and ZnO/(ZnSe@CdS) were obtained by the immobilization of nanocrystals-colloidal quantum dots (QDs), on the matrix of nanocrystalline ZnO. The formation of crystalline core-shell structure of QDs was confirmed by HAADF-STEM coupled with EELS mapping. Optical properties of photosensitizers have been investigated by optical absorption and luminescence spectroscopy combined with spectral dependences of photoconductivity, which proved different charge localization regimes. Photoelectrical and gas sensor properties of nanocomposites have been studied at room temperature under green light (max = 535 nm) illumination in the presence of 0.12-2 ppm NO2 in air. It has been demonstrated that sensitization with type II heterostructure ZnSe@CdS with staggered gap provides the rapid growth of effective photoresponse with the increase in the NO2 concentration in air and the highest sensor sensitivity toward NO2. We believe that the use of core-shell QDs with spatial charge separation opens new possibilities in the development of light-activated gas sensors working without thermal heating.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000487641600002 Publication Date 2019-09-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2296-8016 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 1 Open Access
Notes ; This work was financially supported by RFBR grant No. 1653-76001 (RFBR – ERA.Net FONSENS 096) and in part by a grant from the St. Petersburg State University – Event 3-2018 (id: 26520408). AC acknowledges support from the RFBR grant No. 18-33-01004. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:163776 Serial 5390
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Author Crippa, F.; Rodriguez-Lorenzo, L.; Hua, X.; Goris, B.; Bals, S.; Garitaonandia, J.S.; Balog, S.; Burnand, D.; Hirt, A.M.; Haeni, L.; Lattuada, M.; Rothen-Rutishauser, B.; Petri-Fink, A.
Title Phase transformation of superparamagnetic iron oxide nanoparticles via thermal annealing : implications for hyperthermia applications Type A1 Journal article
Year 2019 Publication ACS applied nano materials Abbreviated Journal (down)
Volume 2 Issue 2 Pages 4462-4470
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Magnetic hyperthermia has the potential to play an important role in cancer therapy and its efficacy relies on the nanomaterials selected. Superparamagnetic iron oxide nanoparticles (SPIONs) are excellent candidates due to the ability of producing enough heat to kill tumor cells by thermal ablation. However, their heating properties depend strongly on crystalline structure and size, which may not be controlled and tuned during the synthetic process; therefore, a postprocessing is needed. We show how thermal annealing can be simultaneously coupled with ligand exchange to stabilize the SPIONs in polar solvents and to modify their crystal structure, which improves hyperthermia behavior. Using high-resolution transmission electron microscopy, X-ray diffraction, Mossbauer spectroscopy, vibrating sample magnetometry, and lock-in thermography, we systematically investigate the impact of size and ligand exchange procedure on crystallinity, their magnetism, and heating ability. We describe a valid and simple approach to optimize SPIONs for hyperthermia by carefully controlling the size, colloidal stability, and crystallinity.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000477917700048 Publication Date 2019-06-27
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 18 Open Access Not_Open_Access
Notes ; This work was supported by the Swiss National Science Foundation through the National Center of Competence in Research Bio-Inspired Materials, the Adolphe Merkle Foundation, the University of Fribourg, and the European Society for Molecular Imaging (Grant E141200643). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161927 Serial 5393
Permanent link to this record
 

 
Author Hadermann, J.; Abakumov, A.M.
Title Structure solution and refinement of metal-ion battery cathode materials using electron diffraction tomography Type A1 Journal article
Year 2019 Publication And Materials Abbreviated Journal (down)
Volume 75 Issue 4 Pages 485-494
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract The applicability of electron diffraction tomography to the structure solution and refinement of charged, discharged or cycled metal-ion battery positive electrode (cathode) materials is discussed in detail. As these materials are often only available in very small amounts as powders, the possibility of obtaining single-crystal data using electron diffraction tomography (EDT) provides unique access to crucial information complementary to X-ray diffraction, neutron diffraction and high-resolution transmission electron microscopy techniques. Using several examples, the ability of EDT to be used to detect lithium and refine its atomic position and occupancy, to solve the structure of materials ex situ at different states of charge and to obtain in situ data on structural changes occurring upon electrochemical cycling in liquid electrolyte is discussed.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000480512600002 Publication Date 2019-08-05
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access
Notes ; The following funding is acknowledged: Fonds Wetenschappelijk Onderzoek (grant No. G040116N); Russian Foundation of Basic Research (grant No. 17-03-00370-a). ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:161846 Serial 5397
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Author Horemans, B.; Schalm, O.; De Wael, K.; Cardell, C.; Van Grieken, R.
