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“Decoupling the Characteristics of Magnetic Nanoparticles for Ultrahigh Sensitivity”. Chowdhury MS, Rösch EL, Esteban DA, Janssen K-J, Wolgast F, Ludwig F, Schilling M, Bals S, Viereck T, Lak A, Nano letters 23, 58 (2023). http://doi.org/10.1021/acs.nanolett.2c03568
Abstract: Immunoassays exploiting magnetization dynamics of magnetic nanoparticles are highly promising for mix-and-measure, quantitative, and point-of-care diagnostics. However, how single-core magnetic nanoparticles can be employed to reduce particle concentration and concomitantly maximize assay sensitivity is not fully understood. Here, we design monodisperse Néel and Brownian relaxing magnetic nanocubes (MNCs) of different sizes and compositions. We provide insights into how to decouple physical properties of these MNCs to achieve ultrahigh sensitivity. We find that tri-component-based Zn0.06 Co0.80Fe2.14 O4 particles, with out-of-phase to initial magnetic susceptibility χ /χ ratio of 0.47 out of 0.50 for magnetically blocked ideal particles, show the ultrahigh magnetic sensitivity by providing rich magnetic particle spectroscopy (MPS) harmonics spectrum despite bearing lower saturation magnetization than di-component Zn0.1Fe2.9O4 having high saturation magnetization. The Zn0.06Co0.80Fe2.14O4 MNCs, coated with catechol-based polyethylene glycol ligands, measured by our benchtop MPS show three orders of magnitude better particle LOD than that of commercial nanoparticles of comparable size.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 10.8
Times cited: 1
DOI: 10.1021/acs.nanolett.2c03568
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“Real-time tilt undersampling optimization during electron tomography of beam sensitive samples using golden ratio scanning and RECAST3D”. Craig TM, Kadu AA, Batenburg KJ, Bals S, Nanoscale 15, 5391 (2023). http://doi.org/10.1039/D2NR07198C
Abstract: Electron tomography is a widely used technique for 3D structural analysis of nanomaterials, but it can cause damage to samples due to high electron doses and long exposure times. To minimize such damage, researchers often reduce beam exposure by acquiring fewer projections through tilt undersampling. However, this approach can also introduce reconstruction artifacts due to insufficient sampling. Therefore, it is important to determine the optimal number of projections that minimizes both beam exposure and undersampling artifacts for accurate reconstructions of beam-sensitive samples. Current methods for determining this optimal number of projections involve acquiring and post-processing multiple reconstructions with different numbers of projections, which can be time-consuming and requires multiple samples due to sample damage. To improve this process, we propose a protocol that combines golden ratio scanning and quasi-3D reconstruction to estimate the optimal number of projections in real-time during a single acquisition. This protocol was validated using simulated and realistic nanoparticles, and was successfully applied to reconstruct two beam-sensitive metal–organic framework complexes.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 6.7
Times cited: 1
DOI: 10.1039/D2NR07198C
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“Hybrid core–shell nanoparticles for cell-specific magnetic separation and photothermal heating”. de la Encarnación C, Jungwirth F, Vila-Liarte D, Renero-Lecuna C, Kavak S, Orue I, Wilhelm C, Bals S, Henriksen-Lacey M, Jimenez de Aberasturi D, Liz-Marzán LM, Journal of materials chemistry B : materials for biology and medicine (2023). http://doi.org/10.1039/D3TB00397C
Abstract: Hyperthermia, as the process of heating a malignant site above 42 °C to trigger cell death, has emerged as an effective and selective cancer therapy strategy. Various modalities of hyperthermia have been proposed, among which magnetic and photothermal hyperthermia are known to benefit from the use of nanomaterials. In this context, we introduce herein a hybrid colloidal nanostructure comprising plasmonic gold nanorods (AuNRs) covered by a silica shell, onto which iron oxide nanoparticles (IONPs) are subsequently grown. The resulting hybrid nanostructures are responsive to both external magnetic fields and near-infrared irradiation. As a result, they can be applied for the targeted magnetic separation of selected cell populations – upon targeting by antibody functionalization – as well as for photothermal heating. Through this combined functionality, the therapeutic effect of photothermal heating can be enhanced. We demonstrate both the fabrication of the hybrid system and its application for targeted photothermal hyperthermia of human glioblastoma cells.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 7
Times cited: 1
DOI: 10.1039/D3TB00397C
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“Vacancy clustering effect on the electronic and transport properties of bilayer graphene nanoribbons”. Miranda LP, da Costa DR, Peeters FM, Costa Filho RN, Nanotechnology 34, 055706 (2023). http://doi.org/10.1088/1361-6528/AC9F50
