Electrostatic Forces Research Articles

Photophysical Properties of Sinapic Acid and Ferulic Acid and Their Binding Mechanism with Caffeine.

Sinapic acid (SA) and ferulic acid (FA) are bioactive compounds used in the food, pharmaceutical, and cosmetic industries due to their antioxidant properties. In this work, we studied the photophysical properties of SA and FA in different solvents and concentrations and their interactions with caffeine (CF), using ultraviolet-visible (UV-Vis), fluorescence spectroscopy and Fourier transform infrared (FTIR) spectroscopy. The findings show that the quantum yield, fluorescence lifetime, radiative decay rates, and non-radiative decay rates of SA and FA are influenced by the concentrations and solvent polarity. The interaction between SA and FA with CF was also studied using UV-Vis and fluorescence spectroscopy. The results indicate that the CF quenched the fluorescence intensity of SA and FA by static quenching due to the formation of a non-fluorescent complex. The van't Hoff equation suggests that the van der Waals forces and hydrogen bonds force were responsible for the interaction between SA and CF, as indicated by a negative change in enthalpy ( < 0) and a negative change in entropy ( < 0). On the other hand, the interaction between FA and CF was primarily controlled by electrostatic force, as indicated by a negative change in enthalpy ( < 0) and a positive change in entropy ( > 0). The negative change in Gibbs free energy ( ) indicates that both compounds underwent a spontaneous binding process.

New Ru(II)-p-cymene compounds bearing indomethacin and indomethacin-pyridineamide ligands: synthesis, characterization, computational studies and investigation of their interactions with the Human Serum Albumin

The research interest in ruthenium(II) organometallic compounds has continually increased due to their promising performance in biological assays targeting diverse medicinal applications. This work reports the interactions of the [Ru(II)-η6-p-cymene] framework with the indomethacin (HL1) drug and with its modified analogue indomethacin-pyridineamide (L2). Two new half-sandwich organometallics, [Ru(η6-p-cymene)(L1)Cl] (1) and [Ru(η6-p-cymene)(L2)Cl2] (2), were successfully synthesized and fully characterized by ESI-MS, NMR, ATR-FTIR and UV/VIS spectroscopy. The chemical and electronic structures were corroborated by DFT computational calculations. Compound 2 was chemically stable, keeping the L2 ligand in the coordination sphere in coordinating solvents, and was investigated for the interaction with the Human Serum Albumin (HSA) protein by fluorescence quenching studies. This compound acted as a quencher to the intrinsic protein fluorescence, mainly through binding-related quenching (static) mechanism, showing high value for the apparent association constant (Ka). The analysis of the thermodynamic parameters revealed spontaneous process, presenting low temperature dependence, with electrostatic forces playing a key role in the HSA-compound 2 adduct binding. Site competitive studies suggested that the organometallic 2 may compete for the binding site of ibuprofen (subdomain IIIA) and also for the binding site of Ru(III) naked ion (subdomain IB or IIA). Molecular docking simulations showed that both Ru(II)-arenes may interact through hydrogen bonding with arginine residues, and exhibit high affinity for the microenvironment located in subdomains IIIA and IB. These findings suggest that the HSA protein might be a potential carrier for these Ru(II)-organometallic compounds in the blood plasma.

Optimization of ultrasonic conditions for improving the characteristics of corn starch-glycyrrhiza polysaccharide composite to prepare enhanced quality lycopene inclusion complex

In this study, based on response surface optimization of ultrasound pre-treatment conditions for encapsulating lycopene, the corn starch-glycyrrhiza polysaccharide composite (US-CS-GP) was used to prepare a novel lycopene inclusion complex (US-CS-GP-Lyc). Ultrasound treatment (575 W, 25 kHz) at 35 °C for 25 min significantly enhanced the rheological and starch properties of US-CS-GP, facilitating the preparation of US-CS-GP-Lyc with an encapsulation efficiency of 76.12 ± 1.76 %. In addition, the crystalline structure, thermal properties, and microstructure of the obtained lycopene inclusion complex were significantly improved and showed excellent antioxidant activity and storage stability. The US-CS-GP-Lyc exhibited a V-type crystal structure, enhanced lycopene loading capacity, and reduced crystalline regions due to increased amorphous regions, as well as superior thermal properties, including a lower maximum thermal decomposition rate and a higher maximum decomposition temperature. Furthermore, its smooth surface with dense pores provides enhanced space and protection for lycopene loading. Moreover, the US-CS-GP-Lyc displayed the highest DPPH scavenging rate (92.20 %) and enhanced stability under light and prolonged storage. These findings indicate that ultrasonic pretreatment can boost electrostatic forces and hydrogen bonding between corn starch and glycyrrhiza polysaccharide, enhance composite properties, and improve lycopene encapsulation, which may provide a scientific basis for the application of ultrasound technology in the refined processing of starch-polysaccharides composite products.

