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“Hierarchical MoS2@TiO2 heterojunctions for enhanced photocatalytic performance and electrocatalytic hydrogen evolution”. Dong Y, Chen S-Y, Lu Y, Xiao Y-X, Hu J, Wu S-M, Deng Z, Tian G, Chang G-G, Li J, Lenaerts S, Janiak C, Yang X-Y, Su B-L, Chemistry: an Asian journal 13, 1609 (2018). http://doi.org/10.1002/ASIA.201800359
Abstract: Hierarchical MoS2@TiO2 heterojunctions were synthesized through a one-step hydrothermal method by using protonic titanate nanosheets as the precursor. The TiO2 nanosheets prevent the aggregation of MoS2 and promote the carrier transfer efficiency, and thus enhance the photocatalytic and electrocatalytic activity of the nanostructured MoS2. The obtained MoS2@TiO2 has significantly enhanced photocatalytic activity in the degradation of rhodamineB (over 5.2times compared with pure MoS2) and acetone (over 2.8times compared with pure MoS2). MoS2@TiO2 is also beneficial for electrocatalytic hydrogen evolution (26times compared with pure MoS2, based on the cathodic current density). This work offers a promising way to prevent the self-aggregation of MoS2 and provides a new insight for the design of heterojunctions for materials with lattice mismatches.
Keywords: A1 Journal article; Sustainable Energy, Air and Water Technology (DuEL)
Impact Factor: 4.083
Times cited: 22
DOI: 10.1002/ASIA.201800359
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“Strong valley Zeeman effect of dark excitons in monolayer transition metal dichalcogenides in a tilted magnetic field”. Van der Donck M, Zarenia M, Peeters FM, Physical review B 97, 081109 (2018). http://doi.org/10.1103/PHYSREVB.97.081109
Abstract: The dependence of the excitonic photoluminescence (PL) spectrum of monolayer transition metal dichalcogenides (TMDs) on the tilt angle of an applied magnetic field is studied. Starting from a four-band Hamiltonian we construct a theory which quantitatively reproduces the available experimental PL spectra for perpendicular and in-plane magnetic fields. In the presence of a tilted magnetic field, we demonstrate that the dark exciton PL peaks brighten due to the in-plane component of the magnetic field and split for light with different circular polarizations as a consequence of the perpendicular component of the magnetic field. This splitting is more than twice as large as the splitting of the bright exciton peaks in tungsten-based TMDs. We propose an experimental setup that will allow for accessing the predicted splitting of the dark exciton peaks in the PL spectrum.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 21
DOI: 10.1103/PHYSREVB.97.081109
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“Strain mapping in single-layer two-dimensional crystals via Raman activity”. Yagmurcukardes M, Bacaksiz C, Unsal E, Akbali B, Senger RT, Sahin H, Physical review B 97, 115427 (2018). http://doi.org/10.1103/PHYSREVB.97.115427
Abstract: By performing density functional theory-based ab initio calculations, Raman-active phonon modes of single-layer two-dimensional (2D) materials and the effect of in-plane biaxial strain on the peak frequencies and corresponding activities of the Raman-active modes are calculated. Our findings confirm the Raman spectrum of the unstrained 2D crystals and provide expected variations in the Raman-active modes of the crystals under in-plane biaxial strain. The results are summarized as follows: (i) frequencies of the phonon modes soften (harden) under applied tensile (compressive) strains; (ii) the response of the Raman activities to applied strain for the in-plane and out-of-plane vibrational modes have opposite trends, thus, the built-in strains in the materials can be monitored by tracking the relative activities of those modes; (iii) in particular, the A peak in single-layer Si and Ge disappears under a critical tensile strain; (iv) especially in mono-and diatomic single layers, the shift of the peak frequencies is a stronger indication of the strain rather than the change in Raman activities; (v) Raman-active modes of single-layer ReX2 (X = S, Se) are almost irresponsive to the applied strain. Strain-induced modifications in the Raman spectrum of 2D materials in terms of the peak positions and the relative Raman activities of the modes could be a convenient tool for characterization.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 21
DOI: 10.1103/PHYSREVB.97.115427
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“Tunable Snell's law for spin waves in heterochiral magnetic films”. Mulkers J, Van Waeyenberge B, Milošević, MV, Physical review B 97, 104422 (2018). http://doi.org/10.1103/PhysRevB.97.104422
Abstract: Thin ferromagnetic films with an interfacially induced DMI exhibit nontrivial asymmetric dispersion relations that lead to unique and useful magnonic properties. Here we derive an analytical expression for the magnon propagation angle within the micromagnetic framework and show how the dispersion relation can be approximated with a comprehensible geometrical interpretation in the k space of the propagation of spin waves. We further explore the refraction of spin waves at DMI interfaces in heterochiral magnetic films, after deriving a generalized Snell's law tunable by an in-plane magnetic field, that yields analytical expressions for critical incident angles. The found asymmetric Brewster angles at interfaces of regions with different DMI strengths, adjustable by magnetic field, support the conclusion that heterochiral ferromagnetic structures are an ideal platform for versatile spin-wave guides.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 20
DOI: 10.1103/PhysRevB.97.104422
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“Carbon Incorporation and Anion Dynamics as Synergistic Drivers for Ultrafast Diffusion in Superionic LiCB11H12 and NaCB11H12”. Dimitrievska M, Shea P, Kweon KE, Bercx M, Varley JB, Tang WS, Skripov AV, Stavila V, Udovic TJ, Wood BC, Advanced energy materials 8, 1703422 (2018). http://doi.org/10.1002/AENM.201703422
