| 1. |
- Ahmad, Arslan, et al.
(författare)
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Arsenite removal in groundwater treatment plants by sequential Permanganate-Ferric treatment
- 2018
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Ingår i: Journal of Water Process Engineering. - : ELSEVIER SCIENCE BV. - 2214-7144. ; 26, s. 221-229
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Tidskriftsartikel (refereegranskat)abstract
- The Dutch drinking water sector is actively investigating methods to reduce arsenic (As) to < 1 mu g/L in drinking water supply. We investigated (1) the effectiveness of sequential permanganate (MnO4-)-ferric (Fe(III)) dosing during aeration-rapid sand filtration to achieve < 1 mu g/L As (2) the influence of MnO4--Fe(III) dosing on preestablished removal patterns of As(III), Fe(II), Mn(II) and NH4+ in rapid sand filters and (3) the influence of MnO4--Fe(III) dosing on the settling and molecular-scale structural properties of the filter backwash solids. We report that MnO4--Fe(III) dosing is an effective technique to improve arsenite [As(III)] removal at groundwater treatment plants. At a typical aeration-rapid sand filtration facility in the Netherlands effluent As concentrations of < 1 mu g/L were achieved with 1.2 mg/L MnO4--and 1.8 mg/L Fe(III). The optimized combination of MnO4-and Fe(III) doses did not affect the removal efficiency of Fe(II), Mn(II) and NH4+ in rapid sand filters, however, the removal patterns of Fe(II) and Mn(II) in rapid sand filter were altered, as well as the settling behaviour of backwash solids. The characterization of backwash solids by Fe K-edge X-ray absorption spectroscopy (XAS) and X-ray diffraction (XRD) showed that the changed settling velocity of backwash solids with MnO4-Fe(III) in place was not due to changes in the molecular-scale structure of Fe-precipitates that constitute the major portion of the backwash solids.
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| 2. |
- Casellas, Nicolas M., et al.
(författare)
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Resistive switching in an organic supramolecular semiconducting ferroelectric
- 2019
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Ingår i: Chemical Communications. - : ROYAL SOC CHEMISTRY. - 1359-7345 .- 1364-548X. ; 55:60, s. 8828-8831
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Tidskriftsartikel (refereegranskat)abstract
- The combination of switchable dipolar side groups and the semiconducting core of the newly synthetized C-3-symmetric benzotrithiophene molecule (BTTTA) leads to an ordered columnar material showing continuous tunability from injection- to bulk-limited conductivity modulation.
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| 3. |
- Cornelissen, Tim, et al.
(författare)
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Kinetic Monte Carlo simulations of organic ferroelectrics
- 2019
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Ingår i: Physical Chemistry, Chemical Physics - PCCP. - : ROYAL SOC CHEMISTRY. - 1463-9076 .- 1463-9084. ; 21:3, s. 1375-1383
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Tidskriftsartikel (refereegranskat)abstract
- Ferroelectrics find broad applications, e.g. in non-volatile memories, but the switching kinetics in real, disordered, materials is still incompletely understood. Here, we develop an electrostatic model to study ferroelectric switching using 3D Monte Carlo simulations. We apply this model to the prototypical small molecular ferroelectric trialkylbenzene-1,3,5-tricarboxamide (BTA) and find good agreement between the Monte Carlo simulations, experiments, and molecular dynamics studies. Since the model lacks any explicit steric effects, we conclude that these are of minor importance. While the material is shown to have a frustrated antiferroelectric ground state, it behaves as a normal ferroelectric under practical conditions due to the large energy barrier for switching that prevents the material from reaching its ground state after poling. We find that field-driven polarization reversal and spontaneous depolarization have orders of magnitude different switching kinetics. For the former, which determines the coercive field and is relevant for data writing, nucleation occurs at the electrodes, whereas for the latter, which governs data retention, nucleation occurs at disorder-induced defects. As a result, by reducing the disorder in the system, the polarization retention time can be increased dramatically while the coercive field remains unchanged.
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| 4. |
- Cornelissen, Tim, et al.