Abstract: Experimental realizations of two-dimensional materials are hardly free of structural defects such as e.g. vacancies, which, in turn, modify drastically its pristine physical defect-free properties. In this work, we explore effects due to point defect clustering on the electronic and transport properties of bilayer graphene nanoribbons, for AA and AB stacking and zigzag and armchair boundaries, by means of the tight-binding approach and scattering matrix formalism. Evident vacancy concentration signatures exhibiting a maximum amplitude and an universality regardless of the system size, stacking and boundary types, in the density of states around the zero-energy level are observed. Our results are explained via the coalescence analysis of the strong sizeable vacancy clustering effect in the system and the breaking of the inversion symmetry at high vacancy densities, demonstrating a similar density of states for two equivalent degrees of concentration disorder, below and above the maximum value.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 3.5
Times cited: 1
DOI: 10.1088/1361-6528/AC9F50
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“Wave-packet propagation in a graphene geometric diode”. Andelkovic M, Rakhimov KY, Chaves A, Berdiyorov GR, Milošević, MV, Physica. E: Low-dimensional systems and nanostructures 147, 115607 (2023). http://doi.org/10.1016/J.PHYSE.2022.115607
Abstract: Dynamics of electron wave-packets is studied using the continuum Dirac model in a graphene geometric diode where the propagation of the wave packet is favored in certain direction due to the presence of geometric constraints. Clear rectification is obtained in the THz frequency range with the maximum rectification level of 3.25, which is in good agreement with recent experiments on graphene ballistic diodes. The rectification levels are considerably higher for systems with narrower channels. In this case, the wave packet transmission probabilities and rectification rate also strongly depend on the energy of the incident wave packet, as a result of the quantum nature of energy levels along such channels. These findings can be useful for fundamental understanding of the charge carrier dynamics in graphene geometry diodes.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 3.3
Times cited: 1
DOI: 10.1016/J.PHYSE.2022.115607
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“Exploring the effects of graphene and temperature in reducing electron beam damage: A TEM and electron diffraction-based quantitative study on Lead Phthalocyanine (PbPc) crystals”. Jain N, Hao Y, Parekh U, Kaltenegger M, Pedrazo-Tardajos A, Lazzaroni R, Resel R, Geerts YH, Bals S, Van Aert S, Micron 169, 103444 (2023). http://doi.org/10.1016/j.micron.2023.103444
Abstract: High-resolution transmission electron microscopy (TEM) of organic crystals, such as Lead Phthalocyanine (PbPc), is very challenging since these materials are prone to electron beam damage leading to the breakdown of the crystal structure during investigation. Quantification of the damage is imperative to enable high-resolution imaging of PbPc crystals with minimum structural changes. In this work, we performed a detailed electron diffraction study to quantitatively measure degradation of PbPc crystals upon electron beam irradiation. Our study is based on the quantification of the fading intensity of the spots in the electron diffraction patterns. At various incident dose rates (e/Å2/s) and acceleration voltages, we experimentally extracted the decay rate (1/s), which directly correlates with the rate of beam damage. In this manner, a value for the critical dose (e/Å2) could be determined, which can be used as a measure to quantify beam damage. Using the same methodology, we explored the influence of cryogenic temperatures, graphene TEM substrates, and graphene encapsulation in prolonging the lifetime of the PbPc crystal structure during TEM investigation. The knowledge obtained by diffraction experiments is then translated to real space high-resolution TEM imaging of PbPc.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.4
Times cited: 1
DOI: 10.1016/j.micron.2023.103444
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“Hf/porphyrin-based metal-organic framework PCN-224 for CO2 cycloaddition with epoxides”. Carrasco S, Orcajo G, Martínez F, Imaz I, Kavak S, Arenas-Esteban D, Maspoch D, Bals S, Calleja G, Horcajada P, Materials Today Advances 19, 100390 (2023). http://doi.org/10.1016/j.mtadv.2023.100390
