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Author Baskurt, M.; Yagmurcukardes, M.; Peeters, F.M.; Sahin, H. pdf  doi
openurl 
  Title Stable single-layers of calcium halides (CaX₂, X = F, Cl, Br, I) Type A1 Journal article
  Year 2020 Publication Journal Of Chemical Physics Abbreviated Journal J Chem Phys  
  Volume 152 Issue 16 Pages 164116-164118  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By means of density functional theory based first-principles calculations, the structural, vibrational, and electronic properties of 1H- and 1T-phases of single-layer CaX2 (X = F, Cl, Br, or I) structures are investigated. Our results reveal that both the 1H- and 1T-phases are dynamically stable in terms of their phonon band dispersions with the latter being the energetically favorable phase for all single-layers. In both phases of single-layer CaX2 structures, significant phonon softening occurs as the atomic radius increases. In addition, each structural phase exhibits distinctive Raman active modes that enable one to characterize either the phase or the structure via Raman spectroscopy. The electronic band dispersions of single-layer CaX2 structures reveal that all structures are indirect bandgap insulators with a decrease in bandgaps from fluorite to iodide crystals. Furthermore, the calculated linear elastic constants, in-plane stiffness, and Poisson ratio indicate the ultra-soft nature of CaX2 single-layers, which is quite important for their nanoelastic applications. Overall, our study reveals that with their dynamically stable 1T- and 1H-phases, single-layers of CaX2 crystals can be alternative ultra-thin insulators.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000531819100001 Publication Date 2020-04-29  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-9606 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.4 Times cited 14 Open Access  
  Notes ; Computational resources were provided by TUBITAK ULAKBIM, High Performance and Grid Computing Center (TR-Grid e-Infrastructure). H.S. acknowledges financial support from the TUBITAK under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. was supported by a postdoctoral fellowship from the Flemish Science Foundation (FWO-Vl). ; Approved Most recent IF: 4.4; 2020 IF: 2.965  
  Call Number UA @ admin @ c:irua:169543 Serial 6615  
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Author Liang, Y.-S.; Liu, Y.-X.; Zhang, Y.-R.; Wang, Y.-N. pdf  doi
openurl 
  Title Investigation of voltage effect on reaction mechanisms in capacitively coupled N-2 discharges Type A1 Journal article
  Year 2020 Publication Journal Of Applied Physics Abbreviated Journal J Appl Phys  
  Volume 127 Issue 13 Pages 133301  
  Keywords A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract A systematic investigation of voltage effect on the plasma parameters, especially the species densities and chemical reaction mechanisms, in the capacitive N-2 discharges is performed by employing a two-dimensional self-consistent fluid model. The validity of the numerical model is first demonstrated by the qualitative agreement of the calculated and experimental results. Then, the densities, production mechanisms, and loss mechanisms of species from simulation are examined at various voltages. It is found that all the species densities increase monotonically with the voltage, whereas their spatial profiles at lower voltages are quite different from those at higher voltages. The electrons and Nthorn 2 ions are mainly generated by the electron impact ionization of N-2 gas, while the Nthorn ions, whose density is one or two orders of magnitude lower, are mostly formed by the ionization of N atoms. The electron impact dissociation of N-2 gas dominates the generation of N atoms, which are mostly destroyed for the Nthorn ion production. As for the excited N-2 levels, the level conversion processes play a very important role in their production and depletion mechanisms, except for the electron impact excitation of the ground state N-2 molecules. Published under license by AIP Publishing.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000524256700001 Publication Date 2020-04-01  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0021-8979; 1089-7550 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.2 Times cited Open Access  
  Notes ; This work was financially supported by the National Natural Science Foundation of China (NNSFC) (Grant Nos. 11805089 and 11875101), the Natural Science Foundation of Liaoning Province, China (Grant No. 2019-BS-127), the Key Laboratory of Materials Modification by Laser, Ion and Electron Beams, Ministry of Education, China (Grant No. KF1804), and the China Scholarship Council. ; Approved Most recent IF: 3.2; 2020 IF: 2.068  
  Call Number UA @ admin @ c:irua:168558 Serial 6555  
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Author Yagmurcukardes, M.; Qin, Y.; Ozen, S.; Sayyad, M.; Peeters, F.M.; Tongay, S.; Sahin, H. pdf  doi
openurl 
  Title Quantum properties and applications of 2D Janus crystals and their superlattices Type A1 Journal article
  Year 2020 Publication Applied Physics Reviews Abbreviated Journal Appl Phys Rev  
  Volume 7 Issue 1 Pages 011311-11316  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Two-dimensional (2D) Janus materials are a new class of materials with unique physical, chemical, and quantum properties. The name “Janus” originates from the ancient Roman god which has two faces, one looking to the future while the other facing the past. Janus has been used to describe special types of materials which have two faces at the nanoscale. This unique atomic arrangement has been shown to present rather exotic properties with applications in biology, chemistry, energy conversion, and quantum sciences. This review article aims to offer a comprehensive review of the emergent quantum properties of Janus materials. The review starts by introducing 0D Janus nanoparticles and 1D Janus nanotubes, and highlights their difference from classical ones. The design principles, synthesis, and the properties of graphene-based and chalcogenide-based Janus layers are then discussed. A particular emphasis is given to colossal built-in potential in 2D Janus layers and resulting quantum phenomena such as Rashba splitting, skyrmionics, excitonics, and 2D magnetic ordering. More recent theoretical predictions are discussed in 2D Janus superlattices when Janus layers are stacked onto each other. Finally, we discuss the tunable quantum properties and newly predicted 2D Janus layers waiting to be experimentally realized. The review serves as a complete summary of the 2D Janus library and predicted quantum properties in 2D Janus layers and their superlattices.  
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  Corporate Author Thesis  
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  Language Wos 000519611500001 Publication Date 2020-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1931-9401 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 15 Times cited 158 Open Access  
  Notes ; S.T. acknowledges support from NSF Contract Nos. DMR 1552220, DMR 1904716, and NSF CMMI 1933214. H.S. acknowledges financial support from the Scientific and Technological Research Council of Turkey (TUBITAK) under Project No. 117F095. H.S. acknowledges support from the Turkish Academy of Sciences under the GEBIP program. M.Y. is supported by the Flemish Science Foundation (FWO-Vl) through a postdoctoral fellowship. Part of this work was supported by the FLAG-ERA project TRANS2D-TMD. ; Approved Most recent IF: 15; 2020 IF: 13.667  
  Call Number UA @ admin @ c:irua:167712 Serial 6591  
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Author Ferreira da Costa, L.; de Lucena, L.C.F.L.; de Lucena, A.E.F.L.; Grangeiro de Barros, A. doi  openurl
  Title Use of Banana Fibers in SMA Mixtures Type A1 Journal article
  Year 2020 Publication Journal Of Materials In Civil Engineering Abbreviated Journal J Mater Civil Eng  
  Volume 32 Issue 1 Pages 04019341  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Energy and Materials in Infrastructure and Buildings (EMIB)  
  Abstract Asphalt binder draindown is a potential issue related to stone matrix asphalt (SMA) mixtures. One convenient approach for reducing binder drainage is the use of fibers as stabilizing additives. This study assesses the feasibility of incorporating fibers from banana plants into an SMA mixture as a proposed use for residues from banana cultivation. We found the fiber content capable of preventing draindown and subsequently evaluated the influence of fiber length on the mechanical properties of an SMA mixture. Samples were prepared in a Superpave gyratory compactor with four different fiber lengths (5, 10, 15, and 20 mm) at a fixed content (0.3% by weight) and then compared to samples without fibers. Indirect tensile strength, resilient and dynamic modulus, flow number, and fatigue life tests were conducted. Overall, fibers improved the mechanical properties analyzed. These enhancements were more pronounced for the samples with 15- and 20-mm fibers. Thus, a smaller number of longer fibers was more beneficial to the fiber reinforcement of mixtures than a larger number of shorter fibers.  