Abstract: The disordered phases of LiCB11H12 and NaCB11H12 possess superb superionic conductivities that make them suitable as solid electrolytes. In these materials, cation diffusion correlates with high orientational mobilities of the CB11H12- anions; however, the precise relationship has yet to be demonstrated. In this work, ab initio molecular dynamics and quasielastic neutron scattering are combined to probe anion reorientations and their mechanistic connection to cation mobility over a range of timescales and temperatures. It is found that anions do not rotate freely, but rather transition rapidly between orientations defined by the cation sublattice symmetry. The symmetry-breaking carbon atom in CB11H12- also plays a critical role by perturbing the energy landscape along the instantaneous orientation of the anion dipole, which couples fluctuations in the cation probability density directly to the anion motion. Anion reorientation rates exceed 3 x 10(10) s(-1), suggesting the underlying energy landscape fluctuates dynamically on diffusion-relevant timescales. Furthermore, carbon is found to modify the orientational preferences of the anions and aid rotational mobility, creating additional symmetry incompatibilities that inhibit ordering. The results suggest that synergy between the anion reorientational dynamics and the carbon-modified cation-anion interaction accounts for the higher ionic conductivity in CB11H12- salts compared with B12H122-.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.721
Times cited: 20
DOI: 10.1002/AENM.201703422
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“Enhanced stability of single-layer w-Gallenene through hydrogenation”. Badalov SV, Yagmurcukardes M, Peeters FM, Sahin H, The journal of physical chemistry: C : nanomaterials and interfaces 122, 28302 (2018). http://doi.org/10.1021/ACS.JPCC.8B07353
Abstract: Using density functional theory based first-principles calculations, the effect of surface hydrogenation on the structural, dynamical, electronic, and mechanical properties of monolayer washboard-gallenene (w-gallenene) is investigated. It is found that the dynamically stabilized strained monolayer of w-gallenene has a metallic nonmagnetic ground state. Both one-sided and two-sided hydrogenations of w-gallenene suppress its dynamical instability even when unstrained. Unlike one-sided hydrogenated monolayer w-gallenene (os-w-gallenene), two-sided hydrogenated monolayer w-gallenene (ts-w-gallenene) possesses the same crystal structure as w-gallenene. Electronic band structure calculations reveal that monolayers of hydrogenated derivatives of w-gallenene exhibit also metallic nonmagnetic ground state. Moreover, the linear-elastic constants, in-plane stiffness and Poisson ratio, are enhanced by hydrogenation, which is opposite to the behavior of other hydrogenated monolayer crystals. Furthermore, monolayer w-gallenene and ts-w-gallenene remain dynamically stable up to relatively higher biaxial strains as compared to borophene. With its enhanced dynamical stability, robust metallic character, and enhanced linear-elastic properties, hydrogenated monolayer w-gallenene is a potential candidate for nanodevice applications as a two-dimensional flexible metal.
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 4.536
Times cited: 20
DOI: 10.1021/ACS.JPCC.8B07353
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“Effect of plasma-induced surface charging on catalytic processes: application to CO2activation”. Bal KM, Huygh S, Bogaerts A, Neyts EC, Plasma sources science and technology 27, 024001 (2018). http://doi.org/10.1088/1361-6595/aaa868
Abstract: Understanding the nature and effect of the multitude of plasma–surface interactions in plasma catalysis is a crucial requirement for further process development and improvement. A particularly intriguing and rather unique property of a plasma-catalytic setup is the ability of the plasma to modify the electronic structure, and hence chemical properties, of the catalyst through charging, i.e. the absorption of excess electrons. In this work, we develop a quantum chemical model based on density functional theory to study excess negative surface charges in a heterogeneous catalyst exposed to a plasma. This method is specifically applied to investigate plasma-catalytic CO2 activation on supported M/Al2O3 (M=Ti, Ni, Cu) single atom catalysts. We find that (1) the presence of a negative surface charge dramatically improves the reductive power of the catalyst, strongly promoting the splitting of CO2 to CO and oxygen, and (2) the relative activity of the investigated transition metals is also changed upon charging, suggesting that controlled surface charging is a powerful additional parameter to tune catalyst activity and selectivity. These results strongly point to plasma-induced surface charging of the catalyst as an important factor contributing to the plasma-catalyst synergistic effects frequently reported for plasma catalysis.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 19
DOI: 10.1088/1361-6595/aaa868
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“Chemical fingerprints of cold physical plasmas &ndash, an experimental and computational study using cysteine as tracer compound”. Lackmann J-W, Wende K, Verlackt C, Golda J, Volzke J, Kogelheide F, Held J, Bekeschus S, Bogaerts A, Schulz-von der Gathen V, Stapelmann K, Scientific reports 8, 7736 (2018). http://doi.org/10.1038/s41598-018-25937-0
Abstract: Reactive oxygen and nitrogen species released by cold physical plasma are being proposed as effectors in various clinical conditions connected to inflammatory processes. As these plasmas can be tailored in a wide range, models to compare and control their biochemical footprint are desired to infer on the molecular mechanisms underlying the observed effects and to enable the discrimination between different plasma sources. Here, an improved model to trace short-lived reactive species is presented. Using FTIR, high-resolution mass spectrometry, and molecular dynamics computational simulation, covalent modifications of cysteine treated with different plasmas were deciphered and the respective product pattern used to generate a fingerprint of each plasma source. Such, our experimental model allows a fast and reliable grading of the chemical potential of plasmas used for medical purposes. Major reaction products were identified to be cysteine sulfonic acid, cystine, and cysteine fragments. Less abundant products, such as oxidized cystine derivatives or S-nitrosylated cysteines, were unique to different plasma sources or operating conditions. The data collected point at hydroxyl radicals, atomic O, and singlet oxygen as major contributing species that enable an impact on cellular thiol groups when applying cold plasma in vitro or in vivo.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.259
Times cited: 19
DOI: 10.1038/s41598-018-25937-0