Abstract: Herein, we describe for the first time the synthesis of the highly porous Hf-tetracarboxylate porphyrin-based metal-organic framework (MOF) (Hf)PCN-224(M) (M = H2, Co2+). (Hf)PCN-224(H2) was easily and efficiently prepared following a simple microwave-assisted procedure with good yields (56–67%; space-time yields: 1100–1270 kg m−3·day−1), high crystallinity and phase purity by using trifluoromethanesulfonic acid and benzoic acid as modulators in less than 30 min. By simply introducing a preliminary step (10 min), 5,10,15,20-(tetra-4-carboxyphenyl)porphyrin linker (TCPP) was quantitatively metalated with Co2+ without additional purification and/or time consuming protection/deprotection steps to further obtain (Hf)PCN-224(Co). (Hf)PCN-224(Co) was then tested as catalyst in CO2 cycloaddition reaction with different epoxides to yield cyclic carbonates, showing the best catalytic performance described to date compared to other PCNs, under mild conditions (1 bar CO2, room temperature, 18–24 h). Twelve epoxides were tested, obtaining from moderate to excellent conversions (35–96%). Moreover, this reaction was gram scaled-up (x50) without significant loss of yield to cyclic carbonates. (Hf)PCN-224(Co) maintained its integrity and crystallinity even after 8 consecutive runs, and poisoning was efficiently reverted by a simple thermal treatment (175 °C, 6 h), fully recovering the initial catalytic activity.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 10
Times cited: 1
DOI: 10.1016/j.mtadv.2023.100390
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“High-throughput characterization of single-quantum-dot emission spectra and spectral diffusion by multiparticle spectroscopy”. Mangnus MJJ, de Wit JW, Vonk SJW, Geuchies JJ, Albrecht W, Bals S, Houtepen AJ, Rabouw FT, ACS Photonics 10, 2688 (2023). http://doi.org/10.1021/ACSPHOTONICS.3C00420
Abstract: In recent years, quantum dots (QDs) have emerged as bright,color-tunablelight sources for various applications such as light-emitting devices,lasing, and bioimaging. One important next step to advance their applicabilityis to reduce particle-to-particle variations of the emission propertiesas well as fluctuations of a single QD's emission spectrum,also known as spectral diffusion (SD). Characterizing SD is typicallyinefficient as it requires time-consuming measurements at the single-particlelevel. Here, however, we demonstrate multiparticle spectroscopy (MPS)as a high-throughput method to acquire statistically relevant informationabout both fluctuations at the single-particle level and variationsat the level of a synthesis batch. In MPS, we simultaneously measureemission spectra of many (20-100) QDs with a high time resolution.We obtain statistics on single-particle emission line broadening fora batch of traditional CdSe-based core-shell QDs and a batchof the less toxic InP-based core-shell QDs. The CdSe-basedQDs show significantly narrower homogeneous line widths, less SD,and less inhomogeneous broadening than the InP-based QDs. The timescales of SD are longer in the InP-based QDs than in the CdSe-basedQDs. Based on the distributions and correlations in single-particleproperties, we discuss the possible origins of line-width broadeningof the two types of QDs. Our experiments pave the way to large-scale,high-throughput characterization of single-QD emission propertiesand will ultimately contribute to facilitating rational design offuture QD structures.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 7
Times cited: 1
DOI: 10.1021/ACSPHOTONICS.3C00420
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“Magnetic properties and critical behavior of magnetically intercalated WSe₂, : a theoretical study”. Reyntjens PD, Tiwari S, van de Put ML, Sorée B, Vandenberghe WG, 2d Materials 8, 025009 (2021). http://doi.org/10.1088/2053-1583/ABD1CC
Abstract: Transition metal dichalcogenides, intercalated with transition metals, are studied for their potential applications as dilute magnetic semiconductors. We investigate the magnetic properties of WSe2 doped with third-row transition metals (Co, Cr, Fe, Mn, Ti and V). Using density functional theory in combination with Monte Carlo simulations, we obtain an estimate of the Curie or Neel temperature. We find that the magnetic ordering is highly dependent on the dopant type. While Ti and Cr-doped WSe2 have a ferromagnetic ground state, V, Mn, Fe and Co-doped WSe2 are antiferromagnetic in their ground state. For Fe doped WSe2, we find a high Curie-temperature of 327 K. In the case of V-doped WSe2, we find that there are two distinct magnetic phase transitions, originating from a frustrated in-plane antiferromagnetic exchange interaction and a ferromagnetic out-of-plane interaction. We calculate the formation energy and reveal that, in contrast to earlier reports, the formation energy is positive for the intercalated systems studied here. We also show that in the presence of W-vacancies, it becomes favorable for Ti, Fe, and Co to intercalate in WSe2.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.937
Times cited: 1
DOI: 10.1088/2053-1583/ABD1CC
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“Tunable coupling of terahertz Dirac plasmons and phonons in transition metal dichalcogenide-based van der Waals heterostructures”. Lavor IR, Chaves A, Peeters FM, Van Duppen B, 2d Materials , 015018 (2021). http://doi.org/10.1088/2053-1583/AC37A8