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  Corporate Author Thesis  
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  Language Wos 000497709300014 Publication Date 2019-11-13  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0899-1561 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.2 Times cited Open Access  
  Notes Approved Most recent IF: 3.2; 2020 IF: 1.644  
  Call Number UA @ admin @ c:irua:178728 Serial 8719  
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Author Sarikurt, S.; Kocabas, T.; Sevik, C. doi  openurl
  Title High-throughput computational screening of 2D materials for thermoelectrics Type A1 Journal article
  Year 2020 Publication Journal Of Materials Chemistry A Abbreviated Journal J Mater Chem A  
  Volume 8 Issue 37 Pages 19674-19683  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract High-performance thermoelectric materials are critical in recuperating the thermal losses in various machinery and promising in renewable energy applications. In this respect, the search for novel thermoelectric materials has attracted considerable attention. In particular, low dimensional materials have been proposed as potential candidates due to their unique and controllable thermal and electronic transport properties. The considerable potential of several two-dimensional materials as thermoelectric devices has already been uncovered and many new candidates that merit further research have been suggested. In this regard, we comprehensively investigate the thermoelectric coefficients and electronic fitness function (EFF) of a large family of structurally isotropic and anisotropic two-dimensional layered materials using density functional theory combined with semi-classical Boltzmann transport theory. With this high-throughput screening, we bring to light additional 2D crystals that haven't been previously classified as favorable TE materials. We predict that Pb2Se2, GeS2, As-2, NiS2, Hf2O6, Zr2O6, AsBrS, ISbTe, ISbSe, AsISe, and AsITe are promising isotropic thermoelectric materials due to their considerably high EFF values. In addition to these materials, Hf2Br4, Zr2Br4, Hf2Cl4, Zr2Cl4, Hf2O6, Zr(2)O(6)and Os(2)O(4)exhibit strong anisotropy and possess prominently high EFF values.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000573889000046 Publication Date 2020-08-31  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2050-7488; 2050-7496 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.9 Times cited Open Access  
  Notes Approved Most recent IF: 11.9; 2020 IF: 8.867  
  Call Number UA @ admin @ c:irua:193778 Serial 8039  
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Author Lu, Y.; Liu, Y.-X.; He, L.; Wang, L.-Y.; Liu, X.-L.; Liu, J.-W.; Li, Y.-Z.; Tian, G.; Zhao, H.; Yang, X.-H.; Liu, J.; Janiak, C.; Lenaerts, S.; Yang, X.-Y.; Su, B.-L. doi  openurl
  Title Interfacial co-existence of oxygen and titanium vacancies in nanostructured TiO₂ for enhancement of carrier transport Type A1 Journal article
  Year 2020 Publication Nanoscale Abbreviated Journal Nanoscale  
  Volume 12 Issue 15 Pages 8364-8370  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract The interfacial co-existence of oxygen and metal vacancies in metal oxide semiconductors and their highly efficient carrier transport have rarely been reported. This work reports on the co-existence of oxygen and titanium vacancies at the interface between TiO2 and rGO via a simple two-step calcination treatment. Experimental measurements show that the oxygen and titanium vacancies are formed under 550 degrees C/Ar and 350 degrees C/air calcination conditions, respectively. These oxygen and titanium vacancies significantly enhance the transport of interfacial carriers, and thus greatly improve the photocurrent performances, the apparent quantum yield, and photocatalysis such as photocatalytic H-2 production from water-splitting, photocatalytic CO2 reduction and photo-electrochemical anticorrosion of metals. A new “interfacial co-existence of oxygen and titanium vacancies” phenomenon, and its characteristics and mechanism are proposed at the atomic-/nanoscale to clarify the generation of oxygen and titanium vacancies as well as the interfacial carrier transport.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000529201500029 Publication Date 2020-02-26  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2040-3364 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.7 Times cited 4 Open Access  
  Notes ; This work was supported by the National Natural Science Foundation of China (51861135313, U1663225, U1662134, and 51472190), the International Science & Technology Cooperation Program of China (2015DFE52870), the Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52), the Fundamental Research Funds for the Central Universities (19lgpy113 and 19lgzd16), the Jilin Province Science and Technology Development Plan (20180101208JC) and the Hubei Provincial Natural Science Foundation of China (2016CFA033). ; Approved Most recent IF: 6.7; 2020 IF: 7.367  
  Call Number UA @ admin @ c:irua:169578 Serial 6550  
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Author Litzius, K.; Leliaert, J.; Bassirian, P.; Rodrigues, D.; Kromin, S.; Lemesh, I.; Zazvorka, J.; Lee, K.-J.; Mulkers, J.; Kerber, N.; Heinze, D.; Keil, N.; Reeve, R.M.; Weigand, M.; Van Waeyenberge, B.; Schuetz, G.; Everschor-Sitte, K.; Beach, G.S.D.; Klaeui, M. pdf  doi
openurl 
  Title The role of temperature and drive current in skyrmion dynamics Type A1 Journal article
  Year 2020 Publication Nature Electronics Abbreviated Journal  
  Volume 3 Issue 1 Pages 30-36  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract Magnetic skyrmions are topologically stabilized nanoscale spin structures that could be of use in the development of future spintronic devices. When a skyrmion is driven by an electric current it propagates at an angle relative to the flow of current-known as the skyrmion Hall angle (SkHA)-that is a function of the drive current. This drive dependence, as well as thermal effects due to Joule heating, could be used to tailor skyrmion trajectories, but are not well understood. Here we report a study of skyrmion dynamics as a function of temperature and drive amplitude. We find that the skyrmion velocity depends strongly on temperature, while the SkHA does not and instead evolves differently in the low- and high-drive regimes. In particular, the maximum skyrmion velocity in ferromagnetic devices is limited by a mechanism based on skyrmion surface tension and deformation (where the skyrmion transitions into a stripe). Our mechanism provides a complete description of the SkHA in ferromagnetic multilayers across the full range of drive strengths, illustrating that skyrmion trajectories can be engineered for device applications. An analysis of skyrmion dynamics at different temperatures and electric drive currents is used to develop a complete description of the skyrmion Hall angle in ferromagnetic multilayers from the creep to the flow regime and illustrates that skyrmion trajectories can be engineered for device applications.  