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“Magneto-polarons in monolayer transition-metal dichalcogenides”. Chen Q, Wang W, Peeters FM, Journal of applied physics 123, 214303 (2018). http://doi.org/10.1063/1.5025907
Abstract: Landau levels (LLs) are modified by the Frohlich interaction which we investigate within the improved Wigner-Brillouin theory for energies both below and above the longitudinal-optical-continuum in monolayer MoS2.., WS2, MoSe2, and WSe2. Polaron corrections to the LLs are enhanced in monolayer MoS2 as compared to WS2. A series of levels are found at h omega(LO) + lh omega(c), and in addition, the Frohlich interaction lifts the degeneracy between the levels nh omega(c) and h omega(LO) + lh omega(c) resulting in an anticrossing. The screening effect due to the environment plays an important role in the polaron energy corrections, which are also affected by the effective thickness r(eff) parameter. The polaron anticrossing energy gap E-gap decreases with increasing effective thickness r(eff). Published by AIP Publishing.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 2.068
Times cited: 19
DOI: 10.1063/1.5025907
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“Dirac nodal line in bilayer borophene : tight-binding model and low-energy effective Hamiltonian”. Nakhaee M, Ketabi SA, Peeters FM, Physical review B 98, 115413 (2018). http://doi.org/10.1103/PHYSREVB.98.115413
Abstract: Bilayer hexagonal borophene, which is bound together through pillars, is a novel topological semimetal. Using density functional theory, we investigate its electronic band structure and show that it is a Dirac material which exhibits a nodal line. A tight-binding model was constructed based on the Slater-Koster approach, which accurately models the electronic spectrum. We constructed an effective four-band model Hamiltonian to describe the spectrum near the nodal line. This Hamiltonian can be used as a new platform to study the new properties of nodal line semimetals. We found that the nodal line is created by edge states and is very robust against perturbations and impurities. Breaking symmetries can split the nodal line, but cannot open a gap.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 19
DOI: 10.1103/PHYSREVB.98.115413
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“Magnetic field dependence of electronic properties of MoS2 quantum dots with different edges”. Chen Q, Li LL, Peeters FM, Physical review B 97, 085437 (2018). http://doi.org/10.1103/PHYSREVB.97.085437
Abstract: Using the tight-binding approach, we investigate the energy spectrum of square, triangular, and hexagonal MoS2 quantum dots (QDs) in the presence of a perpendicular magnetic field. Novel edge states emerge in MoS2 QDs, which are distributed over the whole edge which we call ring states. The ring states are robust in the presence of spin-orbit coupling (SOC). The corresponding energy levels of the ring states oscillate as a function of the perpendicular magnetic field which are related to Aharonov-Bohm oscillations. Oscillations in the magnetic field dependence of the energy levels and the peaks in the magneto-optical spectrum emerge (disappear) as the ring states are formed (collapsed). The period and the amplitude of the oscillation decrease with the size of the MoS2 QDs.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 18
DOI: 10.1103/PHYSREVB.97.085437
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“Fe-containing magnesium aluminate support for stability and carbon control during methane reforming”. Theofanidis SA, Galvita VV, Poelman H, Dharanipragada NVRA, Longo A, Meledina M, Van Tendeloo G, Detavernier C, Marin GB, ACS catalysis 8, 5983 (2018). http://doi.org/10.1021/ACSCATAL.8B01039
Abstract: We report a MgFexAl2-xO4 synthetic spinel, where x varies from 0 to 0.26, as support for Ni-based catalysts, offering stability and carbon control under various conditions of methane reforming. By incorporation of Fe into a magnesium aluminate spine!, a support is created with redox functionality and high thermal stability, as concluded from temporal analysis of products (TAP) experiments and redox cycling, respectively. A diffusion coefficient of 3 x 10(-17) m(2) s(-1) was estimated for lattice oxygen at 993 K from TAP experiments. X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) modeling identified that the incorporation of iron occurs as Fe3+ in the octahedral sites of the spinel lattice, replacing aluminum. Simulation of the X-ray absorption near edge structure (XANES) spectrum of the reduced support showed that 60 +/- 10% of iron was reduced from 3+ to 2+ at 1073 K, while there was no formation of metallic iron. A series of Ni/MgFexAl2-xO4 catalysts, where x varies from 0 to 0.26, was synthesized and reduced, yielding a supported Ni-Fe alloy. The evolution of the catalyst structure during H-2 temperature-programmed reduction (TPR) and CO2 temperature-programmed oxidation (TPO) was examined using time-resolved in situ XRD and XANES. During reforming, iron in both the support and alloy keeps control of carbon accumulation, as confirmed by O-2-TPO on the spent catalysts. By fine tuning the amount of Fe in MgFexAl2-xO4, a supported alloy was obtained with a Ni/Fe molar ratio of similar to 10, which was active for reforming and stable. By comparison of the performance of Ni-based catalysts with Fe either incorporated into or deposited onto the support, the location of Fe within the support proved crucial for the stability and carbon mitigation under reforming conditions.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 10.614
Times cited: 18
DOI: 10.1021/ACSCATAL.8B01039
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“Assessing the success of electricity demand response programs : a meta-analysis”. Srivastava A, Van Passel S, Laes E, Energy Research and Social Science 40, 110 (2018). http://doi.org/10.1016/J.ERSS.2017.12.005
Abstract: This paper conducts a meta-analysis of 32 electricity demand response programs in the residential sector to understand whether their success is dependent on specific characteristics. The paper analyses several regression models using various combinations of variables that capture the designs of the programs and the socio-economic conditions in which the programs are implemented. The analysis reveals that demand response programs are more likely to succeed in highly urbanized areas, in areas where economic growth rates are high, and in areas where the renewable energy policy is favorable. These findings provide useful guidance in determining where and how to implement future demand response programs.