Engineering Professors' Conceptions on the Conceptual Field of Electrostatics in Mexico

This study explores the conceptual understanding of electromagnetism among physics professors at the Aeronautical University in Querétaro, Mexico. While student misconceptions in electromagnetism have been extensively studied, research on professors' understanding and its potential impact remains limited (Pardhan &amp; Bano, 2001). This research aims to address this gap by focusing on the core concepts of electrostatic force, electric field, and electric potential. Eight professors participated in the study. Their academic background, electromagnetism course history, and teaching experience were documented. A three-tier diagnostic test, based on Vergnaud's theory of conceptual fields, was then used to assess their conceptualisation of these concepts and their interrelationships. The analysis revealed that only one professor consistently demonstrated correct understanding across all three concepts. Interestingly, this professor was also the one with the most extensive teaching experience in the subject. The results suggest a potential connection between teaching experience and a deeper conceptual understanding of electromagnetism. Further research is needed to explore this connection and its implications for mitigating student misconceptions through effective teaching practices.

Rewritable printing of ionic liquid nanofilm utilizing focused ion beam induced film wetting

Manipulating liquid flow over open solid substrate at nanoscale is important for printing, sensing, and energy devices. The predominant methods of liquid maneuvering usually involve complicated surface fabrications, while recent attempts employing external stimuli face difficulties in attaining nanoscale flow control. Here we report a largely unexplored ion beam induced film wetting (IBFW) technology for open surface nanofluidics. Local electrostatic forces, which are generated by the unique charging effect of Helium focused ion beam (HFIB), induce precursor film of ionic liquid and the disjoining pressure propels and stabilizes the nanofilm with desired patterns. The IBFW technique eliminates the complicated surface fabrication procedures to achieve nanoscale flow in a controllable and rewritable manner. By combining with electrochemical deposition, various solid materials with desired patterns can be produced.

Theoretical study on the capture of toxic gases by ionic liquids encapsulated in assembled belt[14[pyridine

In the current study, self-assembled belt[14]pyridine (BP) encapsulated IL (tetramethylammonium chloride (TMACl)) is theoretically explored to capture greenhouse gases (GHGs) at B3LYP-D3/6-311G(d,p) level of theory. The encapsulation of TMACl in assembled belt[14]pyridine is thermodynamically feasible as revealed through high interaction energy value of −50.7 kcal/mol. Moreover, the results of capturing of gas molecules (SO2, CO2, CO and CH4) show that attractive forces involved in capturing of gases are strong van der Waals forces i.e., London dispersion forces and electrostatic interactions. The synergic effect of self-assembled belts and ionic liquid results in significantly high interaction energy values ranging from −7.88 to −25.92 kcal/mol for capturing of gas molecules. Furthermore, the interaction between BP-TMACl and gas molecules is studied in detail through natural bond orbital (NBO) analysis. NBO results show the charge transfer between the fragments (BP-TMACl and gases) which is further validated through EDD analysis. The charge shifts towards all of the captured gas molecules but the most prominent change in NBO charges is shown by captured SO2. The successful charge transfer indicates better interaction in the designed systems. Additionally, the type and strength of interactions involved in the process of encapsulation is studied through quantum theory of atoms in molecules (QTAIM) and noncovalent interactions (NCI) analysis. NCI analysis clearly shows that gases are captured by BP-TMACl complex through strong van der Waals forces. However, in capturing of SO2, strong electrostatic attractive forces are also involved. The nature of attractive forces is confirmed through QTAIM analysis. Furthermore, the relation between recovery time and desorption energy of captured gas molecules has been studied. The strongest absorption for SO2 results in prolonged recovery time for it (as compared to the other gas molecules). AIMD analysis is performed to find the dynamical stability of assembled-belts before and after loading ionic liquids along with gases to be captured. These results reveal that assembled-belts are suitable for encapsulation of ionic liquids along with capturing of gases. Overall, the best results are shown for SO2 capture. The study intends to deliver valuable information on the important progress in the environmental-remediation field and we hope our work is going to inspire more investigators to provide novel research on such challenging tasks.