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  Language Wos 000510860800012 Publication Date 2020-01-24  
  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 11 Open Access  
  Notes ; ; Approved Most recent IF: NA  
  Call Number UA @ admin @ c:irua:167863 Serial 6625  
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Author Mao, J.; Milovanović, S.P.; Andelkovic, M.; Lai, X.; Cao, Y.; Watanabe, K.; Taniguchi, T.; Covaci, L.; Peeters, F.M.; Geim, A.K.; Jiang, Y.; Andrei, E.Y. pdf  doi
openurl 
  Title Evidence of flat bands and correlated states in buckled graphene superlattices Type A1 Journal article
  Year 2020 Publication Nature Abbreviated Journal Nature  
  Volume 584 Issue 7820 Pages 215-220  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT); Condensed Matter Theory (CMT)  
  Abstract Two-dimensional atomic crystals can radically change their properties in response to external influences, such as substrate orientation or strain, forming materials with novel electronic structure(1-5). An example is the creation of weakly dispersive, 'flat' bands in bilayer graphene for certain 'magic' angles of twist between the orientations of the two layers(6). The quenched kinetic energy in these flat bands promotes electron-electron interactions and facilitates the emergence of strongly correlated phases, such as superconductivity and correlated insulators. However, the very accurate fine-tuning required to obtain the magic angle in twisted-bilayer graphene poses challenges to fabrication and scalability. Here we present an alternative route to creating flat bands that does not involve fine-tuning. Using scanning tunnelling microscopy and spectroscopy, together with numerical simulations, we demonstrate that graphene monolayers placed on an atomically flat substrate can be forced to undergo a buckling transition(7-9), resulting in a periodically modulated pseudo-magnetic field(10-14), which in turn creates a 'post-graphene' material with flat electronic bands. When we introduce the Fermi level into these flat bands using electrostatic doping, we observe a pseudogap-like depletion in the density of states, which signals the emergence of a correlated state(15-17). This buckling of two-dimensional crystals offers a strategy for creating other superlattice systems and, in particular, for exploring interaction phenomena characteristic of flat bands. Buckled monolayer graphene superlattices are found to provide an alternative to twisted bilayer graphene for the study of flat bands and correlated states in a carbon-based material.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000559831500012 Publication Date 2020-08-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0028-0836 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 64.8 Times cited 109 Open Access Not_Open_Access  
  Notes ; ; Approved Most recent IF: 64.8; 2020 IF: 40.137  
  Call Number UA @ admin @ c:irua:171150 Serial 6513  
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Author Wang, H.S.; Chen, L.; Elibol, K.; He, L.; Wang, H.; Chen, C.; Jiang, C.; Li, C.; Wu, T.; Cong, C.X.; Pennycook, T.J.; Argentero, G.; Zhang, D.; Watanabe, K.; Taniguchi, T.; Wei, W.; Yuan, Q.; Meyer, J.C.; Xie, X. pdf  doi
openurl 
  Title Towards chirality control of graphene nanoribbons embedded in hexagonal boron nitride Type A1 Journal article
  Year 2020 Publication Nature Materials Abbreviated Journal Nat Mater  
  Volume Issue Pages 1-10  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Oriented trenches are created in h-BN using different catalysts, and used as templates to grow seamlessly integrated armchair and zigzag graphene nanoribbons with chirality-dependent electrical and magnetic conductance properties. The integrated in-plane growth of graphene nanoribbons (GNRs) and hexagonal boron nitride (h-BN) could provide a promising route to achieve integrated circuitry of atomic thickness. However, fabrication of edge-specific GNRs in the lattice of h-BN still remains a significant challenge. Here we developed a two-step growth method and successfully achieved sub-5-nm-wide zigzag and armchair GNRs embedded in h-BN. Further transport measurements reveal that the sub-7-nm-wide zigzag GNRs exhibit openings of the bandgap inversely proportional to their width, while narrow armchair GNRs exhibit some fluctuation in the bandgap-width relationship. An obvious conductance peak is observed in the transfer curves of 8- to 10-nm-wide zigzag GNRs, while it is absent in most armchair GNRs. Zigzag GNRs exhibit a small magnetic conductance, while armchair GNRs have much higher magnetic conductance values. This integrated lateral growth of edge-specific GNRs in h-BN provides a promising route to achieve intricate nanoscale circuits.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000571692500001 Publication Date 2020-09-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1476-1122; 1476-4660 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 41.2 Times cited 3 Open Access Not_Open_Access  
  Notes ; H.W. and X.X. thank J.H. Edgar (Kansas State University, USA) for supplying the partial h-BN crystals. H. S. Wang, L. Chen and H. Wang thank M. Liu, X. Qiu and J. Pan from NCNT of China, F. Liou, H. Tsai, M. Crommie from UCB, USA, J. Xue and P. Yu from ShanghaiTech University and S. Wang from SJTU for nc-AFM measurement. H. S. Wang, L. Chen and H. Wang thank B. Sun and S. Li from Hunan University for the fusion of the STEM image and the electron energy loss spectroscopy mapping images. Funding: The work was partially supported by the National Key R&D program (Grant No. 2017YFF0206106), the Strategic Priority Research Program of Chinese Academy of Sciences (Grant No. XDB30000000), the National Science Foundation of China (Grant No. 51772317, 51302096, 61774040, 91964102), the Science and Technology Commission of Shanghai Municipality (Grant No. 16ZR1442700, 16ZR1402500 18511110700), Shanghai Rising-Star Program (A type) (Grant No.18QA1404800), the Hubei Provincial Natural Science Foundation of China (Grant No. ZRMS2017000370), China Postdoctoral Science Foundation (Grant No. 2017M621563, 2018T110415), and the Fundamental Research Funds of Wuhan City (No. 2016060101010075). C.L. acknowledges support from the European Union's Horizon 2020 research and innovation programme under the Marie Skodowska-Curie grants No. 656378 – Interfacial Reactions. T.J.P. acknowledges funding from European Union's Horizon 2020 Research and Innovation Programme under the Marie Sklodowska-Curie grant agreement no. 655760-DIGIPHASE. K.W. and T.T. acknowledge support from the Elemental Strategy Initiative conducted by the MEXT, Japan and the CREST (JPMJCR15F3), JST. C.X.C. acknowledges financial support from the National Young 1000 Talent Plan of China and the National Key R&D Program of China (No. 2018YFA0703700). L.H. acknowledges financial support from the programme of China Scholarships Council (No. 201706160037). ; Approved Most recent IF: 41.2; 2020 IF: 39.737  
  Call Number UA @ admin @ c:irua:171944 Serial 6633  
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Author Haug, C.; Ruebeling, F.; Kashiwar, A.; Gumbsch, P.; Kübel, C.; Greiner, C. doi  openurl
  Title Early deformation mechanisms in the shear affected region underneath a copper sliding contact Type A1 Journal article
  Year 2020 Publication Nature Communications Abbreviated Journal Nat Commun  
  Volume 11 Issue 1 Pages 839-8  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract Dislocation mediated plastic deformation decisively influences the friction coefficient and the microstructural changes at many metal sliding interfaces during tribological loading. This work explores the initiation of a tribologically induced microstructure in the vicinity of a copper twin boundary. Two distinct horizontal dislocation traces lines (DTL) are observed in their interaction with the twin boundary beneath the sliding interface. DTL formation seems unaffected by the presence of the twin boundary but the twin boundary acts as an indicator of the occurring deformation mechanisms. Three concurrent elementary processes can be identified: simple shear of the subsurface area in sliding direction, localized shear at the primary DTL and crystal rotation in the layers above and between the DTLs around axes parallel to the transverse direction. Crystal orientation analysis demonstrates a strong compatibility of these proposed processes. Quantitatively separating these different deformation mechanisms is crucial for future predictive modeling of tribological contacts.  