Abstract: Dirac plasmons in graphene hybridize with phonons of transition metal dichalcogenides (TMDs) when the materials are combined in so-called van der Waals heterostructures (vdWh), thus forming surface plasmon-phonon polaritons (SPPPs). The extend to which these modes are coupled depends on the TMD composition and structure, but also on the plasmons' properties. By performing realistic simulations that account for the contribution of each layer of the vdWh separately, we calculate how the strength of plasmon-phonon coupling depends on the number and composition of TMD layers, on the graphene Fermi energy and the specific phonon mode. From this, we present a semiclassical theory that is capable of capturing all relevant characteristics of the SPPPs. We find that it is possible to realize both strong and ultra-strong coupling regimes by tuning graphene's Fermi energy and changing TMD layer number.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.937
Times cited: 1
DOI: 10.1088/2053-1583/AC37A8
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“Surface Functionalization of Grown-on-Tip ZnO Nanopyramids: From Fabrication to Light-Triggered Applications”. Gasparotto A, Maccato C, Carraro G, Sada C, Štangar UL, Alessi B, Rocks C, Mariotti D, La Porta A, Altantzis T, Barreca D, Acs Applied Materials &, Interfaces 11, 15881 (2019). http://doi.org/10.1021/acsami.8b22744
Abstract: We report on a combined chemical vapor deposition (CVD)/radio frequency (RF) sputtering synthetic strategy for the controlled surface modification of ZnO nanostructures by Ti-containing species. Specifically, the proposed approach consists in the CVD of grown-on-tip ZnO nanopyramids, followed by titanium RF sputtering under mild conditions. The results obtained by a thorough characterization demonstrate the successful ZnO surface functionalization with dispersed Ti-containing species in low amounts. This phenomenon, in turn, yields a remarkable enhancement of photoactivated superhydrophilic behavior, self-cleaning ability, and photocatalytic performances in comparison to bare ZnO. The reasons accounting for such an improvement are unravelled by a multitechnique analysis, elucidating the interplay between material chemico-physical properties and the corresponding functional behavior. Overall, the proposed strategy stands as an amenable tool for the mastering of semiconductor-based functional nanoarchitectures through ad hoc engineering of the system surface.
Keywords: A1 Journal Article; Electron Microscopy for Materials Science (EMAT) ;
Impact Factor: 7.504
Times cited: 1
DOI: 10.1021/acsami.8b22744
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“Secondary electron induced current in scanning transmission electron microscopy: an alternative way to visualize the morphology of nanoparticles”. Vlasov E, Skorikov A, Sánchez-Iglesias A, Liz-Marzán LM, Verbeeck J, Bals S, ACS materials letters , 1916 (2023). http://doi.org/10.1021/acsmaterialslett.3c00323
Abstract: Electron tomography (ET) is a powerful tool to determine the three-dimensional (3D) structure of nanomaterials in a transmission electron microscope. However, the acquisition of a conventional tilt series for ET is a time-consuming process and can therefore not provide 3D structural information in a time-efficient manner. Here, we propose surface-sensitive secondary electron (SE) imaging as an alternative to ET for the investigation of the morphology of nanomaterials. We use the SE electron beam induced current (SEEBIC) technique that maps the electrical current arising from holes generated by the emission of SEs from the sample. SEEBIC imaging can provide valuable information on the sample morphology with high spatial resolution and significantly shorter throughput times compared with ET. In addition, we discuss the contrast formation mechanisms that aid in the interpretation of SEEBIC data.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Times cited: 1
DOI: 10.1021/acsmaterialslett.3c00323
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“Color-switchable nanosilicon fluorescent probes”. Chen H, Xu J, Wang Y, Wang D, Ferrer-Espada R, Wang Y, Zhou J, Pedrazo-Tardajos A, Yang M, Tan J-H, Yang X, Zhang L, Sychugov I, Chen S, Bals S, Paulsson J, Yang Z, ACS nano 16, 15450 (2022). http://doi.org/10.1021/ACSNANO.2C07443
Abstract: Fluorescent probes are vital to cell imaging by allowing specific parts of cells to be visualized and quantified. Color-switchable probes (CSPs), with tunable emission wavelength upon contact with specific targets, are particularly powerful because they not only eliminate the need to wash away all unbound probe but also allow for internal controls of probe concentrations, thereby facilitating quantification. Several such CSPs exist and have proven very useful, but not for all key cellular targets. Here we report a pioneering CSP for in situ cell imaging using aldehydefunctionalized silicon nanocrystals (SiNCs) that switch their intrinsic photoluminescence from red to blue quickly when interacting with amino acids in live cells. Though conventional probes often work better in cell-free extracts than in live cells, the SiNCs display the opposite behavior and function well and fast in universal cell lines at 37 ? while requiring much higher temperature in extracts. Furthermore, the SiNCs only disperse in cytoplasm not nucleus, and their fluorescence intensity correlated linearly with the concentration of fed amino acids. We believe these nanosilicon probes will be promising tools to visualize distribution of amino acids and potentially quantify amino acid related processes in live cells.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 17.1