Structural, electrostatic force microscopy, work function, and optical characterization of pure and Al-doped ZnO nanoparticles

The electrical and optical characteristics of pure and Al-doped zinc oxide (ZnO) nanoparticles were analyzed. The work function of these nanoparticles was investigated using Kelvin Probe Force Microscopy (KPFM). The work function of the Al-doped ZnO nanoparticles was found to be lower than that of undoped ZnO nanoparticles. Electrostatic Force Microscopy (EFM) was employed to map the distribution of charges and conductivity in both ZnO and Al -doped ZnO, revealing enhanced charge trapping and increased conductivity in the Al-doped ZnO nanoparticles compared to the undoped ones. XRD analysis verified that both pure ZnO and Al-doped ZnO nanoparticles exhibited a hexagonal wurtzite crystal structure. Additionally, Raman spectroscopy revealed new vibrational modes at 572 cm−1, which were attributed to E1 (LO) in Al-doped ZnO. UV–visible spectroscopy indicated that the band gap of Al -doped ZnO nanoparticles is wider than that of pure ZnO nanoparticles, Additionally, photoluminescence spectroscopy demonstrated a blue shift in the emission spectrum of the Al-doped ZnO nanoparticles, accompanied by a reduction in green emission defects.

SARS-CoV-2 Omicron Subvariants Do Not Differ Much in Binding Affinity to Human ACE2: A Molecular Dynamics Study.

The emergence of the variant of concern Omicron (B.1.1.529) of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) exacerbates the COVID-19 pandemic due to its high contagious ability. Studies have shown that the Omicron binds human ACE2 more strongly than the wild type. The prevalence of Omicron in new cases of COVID-19 promotes novel lineages with improved receptor binding affinity and immune evasion. To shed light on this open problem, in this work, we investigated the binding free energy of the receptor binding domain of the Omicron lineages BA.2, BA.2.3.20, BA.3, BA4/BA5, BA.2.75, BA.2.75.2, BA.4.6, XBB.1, XBB.1.5, BJ.1, BN.1, BQ.1.1, and CH.1.1 to human ACE2 using all-atom molecular dynamics simulation and the molecular mechanics Poisson-Boltzmann surface area method. The results show that these lineages have increased binding affinity compared to the BA.1 lineage, and BA.2.75 and BA.2.75.2 subvariants bind ACE2 more strongly than others. However, in general, the binding affinities of the Omicron lineages do not differ significantly from each other. The electrostatic force dominates over the van der Waals force in the interaction between Omicron lineages and human cells. Based on our results, we argue that viral evolution does not further improve the affinity of SARS-CoV-2 for ACE2 but may increase immune evasion.

Taste Mechanism of Umami Molecules from Fermented Broad Bean Paste Based on In Silico Analysis and Peptidomics.

In this study, in silico analysis and peptidomics were performed to examine the generation mechanism of the umami taste of fermented broad bean paste (FBBP). Based on the information from peptidomics, a total of 470 free peptides were identified from FBBP, most of which were increased after fermentation. Additionally, the increase of the content of umami peptides, organic acids, and amino acids during fermentation contributed to the perception of umami taste in FBBP. Molecule docking results inferred that these umami molecules were easy to connect with Ser, Glu, His, and Gln in the T1R3 subunit through hydrogen bonds and electrostatic interaction force. The binding sites His145, Gln389, and Glu301 particularly contributed to the formation of the ligand-receptor complexes. The aromatic interaction, hydrogen bond, hydrophilicity, and solvent-accessible surface (SAS) played key roles in the receptor-peptide interaction. Sensory evaluation and electronic tongue results showed that EDEDE, DLSESV, SNGDDE, DETL, CDLSD, and TDEE screened from FBBP had umami characteristics and umami-enhancing effects (umami threshold values ranging from 0.131 to 0.394 mmol/L). This work provides new insight into the rapid and efficient screening of novel umami peptides and a deeper understanding of the taste mechanisms of umami molecules from FBBP.

Co-assembly of quinoa protein isolate and shellac as nano-vehicles for naringenin: Characterization, formation mechanism, release behavior and cellular uptake

Naringenin (Nar) is a natural flavonoid with diverse health-promoting benefits. However, the bioavailability of Nar is significantly restricted due to its poor water-solubility, instability under physiological conditions, and limited absorption profile. In this study, a shellac-quinoa protein isolate (QPI) binary nanocomplex (SQP) was fabricated using the pH-shifting method for effectively delivering Nar. Isothermal titration calorimetry (ITC) and analysis of inner interactive forces revealed that the complexation between QPI and shellac was primarily driven by electrostatic and hydrophobic forces. Subsequently, Nar was successfully encapsulated within the stable and uniform SQP nanocomplex (Nar@SQP), achieving a high encapsulation capacity (94.52 % encapsulation efficiency and 14.68 % loading capacity). Meanwhile, the Nar@SQP nanoparticle exhibited excellent stability against pH, ionic strength, and long-term storage. Moreover, it also demonstrated sustained and slow-release characteristics during simulated gastrointestinal digestion. Compared to free Nar, the safe Nar@SQP nanoparticle effectively facilitated the cellular uptake of encapsulated Nar by Caco-2 cells, suggesting that Nar@SQP has a good potential to improve the bioavailability of Nar. Hence, these findings indicated that the developed Nar@SQP nanoparticle might hold significant promise as a nano-delivery system for hydrophobic bioactive nutrients, like Nar.