Title Atmospheric composition and micro-climate in the Alhambra monument, Granada (Spain), in the context of preventive conservation Type P1 Proceeding
Year 2012 Publication IOP conference series : materials science and engineering Abbreviated Journal (down)
Volume 37 Issue Pages 012002-12008
Keywords P1 Proceeding; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The world famous Alhambra monument in Granada, Southern Spain, listed as UNESCO world cultural heritage since 1984, represents probably the most beautiful example of Islamic art and architecture from the Middle Ages in Europe. It is visited by ca. 2 million people annually. Granada is situated in a natural basin, surrounded by mountains with altitudes up to 3500 m. Due to this topography and the prevailing low wind speeds, pollution-derived and especially traffic-derived particulate matter often accumulates in the urban air. In order to evaluate the potential conservation risks from the surrounding air, the atmospheric composition in the Alhambra monument was evaluated. Indoor temperature and relative humidity fluctuations were evaluated for their potential degenerative effects. Furthermore, the atmospheric composition in the Alhambra was analyzed in terms of inorganic gases (NO2, SO2, O3, and NH3) and black carbon. It was found that the open architecture protected the indoor environments from developing a potentially harmful microclimate, such as the build-up of humidity resulting from the huge number of daily tourists. On the downside, the strong ventilation made the indoor air hardly different from outdoor air, as characterized by strong diurnal temperature and relative humidity gradients and high traffic-derived pollutant levels.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000307662000002 Publication Date 2012-07-16
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 1757-8981; 1757-899x ISBN Additional Links 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 @ admin @ c:irua:100112 Serial 5484
Permanent link to this record
 

 
Author Pouyet, E.; Cotte, M.; Fayard, B.; Salome, M.; Meirer, F.; Mehta, A.; Uffelman, E.S.; Hull, A.; Vanmeert, F.; Kieffer, J.; Burghammer, M.; Janssens, K.; Sette, F.; Mass, J.
Title 2D X-ray and FTIR micro-analysis of the degradation of cadmium yellow pigment in paintings of Henri Matisse Type A1 Journal article
Year 2015 Publication Applied physics A : materials science & processing Abbreviated Journal (down)
Volume 121 Issue 3 Pages 967-980
Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Abstract The chemical and physical alterations of cadmium yellow (CdS) paints in Henri Matisse's The Joy of Life (1905-1906, The Barnes Foundation) have been recognized since 2006, when a survey by portable X-ray fluorescence identified this pigment in all altered regions of the monumental painting. This alteration is visible as fading, discoloration, chalking, flaking, and spalling of several regions of light to medium yellow paint. Since that time, synchrotron radiation-based techniques including elemental and spectroscopic imaging, as well as X-ray scattering have been employed to locate and identify the alteration products observed in this and related works by Henri Matisse. This information is necessary to formulate one or multiple mechanisms for degradation of Matisse's paints from this period, and thus ensure proper environmental conditions for the storage and the display of his works. This paper focuses on 2D full-field X-ray Near Edge Structure imaging, 2D micro-X-ray Diffraction, X-ray Fluorescence, and Fourier Transform Infra-red imaging of the altered paint layers to address one of the long-standing questions about cadmium yellow alteration-the roles of cadmium carbonates and cadmium sulphates found in the altered paint layers. These compounds have often been assumed to be photo-oxidation products, but could also be residual starting reagents from an indirect wet process synthesis of CdS. The data presented here allow identifying and mapping the location of cadmium carbonates, cadmium chlorides, cadmium oxalates, cadmium sulphates, and cadmium sulphides in thin sections of altered cadmium yellow paints from The Joy of Life and Matisse's Flower Piece (1906, The Barnes Foundation). Distribution of various cadmium compounds confirms that cadmium carbonates and sulphates are photo-degradation products in The Joy of Life, whereas in Flower Piece, cadmium carbonates appear to have been a [(partially) unreacted] starting reagent for the yellow paint, a role previously suggested in other altered yellow paints.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000364914100017 Publication Date 2015-06-03
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 0947-8396; 1432-0630 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access
Notes Approved no
Call Number UA @ admin @ c:irua:130290 Serial 7382
Permanent link to this record
 

 
Author Chaves, A.; Azadani, J.G.; Alsalman, H.; da Costa, D.R.; Frisenda, R.; Chaves, A.J.; Song, S.H.; Kim, Y.D.; He, D.; Zhou, J.; Castellanos-Gomez, A.; Peeters, F.M.; Liu, Z.; Hinkle, C.L.; Oh, S.-H.; Ye, P.D.; Koester, S.J.; Lee, Y.H.; Avouris, P.; Wang, X.; Low, T.