Keywords: A1 Journal article; Economics; Engineering Management (ENM)
Times cited: 18
DOI: 10.1016/J.ERSS.2017.12.005
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“Foundations of modelling of nonequilibrium low-temperature plasmas”. Alves LL, Bogaerts A, Guerra V, Turner MM, Plasma sources science and technology 27, 023002 (2018). http://doi.org/10.1088/1361-6595/aaa86d
Abstract: This work explains the need for plasma models, introduces arguments for choosing the type of model that better fits the purpose of each study, and presents the basics of the most common nonequilibrium low-temperature plasma models and the information available from each one, along with an extensive list of references for complementary in-depth reading. The paper presents the following models, organised according to the level of multi-dimensional description of the plasma: kinetic models, based on either a statistical particle-in-cell/Monte-Carlo approach or the solution to the Boltzmann equation (in the latter case, special focus is given to the description of the electron kinetics); multi-fluid models, based on the solution to the hydrodynamic equations; global (spatially-average) models, based on the solution to the particle and energy rate-balance equations for the main plasma species, usually including a very complete reaction chemistry; mesoscopic models for plasma–surface interaction, adopting either a deterministic approach or a stochastic dynamical Monte-Carlo approach. For each plasma model, the paper puts forward the physics context, introduces the fundamental equations, presents advantages and limitations, also from a numerical perspective, and illustrates its application with some examples. Whenever pertinent, the interconnection between models is also discussed, in view of multi-scale hybrid approaches.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 17
DOI: 10.1088/1361-6595/aaa86d
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“Bacterial inactivation by plasma treated water enhanced by reactive nitrogen species”. Shaw P, Kumar N, Kwak HS, Park JH, Uhm HS, Bogaerts A, Choi EH, Attri P, Scientific reports 8, 11268 (2018). http://doi.org/10.1038/s41598-018-29549-6
Abstract: There is a growing body of literature that recognizes the importance of plasma treated water (PTW)for inactivation of microorganism. However, very little attention has been paid to the role of reactive nitrogen species (RNS) in deactivation of bacteria. The aim of this study is to explore the role of RNS in bacterial killing, and to develop a plasma system with increased sterilization efficiency. To increase the concentration of reactive oxygen and nitrogen species (RONS) in solution, we have used vapor systems (DI water/HNO3 at different wt%) combined with plasma using N2 as working gas. The results show that the addition of the vapor system yields higher RONS contents. Furthermore, PTW produced by N2 + 0.5 wt% HNO3 vapor comprises a large amount of both RNS and ROS, while PTW created by N2 + H2O vapor consists of a large amount of ROS, but much less RNS. Interestingly, we observed more deactivation of E. Coli with PTW created by N2 + 0.5 wt% HNO3 vapor plasma as compared to PTW generated by the other plasma systems. This work provides new insight into the role of RNS along with ROS for deactivation of bacteria.
