Large Differences In Mobility Research Articles

Numerical simulation of electrically pumped active vertical‐cavity surface‐emitting lasers diodes based on metal halide perovskite

AbstractMetal halide perovskites (MHP)‐based electrically pumped vertical‐cavity surface‐emitting lasers (EPVCSEL) are promising candidates in optoelectronics due to low‐carbon footprint solution processing method. However, significant challenges impede MHP‐EPVCSEL manufacturing: (1) Distributed Bragg Reflectors (DBRs) composed of typical electron transport layers (ETLs) and hole transport layers (HTLs) are not conductive enough. (2) Due to large mobility difference of typical ETLs and HTLs, carriers‐unbalanced injection leads to severe performance degradation. Herein, we propose a potential strategy to address such challenges using MAPbCl3 and CsSnCl3 as carrier transport layers with mobility 3 orders larger than typical ETLs and HTLs. Via transfer matrix method calculations, we find that the reflectance of DBRs composed of MAPbCl3 (130.5 nm)/CsSnCl3 (108 nm) is larger than 91% with 10 pairs of DBRs. Furthermore, the proposed EPVCSEL device simulation shows that MHP‐EPVCSEL has the potential to achieve room temperature continuous wave lasing with a threshold current density of ∼69 A cm−2 and output optical power ∼10−4 W. This work can provide a deep insight into the practical realization of MHP‐EPVCSEL.

Methanol oxidation over shell-core MOx/Fe2O3 (M = Mo, V, Nb) catalysts

We present a comparison of Mo, V and Nb oxides as shell materials atop haematite cores used for selective methanol oxidation. While Mo and V both yield high selectivity to formaldehyde, Nb does not. Very different reactivity patterns are seen for Nb, which mainly shows dehydrogenation (to CO) and dehydration (to DME), indicating the lack of a complete shell, while Raman spectroscopy shows that the Mo and V formation process is not followed by NbO x . We suggest this is due to the large differences in mobility within the solid materials during formation, NbO x requiring significantly higher (and deleterious) calcination temperatures to allow sufficient mobility for shell completion. CMethanol oxidation on three surface oxides on Fe 2 O 3 showing the main carbon products. Mo and V monolayers are selective to formaldehyde, while Nb does not make complete monolayers and mainly combusts to CO 2 .

Self-Organization and Charge Transport Properties of Selenium and Tellurium Analogues of Polythiophene.

A series of conjugated polymers comprising polythiophene, polyselenophene, and polytellurophene with branched 3,7-dimethyloctyl side chains, well-matched molecular weight, dispersity, and regioregularity is synthesized. The ionization potential is found to vary from 5.14 to 5.32 eV, with polytellurophene having the lowest potential. Field-effect transistors based on these materials exhibit distinct hole transport mobility that varies by nearly three orders of magnitude, with polytellurophene having the highest mobility (2.5 × 10-2 cm² V-1 s-1 ). The large difference in mobility demonstrates the significant impact of heteroatom substitution. Although the series of polymers are very similar in structure, their solid-state properties are different. While the thin film microstructure of polythiophene and polyselenophene is identical, polytellurophene reveals globular features in the film topography. Polytellurophenes also appear to be the least crystalline, even though their charge transport properties are superior to other samples. The torsional barrier and degree of planarity between repeat units increase as one moves down group-16 elements. These studies show how a single atom in a polymer chain can have a substantial influence on the bulk properties of a material, and that heavy group-16 atoms have a positive influence on charge transport properties when all other variables are kept unchanged.

Adherence to driving cessation advice given to patients with cognitive impairment and consequences for mobility

BackgroundDriving is related to social participation; therefore older drivers may be reluctant to cease driving. Continuation of driving has also been reported in a large proportion of patients with cognitive impairment. The aim of this study is to investigate whether patients with cognitive impairment adhere to driving cessation advice after a fitness-to-drive assessment and what the consequences are with regard to mobility.MethodsPatients with cognitive impairment (n = 172) participated in a fitness-to-drive assessment study, including an on-road driving assessment. Afterwards, patients were advised to either continue driving, to follow driving lessons, or to cease driving. Approximately seven months thereafter, patients were asked in a follow-up interview about their adherence to the driving recommendation. Factors influencing driving cessation were identified using a binary logistic regression analysis. Use of alternative transportation was also evaluated.ResultsRespectively 92 and 79% of the patients adhered to the recommendation to continue or cease driving. Female gender, a higher Clinical Dementia Rating-score, perceived health decline, and driving cessation advice facilitated driving cessation. Patients who ceased driving made use of less alternative modes of transportation than patients who still drove. Nonetheless, around 40% of the patients who ceased driving increased their frequency of cycling and/or public transport use.ConclusionsAdherence to the recommendations given after the fitness-to-drive assessments was high. Female patients were in general more likely to cease driving. However, a minority of patients did not adhere to driving cessation advice. These drivers with dementia should be made aware of the progression of their cognitive impairment and general health decline to facilitate driving cessation. There are large differences in mobility between patients with cognitive impairment. Physicians should discuss options for alternative transportation in order to promote sustained safe mobility of patients with cognitive impairment.