Title Bandgap engineering of two-dimensional semiconductor materials Type A1 Journal article
Year 2020 Publication npj 2D Materials and Applications Abbreviated Journal (down)
Volume 4 Issue 1 Pages 29-21
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Semiconductors are the basis of many vital technologies such as electronics, computing, communications, optoelectronics, and sensing. Modern semiconductor technology can trace its origins to the invention of the point contact transistor in 1947. This demonstration paved the way for the development of discrete and integrated semiconductor devices and circuits that has helped to build a modern society where semiconductors are ubiquitous components of everyday life. A key property that determines the semiconductor electrical and optical properties is the bandgap. Beyond graphene, recently discovered two-dimensional (2D) materials possess semiconducting bandgaps ranging from the terahertz and mid-infrared in bilayer graphene and black phosphorus, visible in transition metal dichalcogenides, to the ultraviolet in hexagonal boron nitride. In particular, these 2D materials were demonstrated to exhibit highly tunable bandgaps, achieved via the control of layers number, heterostructuring, strain engineering, chemical doping, alloying, intercalation, substrate engineering, as well as an external electric field. We provide a review of the basic physical principles of these various techniques on the engineering of quasi-particle and optical bandgaps, their bandgap tunability, potentials and limitations in practical realization in future 2D device technologies.
Address
Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000565588500001 Publication Date 2020-08-24
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2397-7132 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 604 Open Access
Notes ; Discussions and interactions with D.R. Reichman, F. Tavazza, N.M.R. Peres, and K. Choudhary are gratefully acknowledged. A.C. acknowledges financial support by CNPq, through the PRONEX/FUNCAP and PQ programs. This project has received funding from the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation program (grant agreement No. 755655, ERCStG 2017 project 2D-TOPSENSE). Computational support from the Minnesota Supercomputing Institute (MSI) and EU Graphene Flagship funding (Grant Graphene Core 2, 785219) is acknowledged. R.F. acknowledges support from the Netherlands Organization for Scientific Research (NWO) through the research program Rubicon with project number 680-50-1515. D.H., J.Z., and X.W. acknowledge support by National Natural Science Foundation of China 61734003, 61521001, 61704073, 51861145202, and 61851401, and National Key Basic Research Program of China 2015CB921600 and 2018YFB2200500. J.Z. and Z.L. acknowledge support by RG7/18, MOE2017-T2-2-136, MOE2018-T3-1-002, and A*Star QTE program. S.H.S. and Y.H.L. acknowledge the support from IBS-R011-D1. Y.D.K. is supported by Samsung Research and Incubation Funding Center of Samsung Electronics under Project Number SRFC-TB1803-04. S.J.K acknowledges financial support by the National Science Foundation (NSF), under award DMR-1921629. T.L. and J.G.A. acknowledge funding support from NSF/DMREF under Grant Agreement No. 1921629. S.-H.O. acknowledges support from the U.S. National Science Foundation (NSF ECCS 1809723) and Samsung Global Research Outreach (GRO) project. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:172069 Serial 6459
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Author Mulder, J.T.; Kirkwood, N.; De Trizio, L.; Li, C.; Bals, S.; Manna, L.; Houtepen, A.J.
Title Developing lattice matched ZnMgSe shells on InZnP quantum dots for phosphor applications Type A1 Journal article
Year 2020 Publication ACS applied nano materials Abbreviated Journal (down)
Volume 3 Issue 4 Pages 3859-3867
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Indium phosphide quantum dots (QDs) have drawn attention as alternatives to cadmium- and lead-based QDs that are currently used as phosphors in lamps and displays. The main drawbacks of InP QDs are, in general, a lower photoluminescence quantum yield (PLQY), a decreased color purity, and poor chemical stability. In this research, we attempted to increase the PLQY and stability of indium phosphide QDs by developing lattice matched InP/MgSe core-shell nanoheterostructures. The choice of MgSe comes from the fact that, in theory, it has a near-perfect lattice match with InP, provided MgSe is grown in the zinc blende crystal structure, which can be achieved by alloying with zinc. To retain lattice matching, we used Zn in both the core and shell and we fabricated InZnP/ZnxMg1-xSe core/shell QDs. To identify the most suitable conditions for the shell growth, we first developed a synthesis route to ZnxMg1-xSe nanocrystals (NCs) wherein Mg is effectively incorporated. Our optimized procedure was employed for the successful growth of ZnxMg1-xSe shells around In(Zn)P QDs. The corresponding core/ shell systems exhibit PLQYs higher than those of the starting In(Zn)P QDs and, more importantly, a higher color purity upon increasing the Mg content. The results are discussed in the context of a reduced density of interface states upon using better lattice matched ZnxMg1-xSe shells.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000529206200076 Publication Date 2020-03-16
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ISSN 2574-0970 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 5.9 Times cited 22 Open Access OpenAccess
Notes ; This project has received funding from the European Union's Horizon 2020 research and innovation programme under Grant Agreement No. 766900 (testing the large-scale limit of quantum mechanics). A.J.H. acknowledges support from the European Research Council Horizon 2020 ERC Grant Agreement No. 678004 (Doping on Demand). This research is supported by the Dutch Technology Foundation TTW, which is part of The Netherlands Organization for Scientific Research (NWO) and which is partly funded by Ministry of Economic Affairs. The authors thank Wiel Evers for performing the TEM imaging and the EDX analysis. The authors also thank Lea Pasquale and Mirko Prato for their help with performing and analyzing the XPS measurements and Filippo Drago for the ICP measurements. ; Approved Most recent IF: 5.9; 2020 IF: NA
Call Number UA @ admin @ c:irua:169563 Serial 6482
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Author Du, K.; Guo, L.; Peng, J.; Chen, X.; Zhou, Z.-N.; Zhang, Y.; Zheng, T.; Liang, Y.-P.; Lu, J.-P.; Ni, Z.-H.; Wang, S.-S.; Van Tendeloo, G.; Zhang, Z.; Dong, S.; Tian, H.