Times cited: 1
DOI: 10.1021/ACSNANO.2C07443
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“Self‐Assembly of Atomically Thin Chiral Copper Heterostructures Templated by Black Phosphorus”. Nerl HC, Pokle A, Jones L, Müller‐Caspary K, Bos KHW, Downing C, McCarthy EK, Gauquelin N, Ramasse QM, Lobato I, Daly D, Idrobo JC, Van Aert S, Van Tendeloo G, Sanvito S, Coleman JN, Cucinotta CS, Nicolosi V, Advanced functional materials 29, 1903120 (2019). http://doi.org/10.1002/adfm.201903120
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.124
Times cited: 1
DOI: 10.1002/adfm.201903120
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“Tailoring vanadium dioxide film orientation using nanosheets : a combined microscopy, diffraction, transport, and soft X-ray in transmission study”. Tran Phong Le P, Hofhuis K, Rana A, Huijben M, Hilgenkamp H, Rijnders GAJHM, ten Elshof JE, Koster G, Gauquelin N, Lumbeeck G, Schuessler-Langeheine C, Popescu H, Fortuna F, Smit S, Verbeek XH, Araizi-Kanoutas G, Mishra S, Vaskivskyi I, Duerr HA, Golden MS, Advanced Functional Materials 30, 1900028 (2020). http://doi.org/10.1002/ADFM.201900028
Abstract: Vanadium dioxide (VO2) is a much-discussed material for oxide electronics and neuromorphic computing applications. Here, heteroepitaxy of VO2 is realized on top of oxide nanosheets that cover either the amorphous silicon dioxide surfaces of Si substrates or X-ray transparent silicon nitride membranes. The out-of-plane orientation of the VO2 thin films is controlled at will between (011)(M1)/(110)(R) and (-402)(M1)/(002)(R) by coating the bulk substrates with Ti0.87O2 and NbWO6 nanosheets, respectively, prior to VO2 growth. Temperature-dependent X-ray diffraction and automated crystal orientation mapping in microprobe transmission electron microscope mode (ACOM-TEM) characterize the high phase purity, the crystallographic and orientational properties of the VO2 films. Transport measurements and soft X-ray absorption in transmission are used to probe the VO2 metal-insulator transition, showing results of a quality equal to those from epitaxial films on bulk single-crystal substrates. Successful local manipulation of two different VO2 orientations on a single substrate is demonstrated using VO2 grown on lithographically patterned lines of Ti0.87O2 and NbWO6 nanosheets investigated by electron backscatter diffraction. Finally, the excellent suitability of these nanosheet-templated VO2 films for advanced lensless imaging of the metal-insulator transition using coherent soft X-rays is discussed.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19
Times cited: 1
DOI: 10.1002/ADFM.201900028
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“Excellent excitonic photovoltaic effect in 2D CsPbBr₃/CdS heterostructures”. Jin B, Zuo N, Hu Z-Y, Cui W, Wang R, Van Tendeloo G, Zhou X, Zhai T, Advanced Functional Materials , 2006166 (2020). http://doi.org/10.1002/ADFM.202006166
Abstract: P-n photovoltaic junctions are essential building blocks for optoelectronic devices for energy conversion. However, this photovoltaic efficiency has almost reached its theoretical limit. Here, a brand-new excitonic photovoltaic effect in 2D CsPbBr3/CdS heterostructures is revealed. These heterostructures, synthesized by epitaxial growth, display a clean interface and a strong interlayer coupling. The excitonic photovoltaic effect is a function of both the built-in equilibrium electrical potential energy and the chemical potential energy, which is generated by the significant concentration gradient of electrons and holes at the heterojunction interface. Excitingly, this novel photovoltaic effect results in a large open-circuit voltage of 0.76 V and a high power conversion efficiency of 17.5%. In addition, high photodetection performance, including a high photoswitch ratio (I-light/I-dark) of 10(5)and a fast response rate of 23 mu s are obtained. These findings provide a new platform for photovoltaic applications.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19
Times cited: 1
DOI: 10.1002/ADFM.202006166
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“Functionalization chemistry of porous materials”. Canossa S, Wuttke S, Advanced Functional Materials 30, 2003875 (2020). http://doi.org/10.1002/ADFM.202003875
Keywords: Editorial; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 19
Times cited: 1
DOI: 10.1002/ADFM.202003875
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“Orbital-hybridization-driven charge density wave transition in CsV₃Sb₅, kagome superconductor”. Han S, Tang CS, Li L, Liu Y, Liu H, Gou J, Wu J, Zhou D, Yang P, Diao C, Ji J, Bao J, Zhang L, Zhao M, Milošević, MV, Guo Y, Tian L, Breese MBH, Cao G, Cai C, Wee ATS, Yin X, Advanced materials , 1 (2022). http://doi.org/10.1002/ADMA.202209010