Keywords: A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 4.259
Times cited: 17
DOI: 10.1038/s41598-018-29549-6
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“High-temperature electron-hole superfluidity with strong anisotropic gaps in double phosphorene monolayers”. Saberi-Pouya S, Zarenia M, Perali A, Vazifehshenas T, Peeters FM, Physical review B 97, 174503 (2018). http://doi.org/10.1103/PHYSREVB.97.174503
Abstract: Excitonic superfluidity in double phosphorene monolayers is investigated using the BCS mean-field equations. Highly anisotropic superfluidity is predicted where we found that the maximum superfluid gap is in the Bose-Einstein condensate (BEC) regime along the armchair direction and in the BCS-BEC crossover regime along the zigzag direction. We estimate the highest Kosterlitz-Thouless transition temperature with maximum value up to similar to 90 K with onset carrier densities as high as 4 x 10(12) cm(-2). This transition temperature is significantly larger than what is found in double electron-hole few-layers graphene. Our results can guide experimental research toward the realization of anisotropic condensate states in electron-hole phosphorene monolayers.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.836
Times cited: 17
DOI: 10.1103/PHYSREVB.97.174503
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“Analysis of Short-Lived Reactive Species in Plasma–Air–Water Systems: The Dos and the Do Nots”. Gorbanev Y, Privat-Maldonado A, Bogaerts A, Analytical Chemistry 90, 13151 (2018). http://doi.org/10.1021/acs.analchem.8b03336
Abstract: This Feature addresses the analysis of the reactive species generated by nonthermal atmospheric
pressure plasmas, which are widely employed in industrial and biomedical research, as well as first
clinical applications. We summarize the progress in detection of plasma-generated short-lived
reactive oxygen and nitrogen species in aqueous solutions, discuss the potential and limitations of
various analytical methods in plasma−liquid systems, and provide an outlook on the possible future
research goals in development of short-lived reactive species analysis methods for a general
nonspecialist audience.
Keywords: A1 Journal Article; Plasma, laser ablation and surface modeling Antwerp (PLASMANT) ;
Impact Factor: 6.32
Times cited: 17
DOI: 10.1021/acs.analchem.8b03336
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“A review of sustainability indicators for biobased chemicals”. Van Schoubroeck S, Van Dael M, Van Passel S, Malina R, Renewable &, Sustainable Energy Reviews 94, 115 (2018). http://doi.org/10.1016/J.RSER.2018.06.007
Abstract: Companies dealing with chemical products have to cope with large amounts of waste and environmental risk due to the use and production of toxic substances. Against this background, increasing attention is being paid to green chemistry and the translation of this concept into biobased chemicals. Given the multitude of economic, environmental and societal impacts that the production and use of biobased chemicals have on sustainability, assessment approaches need to be developed that allow for measurement and comparison of these impacts. To evaluate sustainability in the context of policy and decision-making, indicators are generally accepted means. However, sustainability indicators currently predominantly exist for low-value applications in the bioeconomy, like bioenergy and biofuels. In this paper, a review of the state-of-the-art sustainability indicators for biobased chemicals is conducted and a gap analysis is performed to identify indicator development needs. Based on the analysis, a clear hierarchy within the concept of sustainability is found where the environmental aspect dominates over economic and social indicators. All one-dimensional indicator-sets account for environmental impacts (50%), whereas two-dimensional sets complement the environmental issues with economic indicators (34%). Moreover, even the sets encompassing all three sustainability dimensions (16%) do not account for the dynamics and interlinkages between the environment, economy and society. Using results from the literature review, an indicator list is presented that captures all indicators currently used within sustainability assessment of biobased chemicals. Finally, a framework is proposed for future indicator selection using a stakeholder survey to obtain a prioritized list of sustainability indicators for biobased chemicals.
Keywords: A1 Journal article; Economics; Engineering sciences. Technology; Engineering Management (ENM)
Impact Factor: 8.05
Times cited: 17
DOI: 10.1016/J.RSER.2018.06.007
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“Tuning electronic and magnetic properties of monolayer \alpha-RuCl3 by in-plane strain”. Iyikanat F, Yagmurcukardes M, Senger RT, Sahin H, Journal of materials chemistry C : materials for optical and electronic devices 6, 2019 (2018). http://doi.org/10.1039/C7TC05266A
Abstract: By employing density functional theory-based methods, the structural, vibrational, electronic, and magnetic properties of monolayer -RuCl3 were investigated. It was demonstrated that ferromagnetic (FM) and zigzag-antiferromagnetic (ZZ-AFM) spin orders in the material have very close total energies with the latter being the ground state. We found that each Ru atom possesses a magnetic moment of 0.9 (B) and the material exhibits strong magnetic anisotropy. While both phases exhibit indirect gaps, the FM phase is a magnetic semiconductor and the ZZ-AFM phase is a non-magnetic semiconductor. The structural stability of the material was confirmed by phonon calculations. Moreover, dynamical analysis revealed that the magnetic order in the material can be monitored via Raman measurements of the crystal structure. In addition, the magnetic ground state of the material changes from ZZ-AFM to FM upon certain applied strains. Valence and conduction band-edges of the material vary considerably under in-plane strains. Owing to the stable lattice structure and unique and controllable magnetic properties, monolayer -RuCl3 is a promising material in nanoscale device applications.