Title Direct visualization of irreducible ferrielectricity in crystals Type A1 Journal article
Year 2020 Publication npj Quantum Materials Abbreviated Journal (down)
Volume 5 Issue 1 Pages 49-7
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In solids, charge polarity can one-to-one correspond to spin polarity phenomenologically, e.g., ferroelectricity/ferromagnetism, antiferroelectricity/antiferromagnetism, and even dipole-vortex/magnetic-vortex, but ferrielectricity/ferrimagnetism kept telling a disparate story in microscopic level. Since the definition of a charge dipole involves more than one ion, there may be multiple choices for a dipole unit, which makes most ferrielectric orders equivalent to ferroelectric ones, i.e., this ferrielectricity is not necessary to be a real independent branch of polarity. In this work, by using the spherical aberration-corrected scanning transmission electron microscope, we visualize a nontrivial ferrielectric structural evolution in BaFe2Se3, in which the development of two polar sub-lattices is out-of-sync, for which we term it as irreducible ferrielectricity. Such irreducible ferrielectricity leads to a non-monotonic behavior for the temperature-dependent polarization, and even a compensation point in the ordered state. Our finding unambiguously distinguishes ferrielectrics from ferroelectrics in solids.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000551499400001 Publication Date 2020-07-23
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ISSN 2397-4648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes ; We acknowledge the National Natural Science Foundation of China (Grant Nos. 11834002, 11674055, and 11234011), National Key R&D Program of China 2017YFB0703100, and the 111 Project (Grant No. B16042). K.D. acknowledges the China Scholarship Council (CSC, No.201806320230) for sponsorship and 2019 Zhejiang University Academic Award for Outstanding Doctoral Candidates. We thank Prof. Fang Lin for providing guidance on calculating atoms position and Dr. Andrew Studer for performing neutron powder diffraction. We thank Prof. Sang-Wook Cheong, Prof. Zhigao Sheng, Prof. Qianghua Wang, Prof. Meng Wang, Prof. Renkui Zheng, Prof. Takuya Aoyama, Dr. Zhibo Yan, and Dr. Meifeng Liu for valuable discussion and/or technical help during measurements. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:171225 Serial 6486
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Author Vishwakarma, M.; Varandani, D.; Hendrickx, M.; Hadermann, J.; Mehta, B.R.
Title Nanoscale photovoltage mapping in CZTSe/CuxSe heterostructure by using kelvin probe force microscopy Type A1 Journal article
Year 2020 Publication Materials Research Express Abbreviated Journal (down)
Volume 7 Issue 1 Pages 016418
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract In the present work, kelvin probe force microscopy (KPFM) technique has been used to study the CZTSe/CuxSe bilayer interface prepared by multi-step deposition and selenization process of metal precursors. Transmission electron microscopy (TEM) confirmed the bilayer configuration of the CZTSe/CuxSe sample. Two configuration modes (surface mode and junction mode) in KPFM have been employed in order to measure the junction voltage under illumination conditions. The results show that CZTSe/CuxSe has small junction voltage of similar to 21 mV and the presence of CuxSe secondary phase in the CZTSe grain boundaries changes the workfunction of the local grain boundaries region. The negligible photovoltage difference between grain and grain boundaries in photovoltage image indicates that CuxSe phase deteriorates the higher photovoltage at grain boundaries normally observed in CZTSe based device. These results can be important for understanding the role of secondary phases in CZTSe based junction devices.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000520120900001 Publication Date 2019-12-27
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Impact Factor Times cited Open Access OpenAccess
Notes ; Authors acknowledges support provided DST in the forms of InSOL and Indo-Swiss projects. We also acknowledge Joke Hadermann EMAT, University of Antwerp, Groenenborgerlaan 171, B-2020 Belgium for helping in TEM measurements. M V Manoj Vishwakarma acknowledges IIT Delhi for MHRD fellowship. Prof B R Mehta acknowledges the support of the Schlumberger chair professorship. M V also acknowledges the support of DST-FIST Raman facility. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:167843 Serial 6567
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Author Liu, P.; Madsen, J.; Schiotz, J.; Wagner, J.B.; Hansen, T.W.