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  Language Wos Publication Date 2020-02-11  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 2041-1723 ISBN Additional Links UA library record  
  Impact Factor 16.6 Times cited Open Access  
  Notes Approved Most recent IF: 16.6; 2020 IF: 12.124  
  Call Number UA @ admin @ c:irua:183619 Serial 6863  
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Author Bottari, F.; Daems, E.; de Vries, A.-M.; Van Wielendaele, P.; Trashin, S.; Blust, R.; Sobott, F.; Madder, A.; Martins, J.C.; De Wael, K. pdf  doi
openurl 
  Title Do aptamers always bind? The need for a multifaceted analytical approach when demonstrating binding affinity between aptamer and low molecular weight compounds Type A1 Journal article
  Year 2020 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 142 Issue 46 Pages jacs.0c08691-19630  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Medical Biochemistry  
  Abstract In this manuscript, we compare different analytical methodologies to validate or disprove the binding capabilities of aptamer sequences. This was prompted by the lack of a universally accepted and robust quality control protocol for the characterization of aptamer performances coupled with the observation of independent yet inconsistent data sets in the literature. As an example, we chose three aptamers with a reported affinity in the nanomolar range for ampicillin, a β-lactam antibiotic, used as biorecognition elements in several detection strategies described in the literature. Application of a well-known colorimetric assay based on aggregation of gold nanoparticles (AuNPs) yielded conflicting results with respect to the original report. Therefore, ampicillin binding was evaluated in solution using isothermal titration calorimetry (ITC), native nano-electrospray ionization mass spectrometry (native nESI-MS), and 1H-nuclear magnetic resonance spectroscopy (1H NMR). By coupling the thermodynamic data obtained with ITC with the structural information on the binding event given by native nESI-MS and 1H NMR we could verify that none of the ampicillin aptamers show any specific binding with their intended target. The effect of AuNPs on the binding event was studied by both ITC and 1H NMR, again without providing positive evidence of ampicillin binding. To validate the performance of our analytical approach, we investigated two well-characterized aptamers for cocaine/quinine (MN4), chosen for its nanomolar range affinity, and l-argininamide (1OLD) to show the versatility of our approach. The results clearly indicate the need for a multifaceted analytical approach, to unequivocally establish the actual detection potential and performance of aptamers aimed at small organic molecules.  
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  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000592911000024 Publication Date 2020-11-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 15 Times cited Open Access  
  Notes Approved Most recent IF: 15; 2020 IF: 13.858  
  Call Number UA @ admin @ c:irua:173136 Serial 6488  
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Author Han, Y.; Zeng, Y.; Hendrickx, M.; Hadermann, J.; Stephens, P.W.; Zhu, C.; Grams, C.P.; Hemberger, J.; Frank, C.; Li, S.; Wu, M.X.; Retuerto, M.; Croft, M.; Walker, D.; Yao, D.-X.; Greenblatt, M.; Li, M.-R. doi  openurl
  Title Universal a-cation splitting in LiNbO₃-type structure driven by intrapositional multivalent coupling Type A1 Journal article
  Year 2020 Publication Journal Of The American Chemical Society Abbreviated Journal J Am Chem Soc  
  Volume 142 Issue 15 Pages 7168-7178  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Understanding the electric dipole switching in multiferroic materials requires deep insight of the atomic-scale local structure evolution to reveal the ferroelectric mechanism, which remains unclear and lacks a solid experimental indicator in high-pressure prepared LiNbO3-type polar magnets. Here, we report the discovery of Zn-ion splitting in LiNbO3-type Zn2FeNbO6 established by multiple diffraction techniques. The coexistence of a high-temperature paraelectric-like phase in the polar Zn2FeNbO6 lattice motivated us to revisit other high-pressure prepared LiNbO3-type A(2)BB'O-6 compounds. The A-site atomic splitting (similar to 1.0-1.2 angstrom between the split-atom pair) in B/B'-mixed Zn2FeTaO6 and O/N-mixed ZnTaO2N is verified by both powder X-ray diffraction structural refinements and high angle annular dark field scanning transmission electron microscopy images, but is absent in single-B-site ZnSnO3. Theoretical calculations are in good agreement with experimental results and suggest that this kind of A-site splitting also exists in the B-site mixed Mn-analogues, Mn2FeMO6 (M = Nb, Ta) and anion-mixed MnTaO2N, where the smaller A-site splitting (similar to 0.2 angstrom atomic displacement) is attributed to magnetic interactions and bonding between A and B cations. These findings reveal universal A-site splitting in LiNbO3-type structures with mixed multivalent B/B', or anionic sites, and the splitting-atomic displacement can be strongly suppressed by magnetic interactions and/or hybridization of valence bands between d electrons of the A- and B-site cations.  
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  Corporate Author Thesis  
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  Language Wos 000526300600046 Publication Date 2020-03-27  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0002-7863 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 15 Times cited 1 Open Access Not_Open_Access  
  Notes ; This work was supported by the National Science Foundation of China (NSFC-21875287), the Program for Guangdong Introducing Innovative and Entrepreneurial Teams (2017ZT07C069), and an NSF-DMR-1507252 grant (U.S.). Use of the NSLS, Brookhaven National Laboratory, was supported by the DOE BES (DE-AC02-98CH10886). M.R. is thankful for the Spanish Juan de la Cierva grant FPDI-2013-17582. Y.Z. and D.-X.Y. are supported by NKRDPC-2018YFA0306001, NKRDPC-2017YFA0206203, NSFC-11974432, NSFG-2019A1515011337, the National Supercomputer Center in Guangzhou, and the Leading Talent Program of Guangdong Special Projects. Work on IOP, CAS, was supported by NSFC and MOST grants. A portion of this research at ORNL's Spallation Neutron Source was sponsored by the Scientific User Facilities Division, Office of Basic Energy Sciences, U.S. Department of Energy. J.H. and M.H. thank the FWO for support for the electron microscopy studies through grant G035619N. We thank beamline BL14B1 (Shanghai Synchrotron Radiation Facility) for providing beam time and help during the experiments. ; Approved Most recent IF: 15; 2020 IF: 13.858  
  Call Number UA @ admin @ c:irua:170294 Serial 6646  
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Author Sun, C.; Liao, X.; Xia, F.; Zhao, Y.; Zhang, L.; Mu, S.; Shi, S.; Li, Y.; Peng, H.; Van Tendeloo, G.; Zhao, K.; Wu, J. pdf  doi
openurl 
  Title High-voltage cycling induced thermal vulnerability in LiCoO₂ cathode : cation loss and oxygen release driven by oxygen vacancy migration Type A1 Journal article
  Year 2020 Publication Acs Nano Abbreviated Journal Acs Nano  
  Volume 14 Issue 5 Pages 6181-6190  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The release of the lattice oxygen due to the thermal degradation of layered lithium transition metal oxides is one of the major safety concerns in Li-ion batteries. The oxygen release is generally attributed to the phase transitions from the layered structure to spinel and rocksalt structures that contain less lattice oxygen. Here, a different degradation pathway in LiCoO2 is found, through oxygen vacancy facilitated cation migration and reduction. This process leaves undercoordinated oxygen that gives rise to oxygen release while the structure integrity of the defect-free region is mostly preserved. This oxygen release mechanism can be called surface degradation due to the kinetic control of the cation migration but has a slow surface to bulk propagation with continuous loss of the surface cation ions. It is also strongly correlated with the high-voltage cycling defects that end up with a significant local oxygen release at low temperatures. This work unveils the thermal vulnerability of high-voltage Li-ion batteries and the critical role of the surface fraction as a general mitigating approach.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000537682300101 Publication Date 2020-04-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1936-0851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 17.1 Times cited 8 Open Access Not_Open_Access  