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 5.256
Times cited: 16
DOI: 10.1039/C7TC05266A
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“Propagation of a plasma streamer in catalyst pores”. Zhang Q-Z, Bogaerts A, Plasma sources science and technology 27, 035009 (2018). http://doi.org/10.1088/1361-6595/aab47a
Abstract: Although plasma catalysis is gaining increasing interest for various environmental applications, the underlying mechanisms are still far from understood. For instance, it is not yet clear whether and how plasma streamers can propagate in catalyst pores, and what is the minimum pore size to make this happen. As this is crucial information to ensure good plasma-catalyst interaction, we study here the mechanism of plasma streamer propagation in a catalyst pore, by means of a twodimensional particle-in-cell/Monte Carlo collision model, for various pore diameters in the nm range to μm-range. The so-called Debye length is an important criterion for plasma penetration into catalyst pores, i.e. a plasma streamer can penetrate into pores when their diameter is larger than the Debye length. The Debye length is typically in the order of a few 100 nm up to 1 μm at the conditions under study, depending on electron density and temperature in the plasma streamer. For pores in the range of ∼50 nm, plasma can thus only penetrate to some extent and at
very short times, i.e. at the beginning of a micro-discharge, before the actual plasma streamer reaches the catalyst surface and a sheath is formed in front of the surface. We can make plasma streamers penetrate into smaller pores (down to ca. 500 nm at the conditions under study) by increasing the applied voltage, which yields a higher plasma density, and thus reduces the Debye length. Our simulations also reveal that the plasma streamers induce surface charging of the catalyst pore sidewalls, causing discharge enhancement inside the pore, depending on pore diameter and depth.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 16
DOI: 10.1088/1361-6595/aab47a
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“Epitaxial stress-free growth of high crystallinity ferroelectric PbZr0.52Ti0.48O3 on GaN/AlGaN/Si(111) substrate”. Li L, Liao Z, Gauquelin N, Minh Duc Nguyen, Hueting RJE, Gravesteijn DJ, Lobato I, Houwman EP, Lazar S, Verbeeck J, Koster G, Rijnders G, Advanced Materials Interfaces 5, 1700921 (2018). http://doi.org/10.1002/ADMI.201700921
Abstract: <script type='text/javascript'>document.write(unpmarked('Due to its physical properties gallium-nitride (GaN) is gaining a lot of attention as an emerging semiconductor material in the field of high-power and high-frequency electronics applications. Therefore, the improvement in the performance and/or perhaps even extension in functionality of GaN based devices would be highly desirable. The integration of ferroelectric materials such as lead-zirconate-titanate (PbZrxTi1-xO3) with GaN has a strong potential to offer such an improvement. However, the large lattice mismatch between PZT and GaN makes the epitaxial growth of Pb(Zr1-xTix)O-3 on GaN a formidable challenge. This work discusses a novel strain relaxation mechanism observed when MgO is used as a buffer layer, with thicknesses down to a single unit cell, inducing epitaxial growth of high crystallinity Pb(Zr0.52Ti0.48)O-3 (PZT) thin films. The epitaxial PZT films exhibit good ferroelectric properties, showing great promise for future GaN device applications.'));
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 4.279
Times cited: 15
DOI: 10.1002/ADMI.201700921
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Mannaerts D, Faes E, Cos P, Briedé, JJ, Gyselaers W, Cornette J, Gorbanev Y, Bogaerts A, Spaanderman M, Van Craenenbroeck E, Jacquemyn Y, Torrens C (2018) Oxidative stress in healthy pregnancy and preeclampsia is linked to chronic inflammation, iron status and vascular function. e0202919
Abstract: Background
During normal pregnancy, placental oxidative stress (OS) is present during all three trimesters and is necessary to obtain normal cell function. However, if OS reaches a certain level, pregnancy complications might arise. In preeclampsia (PE), a dangerous pregnancy specific hypertensive disorder, OS induced in the ischemic placenta causes a systemic inflammatory response and activates maternal endothelial cells. In this study, we aimed to quantify superoxide concentrations (as a measure of systemic OS) using electron paramagnetic resonance (EPR) and correlate them to markers of systemic inflammation, iron status and vascular function.
Methods
Fifty-nine women with a healthy pregnancy (HP), 10 non-pregnant controls (NP) and 28 PE patients (32±3.3weeks) were included. During HP, blood samples for superoxide, neutrophil to lymphocyte ratio (NLR), mean platelet volume (MPV) and iron status were taken at 10, 25 and 39 weeks. Vascular measurements for arterial stiffness (carotid-femoral pulse wave velocity (CF-PWV), augmentation index (AIx), augmentation Pressure (AP)) and microvascular endothelial function (reactive hyperemia index (RHI)) were performed at 35 weeks. In PE, all measurements were performed at diagnosis. CMH (1-hydroxy-3-methoxycarbonyl-2,2,5,5-tetramethylpyrrolidine) was used as spin probe for EPR, since the formed CM radical
corresponds to the amount of superoxide.
Results
Superoxide concentration remains stable during pregnancy (p = 0.92), but is significantly higher compared to the NP controls (p<0.0001). At 25 weeks, there is a significant positive correlation between superoxide and ferritin concentration. (p = 0.04) In PE, superoxide, systemic inflammation and iron status are much higher compared to HP (all p<0.001). During HP, superoxide concentrations correlate significantly with arterial stiffness (all p<0.04), while in PE superoxide is significantly correlated to microvascular endothelial function (p = 0.03).
Conclusions
During HP there is an increased but stable oxidative environment, which is correlated to ferritin concentration. If superoxide levels increase, there is an augmentation in arterial stiffness. In PE pregnancies, systemic inflammation and superoxide concentrations are higher and result in a deterioration of endothelial function. Together, these findings support the hypothesis that vascular function is directly linked to the amount of OS and that measurement of OS in combination with vascular function tests might be used in the prediction of PE.