Title Reversible and concerted atom diffusion on supported gold nanoparticles Type A1 Journal article
Year 2020 Publication Journal Of Physics-materials Abbreviated Journal (down)
Volume 3 Issue 2 Pages 024009
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Traditionally, direct imaging of atom diffusion is only available by scanning tunneling microscopy and field ion microscopy on geometry-constrained samples: flat surfaces for STM and needle tips for FIM. Here we show time-resolved atomic-scale HRTEM investigations of CeO2-supported Au nanoparticle surfaces to characterize the surface dynamics of atom columns on gold nanoparticles. The observed surface dynamics have been categorized into four types: layer jumping, layer gliding, re-orientation and surface reconstruction. We successfully captured atoms moving in a concerted manner with a time resolution of 0.1 s. A quantitative approach for measuring the dynamics in various gaseous surroundings at elevated temperatures is presented. An approach for measuring quantitative electron beam effects on the surface dynamics is presented by counting atom column occupation as a function of time under a range of dose rates in high vacuum.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000560432800009 Publication Date 2020-03-24
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ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 2 Open Access OpenAccess
Notes ; ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:171320 Serial 6597
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Author Yasui, Y.; Lahabi, K.; Fernández Becerra, V.; Fermin, R.; Anwar, M.S.; Yonezawa, S.; Terashima, T.; Milošević, M.V.; Aarts, J.; Maeno, Y.
Title Spontaneous emergence of Josephson junctions in homogeneous rings of single-crystal Sr₂RuO₄ Type A1 Journal article
Year 2020 Publication npj Quantum Materials Abbreviated Journal (down)
Volume 5 Issue 1 Pages 21-28
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract The chiral p-wave order parameter in Sr2RuO4 would make it a special case amongst the unconventional superconductors. A consequence of this symmetry is the possible existence of superconducting domains of opposite chirality. At the boundary of such domains, the locally suppressed condensate can produce an intrinsic Josephson junction. Here, we provide evidence of such junctions using mesoscopic rings, structured from Sr2RuO4 single crystals. Our order parameter simulations predict such rings to host stable domain walls across their arms. This is verified with transport experiments on loops, with a sharp transition at 1.5 K, which show distinct critical current oscillations with periodicity corresponding to the flux quantum. In contrast, loops with broadened transitions at around 3 K are void of such junctions and show standard Little-Parks oscillations. Our analysis demonstrates the junctions are of intrinsic origin and makes a compelling case for the existence of superconducting domains.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000525721000001 Publication Date 2020-04-09
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2397-4648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 10 Open Access
Notes ; The authors would like to thank S. Goswami, A. Singh, M. Kupryianov, S. Bakurskiy, J. Jobst, T. Nakamura, K. Adachi, Y. Liu, and Y. Asano for valuable discussions and comments, and F. Hubler, Y. Nakamura, and Y. Yamaoka for their technical contribution. This work was supported by a Grant-in-Aid for Scientific Research on Innovative Areas “Topological Materials Science” (KAKENHI Grant Nos. JP15H05852, JP15K21717, JP15H05851), JSPS-EPSRC Core-to-Core program (A. Advanced Research Network), JSPS research fellow (KAKENHI Grant No. JP16J10404), Grant-in-Aid JSPS KAKENHI JP26287078 and JP17H04848, and the Netherlands Organisation for Scientific Research (NWO/OCW), as part of the Frontiers of Nanoscience program. V.F.B. acknowledges support from the Foundation for Polish Science through the IRA Programme co-financed by EU within SG OP. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:168553 Serial 6613
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Author Jorgensen, M.; Shea, P.T.; Tomich, A.W.; Varley, J.B.; Bercx, M.; Lovera, S.; Cerny, R.; Zhou, W.; Udovic, T.J.; Lavallo, V.; Jensen, T.R.; Wood, B.C.; Stavila, V.