Novel photocatalytic water splitting solar-to-hydrogen energy conversion: CdLa2S4 and CdLa2Se4 ternary semiconductor compounds.

Comprehensive ab initio calculations from first- to second-principles methods are performed to investigate the suitability of non-centro-symmetric CdLa2S4 and CdLa2Se4 to be used as active photocatalysts under visible light illumination. The calculations reveal the direct band gap nature of both compounds with large absorption coefficients (104-105 cm-1). The absorption edges of CdLa2S4 and CdLa2Se4 occur at λ = 579.3 nm and λ = 670.1 nm, and the optical band gaps are estimated to be 2.14 eV and 1.85 eV for CdLa2S4 and CdLa2Se4, respectively. These gaps are larger than 1.23 eV the required optical band gap for photocatalytic performance to split water under visible light illumination. The calculated potentials of the conduction band and the valence band edges indicate that CdLa2S4 and CdLa2Se4 have strong reducing powers for H2 production. The obtained results reveal that the high photogenerated carrier mobility favors enhancement of the photocatalytic performance. It has been found that there is a large mobility difference between the electrons (e-) and the holes (h+), which is useful for the separation of e- and h+, reduction of e- and h+ recombination rate, and improvement of the photocatalytic activity. Based on these findings, one can conclude that CdLa2S4 and CdLa2Se4 satisfied all requirements to be efficient photocatalysts. This will greatly improve the search efficiency and greatly help experiments to save resources in the exploration of new photocatalysts with good photocatalytic performances.

Active photocatalytic water splitting solar-to-hydrogen energy conversion: Chalcogenide photocatalyst Ba2ZnSe3 under visible irradiation

The photocatalytic performance of Ba2ZnSe3 is investigated by means of density functional theory. The investigation confirms that Ba2ZnSe3 possesses large birefringence, considerable anisotropy in the optical response, and the absorption edge occurs in the visible region. The estimated optical band gap of Ba2ZnSe3 is about 2.70eV, and the EPc and EPv are about −0.145 V(vs.NHE) and +2.605V (vs.NHE), respectively. Thus, Ba2ZnSe3 possesses a high negative reduction potential of excited electrons due to its higher CB position, and hence, the location of the CBM and VBM accommodates the redox capacity. Thus, the Ba2ZnSe3 photocatalyst is expected to exhibit superior activity in visible-light-driven photocatalytic H2 evolution. The electronic band structure shows high k-dispersion bands around the Fermi level, which implies low effective masses and, hence, the high mobility carriers enhance the charge transfer process. It was found that Ba2ZnSe3 possesses a great effective mass difference between electron (e−) and hole (h+), which can facilitate the e− and h+ migration and separation, and finally improve the photocatalytic performance. The observed large mobility difference in Ba2ZnSe3 is useful to the separation of e− and h+, reduction of the e− and h+ recombination rate, and improvement of the photocatalytic activity. Thus, Ba2ZnSe3 could be a good photocatalyst due to rapid generation of e−– h+ pairs with photoexcitation, and a high negative reduction potential of excited electrons due to its higher CB position. The excellent photocatalytic performance of Ba2ZnSe3 is due to hyperpolarizablity formed by ZnO4 tetrahedra and co-parallel BaSe7 polyhedra groups, and the layer structure favors the enhancement of the photocatalytic performance. The presence of the distorted (ZnO4)4− tetrahedral causes to increase the efficiency of the photocatalytic performance almost to double in comparison to other chalcogenide crystals. Based on these results, one can conclude that Ba2ZnSe3 satisfies all requirements to be an efficient photocatalyst. This will greatly improve the search efficiency and greatly help experiments to save resources in the exploration of new photocatalysts with good photocatalytic performance.