Keywords: University Hospital Antwerp; A1 Journal article; Engineering sciences. Technology; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT); Antwerp Surgical Training, Anatomy and Research Centre (ASTARC); Translational Pathophysiological Research (TPR)
Impact Factor: 2.806
Times cited: 15
DOI: 10.1371/journal.pone.0202919
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“Recent Advances in Transmission Electron Microscopy for Materials Science at the EMAT Lab of the University of Antwerp”. Guzzinati G, Altantzis T, Batuk M, De Backer A, Lumbeeck G, Samaee V, Batuk D, Idrissi H, Hadermann J, Van Aert S, Schryvers D, Verbeeck J, Bals S, Materials 11, 1304 (2018). http://doi.org/10.3390/ma11081304
Abstract: The rapid progress in materials science that enables the design of materials down to the nanoscale also demands characterization techniques able to analyze the materials down to the same scale, such as transmission electron microscopy. As Belgium’s foremost electron microscopy group, among the largest in the world, EMAT is continuously contributing to the development of TEM techniques, such as high-resolution imaging, diffraction, electron tomography, and spectroscopies, with an emphasis on quantification and reproducibility, as well as employing TEM methodology at the highest level to solve real-world materials science problems. The lab’s recent contributions are presented here together with specific case studies in order to highlight the usefulness of TEM to the advancement of materials science.
Keywords: A1 Journal article; Electron microscopy for materials research (EMAT)
Impact Factor: 2.654
Times cited: 15
DOI: 10.3390/ma11081304
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“Spectral field mapping in plasmonic nanostructures with nanometer resolution”. Krehl J, Guzzinati G, Schultz J, Potapov P, Pohl D, Martin J, Verbeeck J, Fery A, Büchner B, Lubk A, Nature communications 9, 4207 (2018). http://doi.org/10.1038/s41467-018-06572-9
Abstract: Plasmonic nanostructures and -devices are rapidly transforming light manipulation technology by allowing to modify and enhance optical fields on sub-wavelength scales. Advances in this field rely heavily on the development of new characterization methods for the fundamental nanoscale interactions. However, the direct and quantitative mapping of transient electric and magnetic fields characterizing the plasmonic coupling has been proven elusive to date. Here we demonstrate how to directly measure the inelastic momentum transfer of surface plasmon modes via the energy-loss filtered deflection of a focused electron beam in a transmission electron microscope. By scanning the beam over the sample we obtain a spatially and spectrally resolved deflection map and we further show how this deflection is related quantitatively to the spectral component of the induced electric and magnetic fields pertaining to the mode. In some regards this technique is an extension to the established differential phase contrast into the dynamic regime.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 12.124
Times cited: 15
DOI: 10.1038/s41467-018-06572-9
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“Bio(inspired) strategies for the electro-sensing of β-lactam antibiotics”. Bottari F, Blust R, De Wael K, Current opinion in electrochemistry 10, 143 (2018). http://doi.org/10.1016/J.COELEC.2018.05.016
Abstract: The dire previsions of the WHO on the so-called “post-antibiotic era” and the continuous and global rise of anti-microbial resistance, spurs our research community to find better ways to fight these threats. In light of this severe threat to human health many attempts have been made to develop efficient methods to detect antibiotic residues in different streams. The use of electrochemistry seems an inviting approach for on-site and fast monitoring. In this critical review, recent developments in the field of (bio) electro-sensing of 19-lactam antibiotics will be presented, with a focus on aptamers and molecularly imprinted polymers, the two main promises of a new generation of biosensors, yet to be fulfilled.
Keywords: A1 Journal article; AXES (Antwerp X-ray Analysis, Electrochemistry and Speciation)
Times cited: 15
DOI: 10.1016/J.COELEC.2018.05.016
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“Electrical generation of terahertz blackbody radiation from graphene”. Dong HM, Xu W, Peeters FM, Optics express 26, 24621 (2018). http://doi.org/10.1364/OE.26.024621
Abstract: Recent experimental work on the application of graphene for novel illumination motivated us to present a theoretical study of the blackbody radiation emission from a freely suspended graphene driven by a dc electric field. Strong terahertz (THz) emission, with intensity up to mW/cm(2), can be generated with increasing electric field strength due to the heating of electrons in graphene. We show that the intensity of the THz emission generated electrically from graphene depends rather sensitively on the lattice temperature in relatively weak electric fields, whereas it is less sensitive to the lattice temperature in relative strong electric fields. Our study highlights the practical application of graphene as intense THz source where the radiation is generated electrically. (C) 2018 Optical Society of America under the terms of the OSA Open Access Publishing Agreement
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 3.307
Times cited: 14
DOI: 10.1364/OE.26.024621
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“Magnetic field dependence of the atomic collapse state in graphene”. Moldovan D, Masir MR, Peeters FM, 2D materials 5, 015017 (2018). http://doi.org/10.1088/2053-1583/AA9647