  Notes ; C.S., X.L., and F.X. contributed equally to this work. This work was supported by the National Natural Science Foundation of China (21905169). The S/TEM work was performed at the Nanostructure Research Center (NRC), which is supported by the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX), the State Key Laboratory of Advanced Technology for Materials Synthesis and Processing, and the State Key Laboratory of Silicate Materials for Architectures (all of the laboratories are at Wuhan University of Technology). ; Approved Most recent IF: 17.1; 2020 IF: 13.942  
  Call Number UA @ admin @ c:irua:170246 Serial 6537  
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Author Lu, Y.; Liu, X.-L.; He, L.; Zhang, Y.-X.; Hu, Z.-Y.; Tian, G.; Cheng, X.; Wu, S.-M.; Li, Y.-Z.; Yang, X.-H.; Wang, L.-Y.; Liu, J.-W.; Janiak, C.; Chang, G.-G.; Li, W.-H.; Van Tendeloo, G.; Yang, X.-Y.; Su, B.-L. pdf  doi
openurl 
  Title Spatial heterojunction in nanostructured TiO₂ and its cascade effect for efficient photocatalysis Type A1 Journal article
  Year 2020 Publication Nano Letters Abbreviated Journal Nano Lett  
  Volume 20 Issue 5 Pages 3122-3129  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract A highly efficient photoenergy conversion is strongly dependent on the cumulative cascade efficiency of the photogenerated carriers. Spatial heterojunctions are critical to directed charge transfer and, thus, attractive but still a challenge. Here, a spatially ternary titanium-defected TiO2@carbon quantum dots@reduced graphene oxide (denoted as V-Ti@CQDs@rGO) in one system is shown to demonstrate a cascade effect of charges and significant performances regarding the photocurrent, the apparent quantum yield, and photocatalysis such as H-2 production from water splitting and CO2 reduction. A key aspect in the construction is the technologically irrational junction of Ti-vacancies and nanocarbons for the spatially inside-out heterojunction. The new “spatial heterojunctions” concept, characteristics, mechanism, and extension are proposed at an atomic- nanoscale to clarify the generation of rational heterojunctions as well as the cascade electron transfer.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000535255300024 Publication Date 2020-04-28  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited 5 Open Access Not_Open_Access  
  Notes ; This work was supported by the joint National Natural Science Foundation of China-Deutsche Forschungsgemeinschaft (NSFC-DFG) project (NSFC grant 51861135313, DFG JA466/39-1), Fundamental Research Funds for the Central Universities (19lgpy113, 19lgzd16), Program for Changjiang Scholars and Innovative Research Team in University (IRT_15R52) and Jilin Province Science and Technology Development Plan (20180101208JC). ; Approved Most recent IF: 10.8; 2020 IF: 12.712  
  Call Number UA @ admin @ c:irua:170263 Serial 6608  
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Author Wang, H.; Su, L.; Yagmurcukardes, M.; Chen, J.; Jiang, Y.; Li, Z.; Quan, A.; Peeters, F.M.; Wang, C.; Geim, A.K.; Hu, S. pdf  doi
openurl 
  Title Blue energy conversion from holey-graphene-like membranes with a high density of subnanometer pores Type A1 Journal article
  Year 2020 Publication Nano Letters Abbreviated Journal Nano Lett  
  Volume 20 Issue 12 Pages 8634-8639  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)  
  Abstract Blue energy converts the chemical potential difference from salinity gradients into electricity via reverse electrodialysis and provides a renewable source of clean energy. To achieve high energy conversion efficiency and power density, nanoporous membrane materials with both high ionic conductivity and ion selectivity are required. Here, we report ion transport through a network of holey-graphene-like sheets made by bottom-up polymerization. The resulting ultrathin membranes provide controlled pores of <10 angstrom in diameter with an estimated density of about 10(12) cm(-2). The pores' interior contains NH2 groups that become electrically charged with varying pH and allow tunable ion selectivity. Using the holey-graphene-like membranes, we demonstrate power outputs reaching hundreds of watts per square meter. The work shows a viable route toward creating membranes with high-density angstrom-scale pores, which can be used for energy generation, ion separation, and related technologies.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000599507100032 Publication Date 2020-11-12  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1530-6984 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 10.8 Times cited 43 Open Access  
  Notes ; The authors acknowledge supported from National Key Research and Development Program of China (2019YFA0705400, 2018YFA0209500), and National Natural Science Foundation of China (21972121, 21671162). M. Y. acknowledges the Flemish Science Foundation (FWO-Vl) postdoctoral fellowship. ; Approved Most recent IF: 10.8; 2020 IF: 12.712  
  Call Number UA @ admin @ c:irua:175048 Serial 6685  
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Author Ghorbanfekr, H.; Behler, J.; Peeters, F.M. pdf  doi
openurl 
  Title Insights into water permeation through hBN nanocapillaries by ab initio machine learning molecular dynamics simulations Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry Letters Abbreviated Journal J Phys Chem Lett  
  Volume 11 Issue 17 Pages 7363-7370  
  Keywords A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT); Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Water permeation between stacked layers of hBN sheets forming 2D nanochannels is investigated using large-scale ab initio-quality molecular dynamics simulations. A high-dimensional neural network potential trained on density-functional theory calculations is employed. We simulate water in van der Waals nanocapillaries and study the impact of nanometric confinement on the structure and dynamics of water using both equilibrium and nonequilibrium methods. At an interlayer distance of 10.2 A confinement induces a first-order phase transition resulting in a well-defined AA-stacked bilayer of hexagonal ice. In contrast, for h < 9 A, the 2D water monolayer consists of a mixture of different locally ordered patterns of squares, pentagons, and hexagons. We found a significant change in the transport properties of confined water, particularly for monolayer water where the water-solid friction coefficient decreases to half and the diffusion coefficient increases by a factor of 4 as compared to bulk water. Accordingly, the slip-velocity is found to increase under confinement and we found that the overall permeation is dominated by monolayer water adjacent to the hBN membranes at extreme confinements. We conclude that monolayer water in addition to bilayer ice has a major contribution to water transport through 2D nanochannels.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000569375400061 Publication Date 2020-08-10  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1948-7185 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 5.7 Times cited 35 Open Access  
  Notes ; This work was supported by the Flemish Science Foundation (FWO-Vl) and the Methusalem program (Grant Number: G099219N). The authors thank Arham Amouei for the helpful discussion regarding MD simulations. ; Approved Most recent IF: 5.7; 2020 IF: 9.353  
  Call Number UA @ admin @ c:irua:171996 Serial 6546  
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Author Mehta, A.N.; Mo, J.; Pourtois, G.; Dabral, A.; Groven, B.; Bender, H.; Favia, P.; Caymax, M.; Vandervorst, W. pdf  doi
openurl 
  Title Grain-boundary-induced strain and distortion in epitaxial bilayer MoS₂ lattice Type A1 Journal article
  Year 2020 Publication Journal Of Physical Chemistry C Abbreviated Journal J Phys Chem C  
  Volume 124 Issue 11 Pages 6472-6478  
  Keywords A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)  
  Abstract Grain boundaries between 60 degrees rotated and twinned crystals constitute the dominant type of extended line defects in two-dimensional transition metal dichalcogenides (2D MX2) when grown on a single crystalline template through van der Waals epitaxy. The two most common 60 degrees grain boundaries in MX2 layers, i.e., beta- and gamma-boundaries, introduce distinct distortion and strain into the 2D lattice. They impart a localized tensile or compressive strain on the subsequent layer, respectively, due to van der Waals coupling in bilayer MX2 as determined by combining atomic resolution electron microscopy, geometric phase analysis, and density functional theory. Based on these observations, an alternate route to strain engineering through controlling intrinsic van der Waals forces in homobilayer MX2 is proposed. In contrast to the commonly used external means, this approach enables the localized application of strain to tune the electronic properties of the 2D semiconducting channel in ultra-scaled nanoelectronic applications.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000526396000067 Publication Date 2020-02-21  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1932-7447; 1932-7455 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.7 Times cited 2 Open Access  