(författare)
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Microscopic model for switching kinetics in organic ferroelectrics following the Merz law
- 2020
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Ingår i: Physical Review B. - : AMER PHYSICAL SOC. - 2469-9950 .- 2469-9969. ; 101:21
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Tidskriftsartikel (refereegranskat)abstract
- From an application perspective, one of the most important parameters of a ferroelectric is its switching time, and understanding its limiting factors is key to improve device performance. While there is a variety of competing models for switching kinetics in realistic (disordered) ferroelectrics, they are often merely descriptive and provide little insight into the underlying microscopic mechanisms. This holds in particular for the classical Merz law, which describes the commonly observed exponential field dependence of the switching time. Here, we investigate the switching kinetics in the archetypical molecular ferroelectric trialkylbenzene-1,3,5-tricarboxamide using an electrostatic kinetic Monte Carlo model. The simulated field dependence follows the Merz law, which shows that a simple system of interacting dipoles is sufficient to obtain this behavior, even without explicitly considering domain walls or defects that are commonly thought to be involved in the emergence of the Merz law. Through a detailed analysis of the nucleation process, we can relate the macroscopic switching time to the microscopic nucleation energy barrier, which in turn is related to a field-dependent nucleus size. Finally, we use the acquired insight into the nucleation process to derive the Merz law from the theory of thermally activated nucleation-limited switching. This analytical model provides a physically transparent description of the switching kinetics in both experiments and simulations.
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| 5. |
- Cornelissen, Tim, 1993-
(författare)
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Switching Kinetics and Charge Transport in Organic Ferroelectrics
- 2020
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Doktorsavhandling (övrigt vetenskapligt/konstnärligt)abstract
- The continued digitalization of our society means that more and more things are getting connected electronically. Since currently used inorganic electronics are not well suited for these new applications because of costs and environmental issues, organic electronics can play an important role here. These essentially plastic materials are cheap to produce and relatively easy to recycle. Unfortunately, their poor performance has so far hindered widespread application beyond displays.One key component of any electronic device is the memory. For organic electronics several technologies are being investigated that could serve as memories. One of these are the ferroelectrics, materials that have a spontaneous electrical polarization that can be reversed with an electric field. This bistable polarization which shows hysteresis makes these materials excellent candidates for use as memories.This thesis focuses on a specific type of organic ferroelectric, the supramolecular discotics. These materials consist of disk‐like molecules that form columns in which all dipolar groups are aligned, giving a macroscopic ferroelectric polarization. Of particular interest are the benzenetricarboxamides (BTA), which are used as a model system for the whole class of discotic ferroelectrics. BTA uses a core‐shell architecture which allows for easy modification of the molecular structure and thereby the ferroelectric properties. To gain a deeper understanding of the switching processes in this organic ferroelectric BTA, both microscopic and analytical modeling are used. This is supported by experimental data obtained through electrical characterization.The microscopic model reduces the material to a collection of dipoles and uses electrostatics to calculate the probability that these dipoles flip. These flipping rates are the input for a kinetic Monte Carlo simulation (kMC), which simulates the behavior of the dipoles over time. With this model we simulated three different switching processes on experimental time and length scales: hysteresis loops, spontaneous depolarization, and switching transients. The results of these simulations showed a good agreement with experiments and we can rationalize the obtained parameter dependencies in the framework of thermally activated nucleation limited switching (TA‐NLS).The microscopic character of the model allows for a unique insight into the nucleation process of the polarization switching. We found that nucleation happens at different locations for field driven polarization switching as compared to spontaneous polarization switching. Field‐driven nucleation happens at the contacts, whereas spontaneous depolarization starts at defects. This means that retention times in disordered ferroelectrics could be improved by reducing the disorder, without affecting the coercive field. Detailed analysis of the nucleation process also revealed a critical nucleation volume that decreases with applied field, which explains the Merz‐like field‐dependence of the switching time observed in experiments.In parallel to these microscopic simulations we developed an analytical framework based on the theory of TA‐NLS. This framework is mainly focused on describing the switching transients of disordered ferroelectrics. It can be combined with concepts of the Preisach model, which considers a non‐ideal ferroelectric as a collection of ideal hysterons. We were able to relate these hysterons and the distribution in their up‐ and down‐switching fields to the microscopic structure of the material and use the combined models to explain experimentally observed dispersive switching kinetics.Whereas ferroelectrics on their own could potentially serve as memories, the readout of ferroelectric memories becomes easier if they are combined with semiconductors. We have introduced several molecular materials following the same design principle of a core‐shell structure, which uniquely combine ferroelectricity and semiconductivity in one material. The experimental IV‐curves of these materials could be described using an asymmetric Marcus hopping model and show their potential as memories. The combination of modeling and experimental work in this thesis thereby provides an increased understanding of organic ferroelectrics, which is crucial for their application as memories.