Title Understanding superionic conductivity in lithium and sodium salts of weakly coordinating closo-hexahalocarbaborate anions Type A1 Journal article
Year 2020 Publication Chemistry of materials Abbreviated Journal (down)
Volume 32 Issue 4 Pages 1475-1487
Keywords A1 Journal article; Electron microscopy for materials research (EMAT)
Abstract Solid-state ion conductors based on closo-polyborate anions combine high ionic conductivity with a rich array of tunable properties. Cation mobility in these systems is intimately related to the strength of the interaction with the neighboring anionic network and the energy for reorganizing the coordination polyhedra. Here, we explore such factors in solid electrolytes with two anions of the weakest coordinating ability, [HCB11H5Cl6](-) and [HCB11H5Br6](-), and a total of 11 polymorphs are identified for their lithium and sodium salts. Our approach combines ab initio molecular dynamics, synchrotron X-ray powder diffraction, differential scanning calorimetry, and AC impedance measurements to investigate their structures, phase-transition behavior, anion orientational mobilities, and ionic conductivities. We find that M(HCB11H5X6) (M = Li, Na, X = Cl, Br) compounds exhibit order-disorder polymorphic transitions between 203 and 305 degrees C and display Li and Na superionic conductivity in the disordered state. Through detailed analysis, we illustrate how cation disordering in these compounds originates from a competitive interplay among the lattice symmetry, the anion reorientational mobility, the geometric and electronic asymmetry of the anion, and the polarizability of the halogen atoms. These factors are compared to other closo-polyborate-based ion conductors to suggest guidelines for optimizing the cation-anion interaction for fast ion mobility. This study expands the known solid-state poly(carba)borate-based materials capable of liquid-like ionic conductivities, unravels the mechanisms responsible for fast ion transport, and provides insights into the development of practical superionic solid electrolytes.
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Publisher Place of Publication Editor
Language Wos 000517351300014 Publication Date 2020-01-23
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ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 5 Open Access OpenAccess
Notes ; The authors gratefully acknowledge support from the Hydrogen Materials-Advanced Research Consortium (HyMARC), established as part of the Energy Materials Network under the U.S. Department of Energy, Office of Energy Efficiency and Renewable Energy, Fuel Cell Technologies Office, under Contract no. AC04-94AL85000. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology and Engineering Solutions of Sandia, LLC., a wholly owned subsidiary of Honeywell International, Inc., for the U.S. Department of Energy's National Nuclear Security Administration under Contract no. DE-NA-0003525. A portion of this work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract no. ACS2-07NA27344. We also gratefully thank Kyoung Kweon for useful discussions. The views and opinions of the authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof. Neither the United States Government nor any agency thereof nor any of their employees, makes any warranty, expressed or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. The Danish council for independent research, technology and production, HyNanoBorN (4181-00462) and SOS-MagBat (9041-00226B) and NordForsk, The Nordic Neutron Science Program, project FunHy (81942), and the Carlsberg Foundation are acknowledged for funding. Affiliation with the Center for Integrated Materials Research (iMAT) at Aarhus University is gratefully acknowledged. V.L. acknowledges the NSF for partial support of this project (DMR-1508537). The authors would like to thank the Swiss-Norwegian beamlines (BM01) at the ESRF, Grenoble, for the help with the data collection, DESY for access to Petra III, at beamline P02.1, and Diamond for access to beamline I11. ; Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:167754 Serial 6645
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Author Mortazavi, B.; Bafekry, A.; Shahrokhi, M.; Rabczuk, T.; Zhuang, X.
Title ZnN and ZnP as novel graphene-like materials with high Li-ion storage capacities Type A1 Journal article
Year 2020 Publication Materials today energy Abbreviated Journal (down)
Volume 16 Issue Pages Unsp 100392-8
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract In this work, we employed first-principles density functional theory (DFT) calculations to investigate the dynamical and thermal stability of graphene-like ZnX (X = N, P, As) nanosheets. We moreover analyzed the electronic, mechanical and optical properties of these novel two-dimensional (2D) systems. Acquired phonon dispersion relations reveal the absence of imaginary frequencies and thus confirming the dynamical stability of predicted monolayers. According to ab-initio molecular dynamics results however only ZnN and ZnP exhibit the required thermally stability. The elastic modulus of ZnN, ZnP and ZnAs are estimated to be 31, 21 and 17 N/m, respectively, and the corresponding tensile strengths values are 6.0, 4.9 and 4.0 N/m, respectively. Electronic band structure analysis confirms the metallic electronic character for the predicted monolayers. Results for the optical characteristics also indicate a reflectivity of 100% at extremely low energy levels, which is desirable for photonic and optoelectronic applications. According to our results, graphene-like ZnN and ZnP nanosheets can yield high capacities of 675 and 556 mAh/g for Li-ion storage, respectively. Acquired results confirm the stability and acceptable strength of ZnN and ZnP nanosheets and highlight their attractive application prospects in optical and energy storage systems.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000539083500049 Publication Date 2020-02-21
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Series Volume Series Issue Edition
ISSN 2468-6069 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor 9.3 Times cited 13 Open Access
Notes ; B. M. and X. Z. appreciate the funding by the Deutsche Forschungsgemeinschaft (DFG, German Research Foundation) under Germany's Excellence Strategy within the Cluster of Excellence PhoenixD (EXC 2122, Project ID 390833453). ; Approved Most recent IF: 9.3; 2020 IF: NA
Call Number UA @ admin @ c:irua:169752 Serial 6655
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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.