  Notes ; ; Approved Most recent IF: 3.7; 2020 IF: 4.536  
  Call Number UA @ admin @ c:irua:168625 Serial 6528  
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Author Rowenczyk, L.; Dazzi, A.; Deniset-Besseau, A.; Beltran, V.; Goudounèche, D.; Wong-Wah-Chung, P.; Boyron, O.; George, M.; Fabre, P.; Roux, C.; Mingotaud, A.F.; ter Halle, A. pdf  doi
openurl 
  Title Microstructure characterization of oceanic polyethylene debris Type A1 Journal article
  Year 2020 Publication Environmental Science & Technology Abbreviated Journal Environ Sci Technol  
  Volume 54 Issue 7 Pages 4102-4109  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Plastic pollution has become a worldwide concern. It was demonstrated that plastic breaks down to nanoscale particles in the environment, forming so-called nanoplastics. It is important to understand their ecological impact, but their structure is not elucidated. In this original work, we characterize the microstructure of oceanic polyethylene debris and compare it to the nonweathered objects. Cross sections are analyzed by several emergent mapping techniques. We highlight deep modifications of the debris within a layer a few hundred micrometers thick. The most intense modifications are macromolecule oxidation and a considerable decrease in the molecular weight. The adsorption of organic pollutants and trace metals is also confined to this outer layer. Fragmentation of the oxidized layer of the plastic debris is the most likely source of nanoplastics. Consequently the nanoplastic chemical nature differs greatly from plastics.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000526418000041 Publication Date 2020-03-09  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0013-936x; 1520-5851 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 11.4 Times cited 3 Open Access  
  Notes ; Foundation and The French National Reaserch Program for Environmental and Occupational Health of Anses (EST/2017/1/219). We thank the 7th Continent Expedition Association, as well as the staff and crew, for the sea sampling campaign. ; Approved Most recent IF: 11.4; 2020 IF: 6.198  
  Call Number UA @ admin @ c:irua:172890 Serial 6560  
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Author Newsome, G.A.; Kavich, G.; Alvarez-Martin, A. pdf  doi
openurl 
  Title Interface for reproducible, multishot direct analysis of solid-phase microextraction samples Type A1 Journal article
  Year 2020 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 92 Issue 6 Pages 4182-4186  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract An enclosed interface that joins a direct analysis in real time (DART) probe, solid-phase microextraction (SPME) fiber, and the inlet of a high-resolution mass spectrometer is described. Unlike other systems to couple SPME sampling to ambient mass spectrometry, the interface is able to perform discrete analyses on different areas of a single SPME fiber device for up to three technical replicate measurements of one sampling event. Inlet flow speed and desorption temperature are optimized, and reproducibility is demonstrated between replicate analyses on the same derivatized SPME fiber and with sequential fiber sampling events, yielding analyte measurement center of variance (CV) from 3 to 6%. Conditioning is also performed with the enclosed DART. The interface is a straightforward addition to commercially available technologies, and machine diagrams for custom components operated with SPME/DART/MS equipment are included.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000526563900004 Publication Date 2020-02-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 7.4 Times cited Open Access  
  Notes Approved Most recent IF: 7.4; 2020 IF: 6.32  
  Call Number UA @ admin @ c:irua:181926 Serial 8113  
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Author Liu, Y.; Cánovas, R.; Crespo, G.A.; Cuartero, M. doi  openurl
  Title Thin-layer potentiometry for creatinine detection in undiluted human urine using ion-exchange membranes as barriers for charged interferences Type A1 Journal article
  Year 2020 Publication Analytical Chemistry Abbreviated Journal Anal Chem  
  Volume 92 Issue 4 Pages 3315-3323  
  Keywords A1 Journal article; Engineering sciences. Technology; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)  
  Abstract Herein, thin-layer potentiometry combined with ion-exchange membranes as barriers for charged interferences is demonstrated for the analytical detection of creatinine (CRE) in undiluted human urine. Briefly, CRE diffuses through an anion-exchange membrane (AEM) from a sample contained in one fluidic compartment to a second reservoir, containing the enzyme CRE deiminase. There, CRE reacts with the enzyme, and the formation of ammonium is dynamically monitored by potentiometric ammonium-selective electrodes. This analytical concept is integrated into a lab-on-a-chip microfluidic cell that allows for a high sample throughput and the operation under stop-flow mode, which allows CRE to passively diffuse across the AEM. Conveniently, positively charged species (i.e., potassium, sodium, and ammonium, among others) are repelled by the AEM and never reach the ammonium-selective electrodes; thus, possible interference in the response can be avoided. As a result, the dynamic potential response of the electrodes is entirely ascribed to the stoichiometric formation of ammonium. The new CRE biosensor exhibits a Nernstian slope, within a linear range of response from 1 to 50 mM CRE concentration. As expected, the response time (15–60 min) primarily depends on the CRE diffusion across the AEM. CRE analysis in urine samples displayed excellent results, without requiring sample pretreatment (before the introduction of the sample in the microfluidic chip) and with high compatibility with development into a potential point-of-care clinical tool. In an attempt to decrease the analysis time, the presented analytical methodology for CRE detection is translated into an all-solid-state platform, in which the enzyme is immobilized on the surface of the ammonium-selective electrode and with the AEM on top. While more work is necessary in this direction, the CRE sensor appears to be promising for CRE analysis in both urine and blood.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-01-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0003-2700; 5206-882x ISBN Additional Links UA library record  
  Impact Factor 7.4 Times cited Open Access  
  Notes Approved Most recent IF: 7.4; 2020 IF: 6.32  
  Call Number UA @ admin @ c:irua:184380 Serial 8667  
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Author De Paepe, J.; De Paepe, K.; Gòdia, F.; Rabaey, K.; Vlaeminck, S.E.; Clauwaert, P. pdf  doi
openurl 
  Title Bio-electrochemical COD removal for energy-efficient, maximum and robust nitrogen recovery from urine through membrane aerated nitrification Type A1 Journal article
  Year 2020 Publication Water Research Abbreviated Journal Water Res  
  Volume 185 Issue Pages 116223  
  Keywords A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Resource recovery from source-separated urine can shorten nutrient cycles on Earth and is essential in regenerative life support systems for deep-space exploration. In this study, a robust two-stage, energy-efficient, gravity-independent urine treatment system was developed to transform fresh real human urine into a stable nutrient solution. In the first stage, up to 85% of the COD was removed in a microbial electrolysis cell (MEC), converting part of the energy in organic compounds (27-46%) into hydrogen gas and enabling full nitrogen recovery by preventing nitrogen losses through denitrification in the second stage. Besides COD removal, all urea was hydrolysed in the MEC, resulting in a stream rich in ammoniacal nitrogen and alkalinity, and low in COD. This stream was fed into a membrane-aerated biofilm reactor (MABR) in order to convert the volatile and toxic ammoniacal nitrogen to non-volatile nitrate by nitrification. Bio-electrochemical pre-treatment allowed to recover all nitrogen as nitrate in the MABR at a bulk-phase dissolved oxygen level below 0.1 mg O2 L-1. In contrast, feeding the MABR directly with raw urine (omitting the first stage), at the same nitrogen loading rate, resulted in nitrogen loss (18%) due to denitrification. The MEC and MABR were characterised by very distinct and diverse microbial communities. While (strictly) anaerobic genera, such as Geobacter (electroactive bacteria), Thiopseudomonas, a Lentimicrobiaceae member, Alcaligenes and Proteiniphilum prevailed in the MEC, the MABR was dominated by aerobic genera, including Nitrosomonas (a known ammonium oxidiser), Moheibacter and Gordonia. The two-stage approach yielded a stable nitrate-rich, COD-low nutrient solution, suitable for plant and microalgae cultivation.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000580639800035 Publication Date 2020-07-23  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0043-1354 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 12.8 Times cited Open Access  