Abstract: Owing to its inherent non-trivial geometry, the unique structural motif of the recently discovered kagome topological superconductor AV(3)Sb(5) (A = K, Rb, Cs) is an ideal host of diverse topologically non-trivial phenomena, including giant anomalous Hall conductivity, topological charge order, charge density wave (CDW), and unconventional superconductivity. Despite possessing a normal-state CDW order in the form of topological chiral charge order and diverse superconducting gaps structures, it remains unclear how fundamental atomic-level properties and many-body effects including Fermi surface nesting, electron-phonon coupling, and orbital hybridization contribute to these symmetry-breaking phenomena. Here, the direct participation of the V3d-Sb5p orbital hybridization in mediating the CDW phase transition in CsV3Sb5 is reported. The combination of temperature-dependent X-ray absorption and first-principles studies clearly indicates the inverse Star-of-David structure as the preferred reconstruction in the low-temperature CDW phase. The results highlight the critical role that Sb orbitals play and establish orbital hybridization as the direct mediator of the CDW states and structural transition dynamics in kagome unconventional superconductors. This is a significant step toward the fundamental understanding and control of the emerging correlated phases from the kagome lattice through the orbital interactions and provides promising approaches to novel regimes in unconventional orders and topology.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 29.4
Times cited: 1
DOI: 10.1002/ADMA.202209010
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“Many electron- and hole terms of molecular ions C60n\pm”. Nikolaev AV, Michel KH, Coupling In Chemistry And Physics 44, 305 (2003). http://doi.org/10.1016/S0065-3276(03)44019-7
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 1.196
Times cited: 1
DOI: 10.1016/S0065-3276(03)44019-7
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“Direct and indirect effect of irrigation water availability on crop revenue in northwest Ethiopia : a structural equation model”. Chekol Zewdie M, Van Passel S, Cools J, Tenessa DB, Ayele ZA, Tsegaye EA, Minale AS, Nyssen J, Agricultural Water Management 220, 27 (2019). http://doi.org/10.1016/J.AGWAT.2019.04.013
Abstract: Development of a clear understanding of the relationship between the availability of dam-driven irrigation water and crop revenue is important in poverty reduction and food security process. As a result, large research efforts are devoted to understanding the relationship between the availability of irrigation water and crop revenue. However, earlier studies do have several limitations. For example, without considering its indirect effect, prior studies focused solely on the direct effect of availability of irrigation water on crop revue. In this study, using a structural equation model analysis, the direct and indirect effect of availability of dam-driven irrigation water on crop revenue is decomposed and quantified specifically for the Koga irrigation scheme, located in the Mecha district of Amhara region in Ethiopia. A primary data set was collected from a randomly selected sample of 450 households in the Koga irrigation scheme. More than half of the households (254) are supported by the Koga Dam irrigation water during the dry season, and the other 196 households depended only on rainfall. The results of the study showed that, in addition to its direct effect, the availability of irrigation water indirectly affected crop revenue through receptivity of the farmers to use modern farm inputs. Around 27 percent of the total effect of dam-driven irrigation water on crop revenue was mediated by farmers’ receptivity to use yield-enhancing modern farm inputs. The results of this study suggested that the availability of irrigation water is essential to improve both crop revenue and receptivity of the farmers to use modern farm inputs. This finding also drives a strategic framework that the receptivity of the farmers to use modern farm inputs is crucial for utilizing the positive effects of irrigation water availability on crop revenue.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
Impact Factor: 2.848
Times cited: 1
DOI: 10.1016/J.AGWAT.2019.04.013
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“Atomic-scale identification of novel planar defect phases in heteroepitaxial YBa2Cu3O7-\delta thin films”. Gauquelin N, Zhang H, Zhu G, Wei JYT, Botton GA, AIP advances 8, 055022 (2018). http://doi.org/10.1063/1.5011761
Abstract: We have discovered two novel types of planar defects that appear in heteroepitaxial YBa2Cu3O7-delta(YBCO123) thin films, grown by pulsed-laser deposition (PLD) either with or without a La2/3Ca1/3MnO3 (LCMO) overlayer, using the combination of highangle annular dark-field scanning transmission electron microscopy (HAADF-STEM) imaging and electron energy loss spectroscopy (EELS) mapping for unambiguous identification. These planar lattice defects are based on the intergrowth of either a BaO plane between two CuO chains or multiple Y-O layers between two CuO2 planes, resulting in non-stoichiometric layer sequences that could directly impact the high-Tc superconductivity. (C) 2018 Author(s).