Abstract: <script type='text/javascript'>document.write(unpmarked('Quantum electrodynamics predicts that heavy atoms (Z \u003E Z(c) approximate to 170) will undergo the process of atomic collapse where electrons sink into the positron continuum and a new family of so-called collapsing states emerges. The relativistic electrons in graphene exhibit the same physics but at a much lower critical charge (Z(c) approximate to 1) which has made it possible to confirm this phenomenon experimentally. However, there exist conflicting predictions on the effect of a magnetic field on atomic collapse. These theoretical predictions are based on the continuum Dirac-Weyl equation, which does not have an exact analytical solution for the interplay of a supercritical Coulomb potential and the magnetic field. Approximative solutions have been proposed, but because the two effects compete on similar energy scales, the theoretical treatment varies depending on the regime which is being considered. These limitations are overcome here by starting from a tight-binding approach and computing exact numerical results. By avoiding special limit cases, we found a smooth evolution between the different regimes. We predict that the atomic collapse effect persists even after the magnetic field is activated and that the critical charge remains unchanged. We show that the atomic collapse regime is characterized: (1) by a series of Landau level anticrossings and (2) by the absence of root B scaling of the Landau levels with regard to magnetic field strength.'));
Keywords: A1 Journal article; Condensed Matter Theory (CMT)
Impact Factor: 6.937
Times cited: 13
DOI: 10.1088/2053-1583/AA9647
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“The role of the electrode surface in Na-Air batteries : insights in electrochemical product formation and chemical growth of NaO2”. Lutz L, Corte DAD, Chen Y, Batuk D, Johnson LR, Abakumov A, Yate L, Azaceta E, Bruce PG, Tarascon J-M, Grimaud A, Advanced energy materials 8, 1701581 (2018). http://doi.org/10.1002/AENM.201701581
Abstract: The Na-air battery, because of its high energy density and low charging overpotential, is a promising candidate for low-cost energy storage, hence leading to intensive research. However, to achieve such a battery, the role of the positive electrode material in the discharge process must be understood. This issue is herein addressed by exploring the electrochemical reduction of oxygen, as well as the chemical formation and precipitation of NaO2 using different electrodes. Whereas a minor influence of the electrode surface is demonstrated on the electrochemical formation of NaO2, a strong dependence of the subsequent chemical precipitation of NaO2 is identified. In the origin, this effect stems from the surface energy and O-2/O-2(-) affinity of the electrode. The strong interaction of Au with O-2/O-2(-) increases the nucleation rate and leads to an altered growth process when compared to C surfaces. Consequently, thin (3 mu m) flakes of NaO2 are found on Au, whereas on C large cubes (10 mu m) of NaO2 are formed. This has significant impact on the cell performance and leads to four times higher capacity when C electrodes with low surface energy and O-2/O-2(-) affinity are used. It is hoped that these findings will enable the design of new positive electrode materials with optimized surfaces.
Keywords: A1 Journal article; Engineering sciences. Technology; Electron microscopy for materials research (EMAT)
Impact Factor: 16.721
Times cited: 13
DOI: 10.1002/AENM.201701581
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“Importance of surface charging during plasma streamer propagation in catalyst pores”. Zhang Q-Z, Wang W-Z, Bogaerts A, Plasma sources science and technology 27, 065009 (2018). http://doi.org/10.1088/1361-6595/aaca6d
Abstract: Plasma catalysis is gaining increasing interest, but the underlying mechanisms are far from understood. Different catalyst materials will have different chemical effects, but in addition, they might also have different dielectric constants, which will affect surface charging, and thus the plasma behavior. In this work, we demonstrate that surface charging plays an important role in the streamer propagation and discharge enhancement inside catalyst pores, and in the plasma distribution along the dielectric surface, and this role greatly depends on the dielectric constant of the material. For εr50, surface charging causes the plasma to spread along the dielectric surface and inside the pores, leading to deeper plasma streamer penetration, while for εr>50 or for metallic coatings, the discharge is more localized, due to very weak surface charging. In addition, at εr=50, the significant surface charge density near the pore entrance causes a large potential drop at the sharp pore edges, which induces a strong electric field and results in most pronounced plasma enhancement near the pore entrance.
Keywords: A1 Journal article; Plasma Lab for Applications in Sustainability and Medicine – Antwerp (PLASMANT)
Impact Factor: 3.302
Times cited: 13
DOI: 10.1088/1361-6595/aaca6d
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“Nonlinear light mixing by graphene plasmons”. Kundys D, Van Duppen B, Marshall OP, Rodriguez F, Torre I, Tomadin A, Polini M, Grigorenko AN, Nano letters 18, 282 (2018). http://doi.org/10.1021/ACS.NANOLETT.7B04114
Abstract: <script type='text/javascript'>document.write(unpmarked('Graphene is known to possess strong optical nonlinearity which turned out to be suitable for creation of efficient saturable absorbers in mode locked fiber lasers. Nonlinear response of graphene can be further enhanced by the presence of graphene plasmons. Here, we report a novel nonlinear effect observed in nanostructured graphene which comes about due to excitation of graphene plasmons. We experimentally detect and theoretically explain enhanced mixing of near-infrared and mid-infrared light in arrays of graphene nanoribbons. Strong compression of light by graphene plasmons implies that the described effect of light mixing is nonlocal in nature and orders of magnitude larger than the conventional local graphene nonlinearity. Both second and third order nonlinear effects were observed in our experiments with the recalculated third-order nonlinearity coefficient reaching values of 4.5 x 10(-6) esu. The suggested effect could be used in variety of applications including nonlinear light modulators, light multiplexers, light logic, and sensing devices.'));
Keywords: A1 Journal article; Engineering sciences. Technology; Condensed Matter Theory (CMT)
Impact Factor: 12.712
Times cited: 12
DOI: 10.1021/ACS.NANOLETT.7B04114
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