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 (down)
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.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000620584300009 Publication Date 2020-12-24
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Series Volume Series Issue Edition
ISSN ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:176654 Serial 6730
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Author Psilodimitrakopoulos, S.; Orekhov, A.; Mouchliadis, L.; Jannis, D.; Maragkakis, G.M.; Kourmoulakis, G.; Gauquelin, N.; Kioseoglou, G.; Verbeeck, J.; Stratakis, E.
Title Optical versus electron diffraction imaging of Twist-angle in 2D transition metal dichalcogenide bilayers Type A1 Journal article
Year 2021 Publication npj 2D Materials and Applications Abbreviated Journal (down)
Volume 5 Issue 1 Pages 77
Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Abstract Atomically thin two-dimensional (2D) materials can be vertically stacked with van der Waals bonds, which enable interlayer coupling. In the particular case of transition metal dichalcogenide (TMD) bilayers, the relative direction between the two monolayers, coined as twist-angle, modifies the crystal symmetry and creates a superlattice with exciting properties. Here, we demonstrate an all-optical method for pixel-by-pixel mapping of the twist-angle with a resolution of 0.55(degrees), via polarization-resolved second harmonic generation (P-SHG) microscopy and we compare it with four-dimensional scanning transmission electron microscopy (4D STEM). It is found that the twist-angle imaging of WS2 bilayers, using the P-SHG technique is in excellent agreement with that obtained using electron diffraction. The main advantages of the optical approach are that the characterization is performed on the same substrate that the device is created on and that it is three orders of magnitude faster than the 4D STEM. We envisage that the optical P-SHG imaging could become the gold standard for the quality examination of TMD superlattice-based devices.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000694849200001 Publication Date 2021-09-09
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Series Volume Series Issue Edition
ISSN 2397-7132 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 4 Open Access OpenAccess
Notes This research has been co-financed by the European Union and Greek national funds through the Operational Program Competitiveness, Entrepreneurship and Innovation, under the call European R & T Cooperation-Grant Act of Hellenic Institutions that have successfully participated in Joint Calls for Proposals of European Networks ERA NETS (National project code: GRAPH-EYE T8 Epsilon Rho Alpha 2-00009 and European code: 26632, FLAGERA). L.M., G.Ko. and G.Ki. acknowledge funding by the Hellenic Foundation for Research and Innovation (H.F.R.I.) under the “First Call for H.F.R.I. Research Projects to support Faculty members and Researchers and the procurement of high-cost research equipment grant” (Project No: HFRI-FM17-3034). GKi, S.P. and G.M.M. acknowledge funding from a research co-financed by Greece and the European Union (European Social Fund-ESF) through the Operational Programme “Human Resources Development, Education and Lifelong Learning 2014-2020” in the context of the project “Crystal quality control of two-dimensional materials and their heterostructures via imaging of their non-linear optical properties” (MIS 5050340)“. J.V acknowledges funding from FWO G093417N ('Compressed sensing enabling low dose imaging in transmission electron microscopy') from the Flanders Research Fund, EU. J.V. and N.G. acknowledge funding from the European Union under the Horizon 2020 programme within a contract for Integrating Activities for Advanced Communities No 823717-ESTEEM3. J.V. N.G. and A.O. acknowledge funding through a GOA project ”Solarpaint" of the University of Antwerp. Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:181610 Serial 6877
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Author Conti, S.; Saberi-Pouya, S.; Perali, A.; Virgilio, M.; Peeters, F.M.; Hamilton, A.R.; Scappucci, G.; Neilson, D.