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 1.568
Times cited: 1
DOI: 10.1063/1.5011761
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“Towards green ammonia synthesis through plasma-driven nitrogen oxidation and catalytic reduction”. Hollevoet L, Jardali F, Gorbanev Y, Creel J, Bogaerts A, Martens JA, Angewandte Chemie-International Edition (2020). http://doi.org/10.1002/ANIE.202011676
Abstract: Ammonia is an industrial large-volume chemical, with its main application in fertilizer production. It also attracts increasing attention as a green-energy vector. Over the past century, ammonia production has been dominated by the Haber-Bosch process, in which a mixture of nitrogen and hydrogen gas is converted to ammonia at high temperatures and pressures. Haber-Bosch processes with natural gas as the source of hydrogen are responsible for a significant share of the global CO(2)emissions. Processes involving plasma are currently being investigated as an alternative for decentralized ammonia production powered by renewable energy sources. In this work, we present the PNOCRA process (plasma nitrogen oxidation and catalytic reduction to ammonia), combining plasma-assisted nitrogen oxidation and lean NO(x)trap technology, adopted from diesel-engine exhaust gas aftertreatment technology. PNOCRA achieves an energy requirement of 4.6 MJ mol(-1)NH(3), which is more than four times less than the state-of-the-art plasma-enabled ammonia synthesis from N(2)and H(2)with reasonable yield (>1 %).
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 16.6
Times cited: 1
DOI: 10.1002/ANIE.202011676
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“Heterogeneous conjugation of vegetable oil with alkaline treated highly dispersed Ru/USY catalysts”. Van Aelst J, Philippaerts A, Turner S, Van Tendeloo G, Jacobs P, Sels B, Applied catalysis : A : general 526, 172 (2016). http://doi.org/10.1016/J.APCATA.2016.08.026
Abstract: Heterogeneous metal catalysts enable the direct conjugation of linoleic acid tails in vegetable oil to their conjugated linoleic acid (CIA) isomers. CIA-enriched oils are useful as renewable feedstock for the chemical industry and as nutraceutical. Up to now, a solvent-free process for conjugated oils without significant formation of undesired hydrogenation products was not existing. This work shows the design of Ru/USY catalysts able to directly conjugate highly unsaturated vegetable oils such as safflower oil in absence of solvent and hydrogen. Key is fast molecular transport of the bulky reagent and reactive product triglycerides in the zeolite crystal. A two-step zeolite post-synthetic treatment (with NH4OH and acetate salt) was applied to create the necessary mesoporosity. More open zeolite structures allow for a faster conjugation reaction, while securing a fast removal of the reactive conjugated triglycerides, otherwise rapidly deactivating through fouling and pore blockage by polymers. The best Ru/USY catalyst in this contribution is capable of producing exceptionally high yields of conjugated oils, containing up to almost 30 wt% conjugated fatty acid tails in safflower oil, at an initial production rate of 328 g(CLA) mL(-1) h(-1) per gram metal catalyst. (C) 2016 Elsevier B.V. All rights reserved.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.339
Times cited: 1
DOI: 10.1016/J.APCATA.2016.08.026
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“Formation of Mn304/C core-shell nanowires and a new MN-O phase by electron beam irradiation”. Du GH, Van Tendeloo G, Applied physics A : materials science &, processing 91, 393 (2008). http://doi.org/10.1007/s00339-008-4430-5
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 1.455
Times cited: 1
DOI: 10.1007/s00339-008-4430-5
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“Convergent beam electron-diffraction investigation of lattice mismatch and static disorder in GaAs/GaAs1-xNx intercalated GaAs/GaAs1-xNx:H heterostructures”. Frabboni S, Grillo V, Gazzadi GC, Balboni R, Trotta R, Polimeni A, Capizzi M, Martelli F, Rubini S, Guzzinati G, Glas F;, Applied physics letters 101, 111912 (2012). http://doi.org/10.1063/1.4752464
Abstract: Hydrogen incorporation in diluted nitride semiconductors dramatically modifies the electronic and structural properties of the crystal through the creation of nitrogen-hydrogen complexes. We report a convergent beam electron-diffraction characterization of diluted nitride semiconductor-heterostructures patterned at a sub-micron scale and selectively exposed to hydrogen. We present a method to determine separately perpendicular mismatch and static disorder in pristine and hydrogenated heterostructures. The roles of chemical composition and strain on static disorder have been separately assessed. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4752464]
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 3.411
Times cited: 1
DOI: 10.1063/1.4752464
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“Inelastic electron tunneling spectroscopy of HfO2 gate stacks : a study based on first-principles modeling”. Scalise E, Houssa M, Pourtois G, Afanas'ev VV, Stesmans A, Applied physics letters 99, 132101 (2011). http://doi.org/10.1063/1.3644158