A Low-Temperature External Electron Retarding Electrode for Improving Vertical Green LED Performance

To alleviate the mismatch between electron/hole velocities and improve the quantum efficiencies, the cobalt-doped ZnO (CZO) dilute magnetic films grown by pulsed-laser deposition at a low temperature of 100 °C were served as the external electron retarding n-electrodes for vertical InGaN light-emitting diodes (LEDs). The retardation of the electron mobility is owing to the scatter of electrons via the spin-orbit interaction of Co2+ ions and their corresponding ferromagnetic properties. A 150-nm-thick CZO film was chosen as the n-electrode for the vertical green LED (530 nm). In comparison to conventional lateral LED, the vertical LEDs without and with the CZO n-electrode had 21.3% and 39.6% improvements in the output power (at 350 mA), respectively. The vertical LED with the CZO n-electrode showed an increment in the light output power (at 350 mA) by 15.1% as compared with the vertical LED without the CZO n-electrode. Obviously, after inserting the CZO n-electrode, the excessively large mobility difference between the electron and hole carriers in the conventional vertical LED is reduced significantly, which can decrease the nonradiative recombination rate and improve the emission characteristic. The results also reveal the CZO film served as an external electron retarding electrode is highly potential for vertical LED applications.

On the role of diluted magnetic cobalt-doped ZnO electrodes in efficiency improvement of InGaN light emitters

The 120-nm-thick cobalt-doped ZnO (Co-doped ZnO, CZO) dilute magnetic films deposited by pulsed laser deposition were employed as the n-electrodes for both lateral-type blue (450 nm) and green (520 nm) InGaN light emitters. In comparison to the conventional blue and green emitters, there were 15.9% and 17.7% enhancements in the output power (@350 mA) after fabricating the CZO n-electrode on the n-GaN layer. Observations on the role of CZO n-electrodes in efficiency improvement of InGaN light emitters were performed. Based on the results of Hall measurements, the carrier mobilities were 176 and 141 cm2/V s when the electrons passed through the n-GaN and the patterned-CZO/n-GaN, respectively. By incorporating the CZO n-electrode into the InGaN light emitters, the electrons would be scattered because of the collisions between the magnetic atoms and the electrons as the device is driven, leading to the reduction of the electron mobility. Therefore, the excessively large mobility difference between electron and hole carriers occurred in the conventional InGaN light emitter can be efficiently decreased after preparing the CZO n-electrode on the n-GaN layer, resulting in the increment of carrier recombination rate and the improvement of light output power.

Evaluation of DNA bending models in their capacity to predict electrophoretic migration anomalies of satellite DNA sequences

DNA containing a sequence that generates a local curvature exhibits a pronounced retardation in electrophoretic mobility. Various theoretical models have been proposed to explain relationship between DNA structural features and migration anomaly. Here, we studied the capacity of 15 static wedge-bending models to predict electrophoretic behavior of 69 satellite monomers derived from four divergent families. All monomers exhibited retarded mobility in PAGE corresponding to retardation factors ranging 1.02-1.54. The curvature varied both within and across the groups and correlated with the number, position, and lengths of A-tracts. Two dinucleotide models provided strong correlation between gel mobility and curvature prediction; two trinucleotide models were satisfactory while remaining dinucleotide models provided intermediate results with reliable prediction for subsets of sequences only. In some cases, similarly shaped molecules exhibited relatively large differences in mobility and vice versa. Generally less accurate predictions were obtained in groups containing less homogeneous sequences possessing distinct structural features. In conclusion, relatively universal theoretical models were identified suitable for the analysis of natural sequences known to harbor relatively moderate curvature. These models could be potentially applied to genome wide studies. However, in silico predictions should be viewed in context of experimental measurement of intrinsic DNA curvature.

Generation of alkali-free and high-proton concentration layer in a soda lime glass using non-contact corona discharge

Formation mechanisms of alkali-free and high-proton concentration surfaces were investigated for a soda lime glass using a corona discharge treatment under an atmospheric pressure. Protons produced by high DC voltage around an anode needle electrode were incorporated into a sodium ion site in the anode side glass. The sodium ion was swept away to the cathode side as a charge carrier. Then it was discharged. The precipitated sodium was transformed to a Na2CO3 powder when the surface contacted with air. The sodium ion in the glass surface layer of the anode side was replaced completely by protons. The concentration of OH groups in the layer was balanced with the amount of excluded sodium ions. The substitution reaction of sodium ions with protons tends to be saturated according to a square root function of time. The alkali depletion layer formation rate was affected by the large difference in mobility between sodium ions and protons in the glass.