Title Electron-hole superfluidity in strained Si/Ge type II heterojunctions Type A1 Journal article
Year 2021 Publication npj Quantum Materials Abbreviated Journal (down)
Volume 6 Issue 1 Pages 41
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Excitons are promising candidates for generating superfluidity and Bose-Einstein condensation (BEC) in solid-state devices, but an enabling material platform with in-built band structure advantages and scaling compatibility with industrial semiconductor technology is lacking. Here we predict that spatially indirect excitons in a lattice-matched strained Si/Ge bilayer embedded into a germanium-rich SiGe crystal would lead to observable mass-imbalanced electron-hole superfluidity and BEC. Holes would be confined in a compressively strained Ge quantum well and electrons in a lattice-matched tensile strained Si quantum well. We envision a device architecture that does not require an insulating barrier at the Si/Ge interface, since this interface offers a type II band alignment. Thus the electrons and holes can be kept very close but strictly separate, strengthening the electron-hole pairing attraction while preventing fast electron-hole recombination. The band alignment also allows a one-step procedure for making independent contacts to the electron and hole layers, overcoming a significant obstacle to device fabrication. We predict superfluidity at experimentally accessible temperatures of a few Kelvin and carrier densities up to similar to 6 x 10(10) cm(-2), while the large imbalance of the electron and hole effective masses can lead to exotic superfluid phases.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000642904200001 Publication Date 2021-04-23
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2397-4648 ISBN Additional Links UA library record; WoS full record; WoS citing articles
Impact Factor Times cited 9 Open Access OpenAccess
Notes Approved Most recent IF: NA
Call Number UA @ admin @ c:irua:178226 Serial 6984
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Author Tiwari, S.; Van de Put, M.L.; Sorée, B.; Vandenberghe, W.G.
Title Magnetic order and critical temperature of substitutionally doped transition metal dichalcogenide monolayers Type A1 Journal article
Year 2021 Publication npj 2D Materials and Applications Abbreviated Journal (down)
Volume 5 Issue 1 Pages 54
Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Abstract Using first-principles calculations, we investigate the magnetic order in two-dimensional (2D) transition-metal-dichalcogenide (TMD) monolayers: MoS2, MoSe2, MoTe2, WSe2, and WS2 substitutionally doped with period four transition-metals (Ti, V, Cr, Mn, Fe, Co, Ni). We uncover five distinct magnetically ordered states among the 35 distinct TMD-dopant pairs: the non-magnetic (NM), the ferromagnetic with out-of-plane spin polarization (Z FM), the out-of-plane polarized clustered FMs (clustered Z FM), the in-plane polarized FMs (X-Y FM), and the anti-ferromagnetic (AFM) state. Ni and Ti dopants result in an NM state for all considered TMDs, while Cr dopants result in an anti-ferromagnetically ordered state for all the TMDs. Most remarkably, we find that Fe, Mn, Co, and V result in an FM ordered state for all the TMDs, except for MoTe2. Finally, we show that V-doped MoSe2 and WSe2, and Mn-doped MoS2, are the most suitable candidates for realizing a room-temperature FM at a 16-18% atomic substitution.
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Corporate Author Thesis
Publisher Place of Publication Editor
Language Wos 000650635200004 Publication Date 2021-05-14
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2397-7132 ISBN Additional Links 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:179063 Serial 7001
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Author Juneja, R.; Thebaud, S.; Pandey, T.; Polanco, C.A.; Moseley, D.H.; Manley, M.E.; Cheng, Y.Q.; Winn, B.; Abernathy, D.L.; Hermann, R.P.; Lindsay, L.
Title Quasiparticle twist dynamics in non-symmorphic materials Type A1 Journal article
Year 2021 Publication Materials Today Physics Abbreviated Journal (down)
Volume 21 Issue Pages 100548
Keywords A1 Journal article; Condensed Matter Theory (CMT)
Abstract Quasiparticle physics underlies our understanding of the microscopic dynamical behaviors of materials that govern a vast array of properties, including structural stability, excited states and interactions, dynamical structure factors, and electron and phonon conductivities. Thus, understanding band structures and quasiparticle interactions is foundational to the study of condensed matter. Here we advance a 'twist' dynamical description of quasiparticles (including phonons and Bloch electrons) in nonsymmorphic chiral and achiral materials. Such materials often have structural complexity, strong thermal resistance, and efficient thermoelectric performance for waste heat capture and clean refrigeration technologies. The twist dynamics presented here provides a novel perspective of quasiparticle behaviors in such complex materials, in particular highlighting how non-symmorphic symmetries determine band crossings and anti-crossings, topological behaviors, quasiparticle interactions that govern transport, and observables in scattering experiments. We provide specific context via neutron scattering measurements and first-principles calculations of phonons and electrons in chiral tellurium dioxide. Building twist symmetries into the quasiparticle dynamics of non-symmorphic materials offers intuition into quasi particle behaviors, materials properties, and guides improved experimental designs to probe them. More specifically, insights into the phonon and electron quasiparticle physics presented here will enable materials design strategies to control interactions and transport for enhanced thermoelectric and thermal management applications. (C) 2021 Published by Elsevier Ltd.
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Publisher Place of Publication Editor
Language Wos 000708226400009 Publication Date 2021-09-30
Series Editor Series Title Abbreviated Series Title
Series Volume Series Issue Edition
ISSN 2542-5293 ISBN Additional Links 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:184040 Serial 7016
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