Abstract: A first-principles modeling approach is used to investigate the vibrational properties of HfO2. The calculated phonon density of states is compared to experimental results obtained from inelastic electron tunneling spectroscopy (IETS) of various metal-oxide-semiconductor devices with HfO2 gate stacks. This comparison provides deep insights into the nature of the signatures of the complicated IETS spectra and provides valuable structural information about the gate stack, such as the possible presence of oxygen vacancies in jet-vapour deposited HfO2. Important structural differences between the interface of atomic-layer or molecular-beam deposited HfO2 and the Si substrate are also revealed.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.411
Times cited: 1
DOI: 10.1063/1.3644158
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“The interband optical absorption in silicon quantum wells : application of the 30-band k . p model”. Čukarić, NA, Tadić, MZ, Partoens B, Peeters FM, Applied physics letters 104, 242103 (2014). http://doi.org/10.1063/1.4884122
Abstract: The interband optical absorption in Si/SiO2 quantum wells is calculated as function of the well width (W) and the evolution from an indirect to a direct gap material as function of the well width is investigated. In order to compute the electron states in the conduction band, the 30-band k . p model is employed, whereas the 6-band Luttinger-Kohn model is used for the hole states. We found that the effective direct band gap in the quantum well agrees very well with the W-2 scaling result of the single-band model. The interband matrix elements for linear polarized light oscillate with the quantum well width, which agrees qualitatively with a single band calculation. Our theoretical results indicate that the absorption can be maximized by a proper choice of the well width. However, the obtained absorption coefficients are at least an order of magnitude smaller than for a typical direct semiconductor even for a well width of 2 nm. (C) 2014 AIP Publishing LLC.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.411
Times cited: 1
DOI: 10.1063/1.4884122
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“Electro-optical and mechanical properties of Zinc antimonide (ZnSb) monolayer and bilayer : a first-principles study”. Bafekry A, Yagmurcukardes M, Shahrokhi M, Ghergherehchi M, Kim D, Mortazavi B, Applied Surface Science 540, 148289 (2021). http://doi.org/10.1016/J.APSUSC.2020.148289
Abstract: Latest synthesis of ZnSb monolayer, encouraged us to conduct density functional theory (DFT) simulations in order to study the structural, magnetic, electronic/optical and mechanical features of the sp2-hybridized honeycomb ZnSb monolayer (ML-ZnSb) and bilayer (BL-ZnSb). Our structural optimizations reveal that ML-ZnSb is an anisotropic hexagonal structure while BL-ZnSb is composed of shifted ZnSb layers which are covalently binded. ML-ZnSb is found to be a ferromagnetic metal, in contrast BL-ZnSb has a non-magnetic indirect band gap semiconducting ground state. For the in-plane polarization, first absorption peak of ML-ZnSb and BL-ZnSb confirm the absorbance of the light within the infrared domain wand visible range, respectively. Moreover, our results reveal that the layer-layer chemical bonding in BL-ZnSb significantly enhances the mechanical response of ML-ZnSb whose in-plane stiness is the smallest among all 2D materials (2DM). Notably, the strong in-plane anisotropy of ML-ZnSb in its stiness reduces in BL-ZnSb.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.387
Times cited: 1
DOI: 10.1016/J.APSUSC.2020.148289
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“Dried aerobic heterotrophic bacteria from treatment of food and beverage effluents: Screening of correlations between operation parameters and microbial protein quality”. Muys M, Papini G, Spiller M, Sakarika M, Schwaiger B, Lesueur C, Vermeir P, Vlaeminck SE, Bioresource Technology 307, 123242 (2020). http://doi.org/10.1016/J.BIORTECH.2020.123242
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 11.4
Times cited: 1
DOI: 10.1016/J.BIORTECH.2020.123242
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“Enhancement of pollutants removal from saline wastewater through simultaneous anammox and denitrification (SAD) process with glycine betaine addition”. Zhu W, Li J, Wang B, Chen G, Bioresource Technology 315, 123784 (2020). http://doi.org/10.1016/J.BIORTECH.2020.123784
Abstract: Enhanced pollutants removal from saline wastewater was investigated in simultaneous anammox and denitrification (SAD) process with glycine betaine (GB) addition. Long-term operation indicated the optimal GB dose was around 0.4 mM, which enhanced both anammox and denitrifying activity by 30% and 45%, respectively. The total nitrogen and organic removal rates were 0.38 +/- 0.2 kgN/m(3)/d and 0.34 +/- 0.3 kgCOD/m(3)/d, respectively, which increased by 34.5% and 20.5%. Independent of GB dose, denitrifying activity was promoted, but anammox activity was drastically deteriorated after excessive GB addition. The optimal GB dose predicated by both Gaussian and Modified-Boltzmann models were 0.42-0.45 mM. Besides, the bacterial activity recovery after excessive GB addition could be analyzed by the Modified-Boltzmann model. With 1.5 mM GB, granular floatation occurred since numerous gas bubbles were inside the granules. In general, exogenous GB addition can mitigate salinity inhibition and promote pollutants removal from saline wastewater.
Keywords: A1 Journal article; Engineering sciences. Technology; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 11.4
Times cited: 1
DOI: 10.1016/J.BIORTECH.2020.123784
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