  Notes Approved Most recent IF: 12.8; 2020 IF: 6.942  
  Call Number UA @ admin @ c:irua:170524 Serial 6461  
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Author Gorji, S.; Kashiwar, A.; Mantha, L.S.; Kruk, R.; Witte, R.; Marek, P.; Hahn, H.; Kübel, C.; Scherer, T. doi  openurl
  Title Nanowire facilitated transfer of sensitive TEM samples in a FIB Type A1 Journal article
  Year 2020 Publication Ultramicroscopy Abbreviated Journal Ultramicroscopy  
  Volume 219 Issue Pages 113075  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract We introduce a facile approach to transfer thin films and other mechanically sensitive TEM samples inside a FIB with minimal introduction of stress and bending. The method is making use of a pre-synthetized flexible freestanding Ag nanowire attached to the tip of a typical tungsten micromanipulator inside the FIB. The main advantages of this approach are the significantly reduced stress-induced bending during transfer and attachment of the TEM sample, the very short time required to attach and cut the nanowire, the operation at very low dose and ion current, and only using the e-beam for Pt deposition during the transfer of sensitive TEM samples. This results in a reduced sample preparation time and reduced exposure to the ion beam or e-beam for Pt deposition during the sample preparation and thus also reduced contamination and beam damage. The method was applied to a number of thin films and different TEM samples in order to illustrate the advantageous benefits of the concept. In particular, the technique has been successfully tested for the transfer of a thin film onto a MEMS heating chip for in situ TEM experiments.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos Publication Date 2020-07-15  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0304-3991 ISBN Additional Links UA library record  
  Impact Factor 2.2 Times cited Open Access  
  Notes Approved Most recent IF: 2.2; 2020 IF: 2.843  
  Call Number UA @ admin @ c:irua:183618 Serial 6871  
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Author Koch, K.; Ysebaert, T.; Denys, S.; Samson, R. pdf  doi
openurl 
  Title Urban heat stress mitigation potential of green walls: A review Type A1 Journal article
  Year 2020 Publication Urban Forestry & Urban Greening Abbreviated Journal Urban For Urban Gree  
  Volume 55 Issue Pages 126843-13  
  Keywords A1 Journal article; Engineering sciences. Technology; Art; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract Cities with resilience to climate change appear to be a vision of the future, but are inevitable to ensure the quality of life for citizens and to avoid an increase in civilian mortality. Urban green infrastructure (UGI), with the focus on vertical green, poses a beneficial mitigation and adaptation strategy for challenges such as climate change through cooling effects on building and street level. This review article explores recent literature regarding this considerable topic and investigates how green walls can be applied to mitigate this problem. Summary tables (see additional information) and figures are presented that can be used by policy makers and researchers to make informed decisions when installing green walls in built-up environments. At last, knowledge gaps are uncovered that need further investigation to exploit the benefits at its best.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000593921600001 Publication Date 2020-09-25  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1618-8667 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 6.4 Times cited Open Access  
  Notes Approved Most recent IF: 6.4; 2020 IF: 2.113  
  Call Number UA @ admin @ c:irua:172985 Serial 6650  
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Author Wuyts, W.; Marin, J.; Brusselaers, J.; Vrancken, K. pdf  doi
openurl 
  Title Circular economy as a COVID-19 cure? Type A1 Journal article
  Year 2020 Publication Resources Conservation And Recycling Abbreviated Journal Resour Conserv Recy  
  Volume 162 Issue Pages 105016-2  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000569614800012 Publication Date 2020-06-17  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.2 Times cited 3 Open Access  
  Notes ; Part of this work was financially supported by the Research Foundation – Flanders (FWO), Belgium and the Ministry of Education, Culture, Sports, Science, and Technology (MEXT), Japan. We want to thank Lynne Stearman Falick and the editor for proofreading and providing comments on previous drafts. ; Approved Most recent IF: 13.2; 2020 IF: 3.313  
  Call Number UA @ admin @ c:irua:171912 Serial 6469  
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Author Parchomenko, A.; Nelen, D.; Gillabel, J.; Vrancken, K.C.M.; Rechberger, H. pdf  doi
openurl 
  Title Evaluation of the resource effectiveness of circular economy strategies through multilevel statistical entropy analysis Type A1 Journal article
  Year 2020 Publication Resources Conservation And Recycling Abbreviated Journal Resour Conserv Recy  
  Volume 161 Issue Pages 104925-16  
  Keywords A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)  
  Abstract In a circular economy (CE), materials, components and products should be kept at the highest level of functionality, while phenomena like dilution, mixing and contamination, often referred to as the loss of resources, should be avoided. One method that can assess the performance of systems to concentrate or avoid dilution of resources is Statistical Entropy Analysis (SEA). Up till now, the method has been applied on the substance level (elements and compounds) only, but showed its applicability to various scales and a variety of systems. Further development of the method allowed to consider information on the product, component and material levels, which makes the method applicable to different combinations of CE strategies, both destructive (e.g. recycling) and non-destructive (e.g. reuse). The method is demonstrated on a simplified vehicle life-cycle, which is modeled through four component groups and six materials. It shows that the method allows to evaluate different CE strategies and identify critical stages which lead to the most severe resource and functionality losses. Based on the methods results, it is possible to determine a perfect circularity reference level, representing a system state that preserves functionality and avoids resource losses. The introduction of a circularity reference level enables the establishment of a framework for resource effectiveness in which diluting and concentrating effects of activities (e.g. sorting) are quantified. The distance of a system to an ideal circular state determines the deviation from a resource-effective system that maintains the original product functionality over a maximum period of time, with minimal efforts.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000569610400032 Publication Date 2020-06-20  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0921-3449 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 13.2 Times cited Open Access  
  Notes ; The authors would like to acknowledge the support of Prof. David Laner for his valuable inputs, as well as the financial support of Vito (Flemish Institute for Technological Research) and Altstoff Recycling Austria AG (ARA). ; Approved Most recent IF: 13.2; 2020 IF: 3.313  
  Call Number UA @ admin @ c:irua:171925 Serial 6512  
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Author Bafekry, A. doi  openurl
  Title Graphene-like BC₆N single-layer: tunable electronic and magnetic properties via thickness, gating, topological defects, and adatom/molecule Type A1 Journal article
  Year 2020 Publication Physica E-Low-Dimensional Systems & Nanostructures Abbreviated Journal Physica E  
  Volume 118 Issue Pages 113850-15  
  Keywords A1 Journal article; Condensed Matter Theory (CMT)  
  Abstract By using density functional theory-based first-principles calculations, we investigate the structural, electronic, optical, and transport properties of pristine single-layer BC6N. Under different external actions and functionalization. Increasing the thickness of the structure results in a decrease of the band gap. Applying a perpendicular electric field decreases the band gap and a semiconductor-to-topological insulator transition is revealed. Uniaxial and biaxial strains of +8% result in a semiconductor-to-metal transition. Nanoribbons of BC6N having zigzag edge with even (odd) values of widths, become metal (semiconductor), while the armchair edge nanoribbons exhibit robust semiconducting behavior. In addition, we systematically investigate the effect of surface adatom and molecule, substitutional impurity and defect engineering on the electronic properties of single-layer BC6N and found transitions from metal to half-metal, to ferromagnetic metal, to dilute magnetic semiconductor, and even to spin-glass semiconductor. Furthermore we found that, topological defects including vacancies and Stone–Wales type, induce magnetism in single-layer BC6N.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000515321700032 Publication Date 2019-12-04  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1386-9477 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3.3 Times cited 30 Open Access  