Different microstructures of mobile twin boundaries in 10 M modulated Ni–Mn–Ga martensite

The morphology and microstructure of a single, macroscopically straight twin interface with a twinning stress of about 1MPa was analysed in detail by differential interference contrast optical microscopy and X-ray diffraction. The interface was identified as a Type I macrotwin boundary between two variants with a/b-laminates and constant modulation direction, in contrast with a highly mobile twinned interface consisting of Type II macrotwin boundary segments with changing modulation direction and a/b-laminate reported earlier. Theoretical analysis using elastic continuum theory shows that only pure Type I or Type II boundaries are fully compatible with a/b-laminate. Other hypothetical twin microstructures combining these two mobile interfaces are shown to be incompatible to various degrees. A weakly incompatible combination of Type I and II boundaries was experimentally observed. The large difference in mobility between Type I and Type II macrotwin boundaries created at the same location of the same sample indicates that the mobility depends on the internal structure of these boundaries. A possible origin of this different mobility is discussed.

An analysis of the difference in behavior of top and bottom contact organic thin film transistors using device simulation

This paper presents a systematic analysis of an already reported phenomenon, namely, the difference in device performance of top and bottom contact organic thin film transistors (OTFT) by combining experiments and two-dimensional device simulations. The mobility of the as measured devices in the bottom contact OTFT is found to be lower by two orders of magnitude than the top contact structure, which is generally attributed to the higher metal-semiconductor contact resistance in the bottom contact devices due to lower contact area. However, we found that this large mobility difference exists even after correcting for the metal-semiconductor contact resistance through transfer line method (TLM). This result suggests that structural differences are playing a dominant role in lowering down the performance of bottom contact devices. This effect is then systematically investigated through two-dimensional physics-based numerical simulations by considering several structural inhomogenities around the contacts. The main reason for such an occurrence is attributed to the poor morphology (or comparatively low mobility) of pentacene films around the source/drain electrodes in the bottom contact devices. Finally, we also show a reasonable match between the simulated and experimental device characteristics, enabling calibration of the simulator for further use in design of OTFTs.

The influence of mobility unbalance on GaN based vertical cavity surface emitting lasers

In this work, we discuss the influence of the large mobility difference between electrons and holes on the electrical injection properties of GaN based vertical cavity surface emitting lasers. This mobility unbalance is mainly responsible for the unfocusing of the electron and hole radiative recombination in the central region of the device where the electromagnetic field is confined.

Using available volume to predict fluid diffusivity in random media

We propose a simple equation for predicting self-diffusivity of fluids embedded in random matrices of identical, but dynamically frozen, particles (i.e., quenched-annealed systems). The only nontrivial input is the volume available to mobile particles, which also can be predicted for two common matrix types that reflect equilibrium and nonequilibrium fluid structures. The proposed equation can account for the large differences in mobility exhibited by quenched-annealed systems with indistinguishable static pair correlations, illustrating the key role that available volume plays in transport.

Model Analysis of Self- and Laser-Triggered Electrical Breakdown of Liquid Water for Pulsed-Power Applications

Electrical breakdown simulations for liquids, in response to a submicrosecond (~100-200 ns) voltage pulse, are carried out. It is shown that breakdown is initiated by field emission at the interface of preexisting microbubbles. Impact ionization within the microbubble gas then contributes to plasma development, with cathode injection having a delayed and secondary role. The model used in this paper adequately explains experimentally the observations of prebreakdown current fluctuations, streamer propagation and branching, as well as disparities in hold-off voltage and breakdown initiation times between the anode and the cathode polarities. It is demonstrated that polarity effects basically arise from the large mobility difference between electrons and ions. Breakdown is shown to occur either through the application of an overvoltage pulse, or be triggered by an external laser under electrical stress. With laser excitation, a string of point plasma formation is predicted, followed by rapidly propagating streamers and subsequent breakdown. This matches the recent work at Sandia National Laboratories

Local Field Effects on Electron Transport in Nanostructured TiO2 Revealed by Terahertz Spectroscopy

We study electron mobilities in nanoporous and single-crystal titanium dioxide with terahertz time domain spectroscopy. This ultrafast technique allows the determination of the electron mobility after carrier thermalization with the lattice but before equilibration with defect trapping states. The mobilities reported here for single-crystal rutile (1 cm2/(V s)) and porous TiO2 (10(-2) cm2/(V s)) therefore represent upper limits for electron transport at room temperature for defect-free materials. The large difference in mobility between bulk and porous samples is explained using Maxwell-Garnett effective medium theory. These results demonstrate that electron mobility is strongly dependent on the material morphology in nanostructured polar materials due to local field effects and cannot be used as a direct measure of the diffusion coefficient.