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| 6. |
- Gorbunov, Andrey V., et al.
(författare)
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Ferroelectric self-assembled molecular materials showing both rectifying and switchable conductivity
- 2017
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Ingår i: Science Advances. - : AMER ASSOC ADVANCEMENT SCIENCE. - 2375-2548. ; 3:9
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Tidskriftsartikel (refereegranskat)abstract
- Advanced molecular materials that combine two or more physical properties are typically constructed by combining different molecules, each being responsible for one of the properties required. Ideally, single molecules could take care of this combined functionality, provided they are self-assembled correctly and endowed with different functional subunits whose strong electronic coupling may lead to the emergence of unprecedented and exciting properties. We present a class of disc-like semiconducting organic molecules that are functionalized with strong dipolar side groups. Supramolecular organization of these materials provides long-range polar order that supports collective ferroelectric behavior of the side groups as well as charge transport through the stacked semiconducting cores. The ferroelectric polarization in these supramolecular polymers is found to couple to the charge transport and leads to a bulk conductivity that is both switchable and rectifying. An intuitive model is developed and found to quantitatively reproduce the experimental observations. In a larger perspective, these results highlight the possibility of modulating material properties using the large electric fields associated with ferroelectric polarization.
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| 7. |
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| 8. |
- Hooge, Ignace, et al.
(författare)
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The art of braking : post saccadic oscillations in the eye tracker signal decrease with increasing saccade size
- 2015
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Ingår i: Vision Research. - : Elsevier BV. - 1878-5646 .- 0042-6989. ; 112, s. 55-67
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Tidskriftsartikel (refereegranskat)abstract
- Abstract in Undetermined Recent research has shown that the pupil signal from video-based eye trackers contains post saccadic oscillations (PSOs). These reflect pupil motion relative to the limbus (Nyström, Hooge, & Holmqvist, 2013). More knowledge about video-based eye tracker signals is essential to allow comparison between the findings obtained from modern systems, and those of older eye tracking technologies (e.g. coils and measurement of the Dual Purkinje Image-DPI). We investigated PSOs in horizontal and vertical saccades of different sizes with two high quality video eye trackers. PSOs were very similar within observers, but not between observers. PSO amplitude decreased with increasing saccade size, and this effect was even stronger in vertical saccades; PSOs were almost absent in large vertical saccades. Based on this observation we conclude that the occurrence of PSOs is related to deceleration at the end of a saccade. That PSOs are saccade size dependent and idiosyncratic is a problem for algorithmic determination of saccade endings. Careful description of the eye tracker, its signal, and the procedure used to extract saccades is required to enable researchers to compare data from different eye trackers.
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| 9. |
- Kupryianchyk, Darya, et al.
(författare)
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Positioning Activated Carbon Amendment Technologies in a Novel Framework for Sediment Management
- 2015
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Ingår i: Integrated Environmental Assessment and Management. - : Wiley. - 1551-3777 .- 1551-3793. ; 11:2, s. 221-234
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Forskningsöversikt (refereegranskat)abstract
- Contaminated sediments can pose serious threats to human health and the environment by acting as a source of toxic chemicals. The amendment of contaminated sediments with strong sorbents like activated C (AC) is a rapidly developing strategy to manage contaminated sediments. To date, a great deal of attention has been paid to the technical and ecological features and implications of sediment remediation with AC, although science in this field still is rapidly evolving. This article aims to provide an update on the recent literature on these features, and for the first time provides a comparison of sediment remediation with AC to other sediment management options, emphasizing their full-scale application. First, a qualitative overview of advantages and disadvantages of current alternatives to remediate contaminated sediments is presented. Subsequently, AC treatment technology is critically reviewed, including current understanding of the effectiveness and ecological safety for the use of AC in natural systems. Finally, this information is used to provide a novel framework for supporting decisions concerning sediment remediation and beneficial reuse.
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| 10. |
- Niehorster, Diederick C, et al.
(författare)
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Searching with and against each other
- 2017
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Ingår i: Journal of Eye Movement Research. - 1995-8692. ; 10:6, s. 146-146
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Konferensbidrag (refereegranskat)
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