  Notes ; ; Approved Most recent IF: 3.3; 2020 IF: 2.221  
  Call Number UA @ admin @ c:irua:169750 Serial 6530  
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Author Mortazavi, B.; Bafekry, A.; Shahrokhi, M.; Rabczuk, T.; Zhuang, X. pdf  doi
openurl 
  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  
  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.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000539083500049 Publication Date 2020-02-21  
  Series Editor Series Title Abbreviated Series Title  
  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 Álvarez-Martín, A.; De Winter, S.; Nuyts, G.; Hermans, J.; Janssens, K.; van der Snickt, G. pdf  doi
openurl 
  Title Multi-modal approach for the characterization of resin carriers in Daylight Fluorescent Pigments Type A1 Journal article
  Year 2020 Publication Microchemical Journal Abbreviated Journal Microchem J  
  Volume 159 Issue Pages 105340  
  Keywords A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation); Antwerp Cultural Heritage Sciences (ARCHES)  
  Abstract Almost seventy years after artists such as Frank Stella (1936), Andy Warhol (1928-1987), James Rosenquist (1933-2017), Herb Aach (1923-1985) and Richard Bowman (1918-2001) started to incorporate Daylight Fluorescent Pigments (DFPs) in their artworks, the extent of the conservation problems that are associated with these pigments has increased progressively. Since their first appearance on the market, their composition has constantly been improved in terms of permanency. However, conservation practices on the artworks that are used in, are complicated by the fact that the composition of DFPs is proprietary and the information provided by the manufactures is limited. To be able to propose adequate conservation strategies for artworks containing DFPs, a thorough understanding of the DFPs composition must be acquired. In contrast with previous research that concentrated on identification of the coloring dye, this paper focuses on the characterization of the resin, used as the carrier for the dye. The proposed approach, involving ATR-FTIR, SPME-GC-MS and XRF analysis, provided additional insights on the organic and inorganic components of the resin. Using this approach, we investigated historical DFPs and new formulations, as well as different series from the main manufacturing companies (DayGlo, Swada, Radiant Color and Kremer) in order to obtain a full characterization of DFPs used by the artists along the years. First, the initial PCA-assisted ATR-FTIR spectroscopy allowed for an efficient classification of the main monomers in the resin polymer. Next, a further distinction was made by mass spectrometry and XRF which were optimized to allow a more specific classification of the resin and for detection of additives. In this paper we show the potential of SPME-GC-MS, never applied for the characterization of artistic materials, at present undervalued for heritage science purposes. We anticipate that this information will be highly relevant in the future stability studies and for defining (preventive) conservation strategies of fluorescent artworks.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000598761400009 Publication Date 2020-07-30  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0026-265x; 0026-265x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.8 Times cited Open Access  
  Notes Approved Most recent IF: 4.8; 2020 IF: 3.034  
  Call Number UA @ admin @ c:irua:175083 Serial 8286  
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Author Zhao, Z.X.; Ma, X.; Cao, S.; Li, Y.Y.; Zeng, C.Y.; Wang, D.X.; Yao, X.; Deng, Z.J.; Zhang, X.P. pdf  doi
openurl 
  Title Identification of nano-width variants in a fully monoclinic martensitic Ni50Ti50 alloy by scanning electron microscope-based transmission Kikuchi diffraction and improved groupoid structure approach Type A1 Journal article
  Year 2020 Publication Materials Letters Abbreviated Journal Mater Lett  
  Volume 281 Issue Pages 128624  
  Keywords A1 Journal article; Electron microscopy for materials research (EMAT)  
  Abstract Nano-width martensite plates in a fully martensitic Ni50Ti50 alloy are indexed successfully by using the off-axis transmission Kikuchi diffraction in scanning electron microscope (i.e., SEM-based TKD). The data obtained by SEM-TKD are effectively interpreted using an improved approach based on the framework of the theoretical groupoid structure method, where the equivalent variants transformed from the monoclinic variants are introduced to calculate all theoretical axis/angle pairs of rotation, and to formulate a complete list of source martensite to target martensite pairs. Consequently, B19' monoclinic martensite variants in NiTi alloys are identified unambiguously, by using numerical comparison between the experimental and theoretical rotation components, without the reference of retained parent phase. (C) 2020 Elsevier B.V. All rights reserved.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000581134200033 Publication Date 2020-09-07  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 0167-577x ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 3 Times cited Open Access Not_Open_Access  
  Notes ; This work was supported by National Natural Science Foundation of China under Grant Nos. 51571092 and 51401081, and Guangdong Provincial Natural Science Foundation under Grant Nos. 2018B0303110012 and 2017A030313323. ; Approved Most recent IF: 3; 2020 IF: 2.572  
  Call Number UA @ admin @ c:irua:173509 Serial 6540  
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Author Wei, P.; Ke, B.; Xing, L.; Li, C.; Ma, S.; Nie, X.; Zhu, W.; Sang, X.; Zhang, Q.; Van Tendeloo, G.; Zhao, W. pdf  doi
openurl 
  Title Atomic-resolution interfacial structures and diffusion kinetics in Gd/Bi0.5Sb1.5Te3 magnetocaloric/thermoelectric composites Type A1 Journal article
  Year 2020 Publication Materials Characterization Abbreviated Journal Mater Charact  
  Volume 163 Issue Pages 110240-110248  
  Keywords A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)  
  Abstract The demand of a full solid-state cooling technology based on magnetocaloric and thermoelectric effects has led to a growing interest in screening candidate materials with high-efficiency cooling performance, which also stimulates the exploration of magnetocaloric/thermoelectric hybrid cooling materials. A series of Gd/Bi0.5Sb1.5Te3 composites was fabricated in order to develop the hybrid cooling technology. The chemical composition, phase structure and diffusion kinetics across the reaction layers in Gd/Bi0.5Sb1.5Te3 composites were analyzed at different reaction temperatures. Micro-area elemental analysis indicates that the formation of interfacial phases is dominated by the diffusion of Gd and Te while the diffusion of Bi and Sb is impeded. The interfacial phases, including GdTe2, GdTe3, and intermediate phases GdTex, are identified by atomic-resolution electron microscopy. The concentration modulation of Gd and Te is adapted by altering the stacking of the Te square-net sheets and the corrugated GdTe sheets. Boltzmann-Marano analysis was applied to reveal the diffusion kinetics of Gd and Te in the interfacial layers. The diffusion coefficients of Te in GdTe2 and GdTe3 are much higher than that of Gd while in GdTe the situation is reversed. This study provides a clear picture to understand the interfacial phase structures down to an atomic scale as well as the interfacial diffusion kinetics in Gd/Bi0.5Sb1.5Te3 hybrid cooling materials.  
  Address  
  Corporate Author Thesis  
  Publisher Place of Publication Editor  
  Language Wos 000551341700045 Publication Date 2020-03-03  
  Series Editor Series Title Abbreviated Series Title  
  Series Volume Series Issue Edition  
  ISSN 1044-5803 ISBN Additional Links UA library record; WoS full record; WoS citing articles  
  Impact Factor 4.7 Times cited 1 Open Access Not_Open_Access  
  Notes ; This work was supported by National Natural Science Foundation of China (Nos. 91963122, 11834012, 51620105014, 51521001, 51902237), National Key Research and Development Program of China (No. 2018YFB0703603), the Fundamental Research Funds for the Central Universities (WUT: 2019III012GX, 183101006). XRD and EPMA experiments were performed at the Center for Materials Research and Testing of Wuhan University of Technology. ; Approved Most recent IF: 4.7; 2020 IF: 2.714  
  Call Number UA @ admin @ c:irua:171317 Serial 6456  
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