Analysis of polarity effects in the electrical breakdown of liquids

Electrical breakdown simulations are carried out for liquids in response to a sub-microsecond (∼100–200 ns) voltage pulse. This model builds on our previous analysis and focuses particularly on the polarity effect seen experimentally in point–plane geometries. The flux-corrected transport approach is used for the numerical implementation. Our model adequately explains experimental observations of pre-breakdown current fluctuations, streamer propagation and branching as well as disparities in hold-off voltage and breakdown initiation times between the anode and cathode polarities. It is demonstrated that polarity effects basically arise from the large mobility difference between electrons and ions. The higher electron mobility leads to greater charge smearing and diffusion that impacts the local electric field distributions. Non-linear couplings between the number density, electric field and charge generation rates then collectively affect the formation of ionized channels and their temporal dynamics.

Local Mobility in Lipid Domains of Supported Bilayers Characterized by Atomic Force Microscopy and Fluorescence Correlation Spectroscopy

Fluorescence correlation spectroscopy (FCS) is used to examine mobility of labeled probes at specific sites in supported bilayers consisting of 1,2-dipalmitoyl- sn-glycero-3-phosphocholine (DPPC) lipid domains in 1,2-dioleoyl- sn-glycero-3-phosphocholine (DOPC). Those sites are mapped beforehand with simultaneous atomic force microscopy and submicron confocal fluorescence imaging, allowing characterization of probe partitioning between gel DPPC and disordered liquid DOPC domains with corresponding topography of domain structure. We thus examine the relative partitioning and mobility in gel and disordered liquid phases for headgroup- and tailgroup-labeled GM1 ganglioside probes and for headgroup- and tailgroup-labeled phospholipid probes. For the GM1 probes, large differences in mobility between fluid and gel domains are observed; whereas unexpected mobility is observed in submicron gel domains for the phospholipid probes. We attribute the latter to domain heterogeneities that could be induced by the probe. Furthermore, fits to the FCS data for the phospholipid probes in the DOPC fluid phase require two components (fast and slow). Although proximity to the glass substrate may be a factor, local distortion of the probe by the fluorophore could also be important. Overall, we observe nonideal aspects of phospholipid probe mobility and partitioning that may not be restricted to supported bilayers.

Influences of Self-Assembled Structure on Mobilities of Charge Carriers in π-Conjugated Polymers

Mobilities of charge carriers in cast and spun films of poly(3-hexylthiophene)s (PHTs) with regioregularities of 97%, 81%, 70%, and 54% (denoted as PHT97%, PHT81%, PHT70%, and PHT54%, respectively) are evaluated as a function of doping level. A common feature of mobility vs doping level plots for all the PHT films is that the mobility decreases initially with the increase of the doping level and then starts to rise drastically at ca. 1% doping level. No large mobility difference is observed between cast and spun films of each PHT. In contrast, the difference in regioregularity of PHT resulted in a large mobility difference, especially in the low doping regime. At the highest doping levels of ca. 20%, the apparent mobility values reach 0.4 and 0.01 cm(2) V(-1) s(-1) for the cast films of PHT97% and PHT54%, respectively. These features of the mobility plots are discussed in connection with self-assembled structures of PHT films studied by electrochemical, in-situ ESR, in-situ UV-vis-NIR, and X-ray diffraction measurements. It is concluded first that mobilities of polarons are mainly controlled by the rate of an interchain charge hopping and second that the evolution of metallic conduction featured by the sharp mobility increase is irrelevant to the interchain stacking, or rather governed by an intrachain route.

Understanding degradation and breakdown of SiO2 gate dielectric with “negative Hubbard U” dangling bonds

Degradation and time dependent breakdown of SiO2 gate oxides are discussed based on the Anderson–Mott theory of amorphous solids with dangling bonds as diamagnetic “negative Hubbard U” centers. Negative-U dangling bonds in the oxide are either positive D+ centers or two-electron negative D− centers. Due to a large difference in mobility between electrons and holes, hopping current in SiO2 is mainly electron current on D+ centers. Degradation of isolation properties and time dependent breakdown of SiO2 gate oxide under voltage stress are due to the conversion of D− into D+ centers caused by the hole-hopping current in SiO2. The reaction of conversion is stress polarity dependent. Thermal conductivity of Si is approximately 100 times higher than thermal conductivity of SiO2. Heat dissipation and accumulation of D+ centers inside the oxide are important in understanding the time dependent breakdown of the oxide.