Multifunctionalized Supramolecular Cyclodextrin Additives Boosting the Durability of Aqueous Zinc-Ion Batteries.

The poor cycling stability of aqueous zinc-ion batteries hinders their application in large-scale energy storage due to uncontrollable dendrite growth and harmful hydrogen evolution reactions. Here, we designed and synthesized an electrolyte additive, N-methylimidazolium-β-cyclodextrin p-toluenesulfonate (NMI-CDOTS). The cations of NMI-CD+ are more easily adsorbed on the abrupt Zn surface to regulate the deposition of Zn2+ and reduce dendrite generation under the combined action of the unique cavity structure with abundant hydroxyl groups and the electrostatic force. Meanwhile, p-toluenesulfonate (OTS-) is able to change the Zn2+ solvation structure and suppress the hydrogen evolution reaction by the strong interaction of Zn2+ and OTS-. Benefiting from the synergistic role of NMI-CD+ and OTS-, the Zn||Zn symmetric cell exhibits superior cycling performance as high as 3800 h under 1 mA cm-2 and 1 mA h cm-2. The Zn||V2O5 full battery also shows a high specific capacity (198.3 mA h g-1) under 2.0 A g-1 even after 1500 cycles, and its Coulomb efficiency is nearly 100% during the charging and discharging procedure. These multifunctional composite strategies open up possibilities for the commercial application of aqueous zinc-ion batteries.

Spiral Structured Cellulose Acetate Membrane Fabricated by One-Step Electrospinning Technique with High Water Permeation Flux

A functionally graded membrane (FGM) with a special spiral-structured cellulose acetate (CA) membrane was prepared by electrospinning under different collection distances. The membrane morphology was analyzed by scanning electron microscopy (SEM). FESEM images revealed that the high concentration shows the formation of fibers with an irregular diameter, with a large diameter distribution range. The fiber collected at a short distance of 10 cm experiences the strong electrostatic force, resulting in the short flight time for the polymer jet. This causes the bending instability of the polymer jet forming the comparatively thick fiber diameters, whereas the fiber collected at 15 cm shows the presence of a smooth, homogeneous diameter. Furthermore, the water flux of the membrane was determined using 50 mL of Amicon stirred cells. The fiber collected at different distances showed diameter variation, which is used to design a special spiral structure on the membrane by auto-moving the collector between the fixed distances of 10–20 cm. This technique will reveal a new approach for the fabrication of a special spiral structure on the nanofibrous membrane for different biomedical applications from different polymers. Meanwhile, the fabricated FGM with a special spiral-structure CA membrane demonstrates high water permeation flux.

Effects of charge and size on the coadsorption of counterionic colloids in Gibbs monolayers

This study uses a coarse-grained Monte Carlo algorithm to model and simulate the coadsorption of a binary mixture of counterionic colloids in Gibbs monolayers. These monolayers form at a idealized air-water interface, with one non-soluble species confined at the interface and the second one partially soluble in the aqueous phase. The investigation focuses on the effect of colloidal size and charge on the thermodynamics and microstructure of the monolayer. We find that the composition of the monolayer evolves non-trivially with surface coverage, depending on the balance of steric and electrostatic forces. When the electrostatic interactions are weak, the soluble species is expelled from the monolayer upon compression, yielding a phase behaviour particularly sensitive to the relative size of the soluble and non-soluble colloids. By contrast, strong electrostatic interactions favour the stabilization of the soluble particles in the monolayer and the formation of quasi-equimolar fluids, with only a weak dependence on particle size. The combination of these phenomena results in the formation of a number of two-dimensional mesoscopic arrangements in the monolayer, ranging from diluted gas-phase behaviour to domains of aggregates and percolates, and to incipient crystalline structures.

Bile-induced biofilm formation in Bacteroides thetaiotaomicron requires magnesium efflux by an RND pump.

Bacteroides thetaiotaomicron is a prominent member of the human gut microbiota contributing to nutrient exchange, gut function, and maturation of the host's immune system. This obligate anaerobe symbiont can adopt a biofilm lifestyle, and it was recently shown that B. thetaiotaomicron biofilm formation is promoted by the presence of bile. This process also requires a B. thetaiotaomicron extracellular DNase, which is not, however, regulated by bile. Here, we showed that bile induces the expression of several Resistance-Nodulation-Division (RND) efflux pumps and that inhibiting their activity with a global competitive efflux inhibitor impaired bile-dependent biofilm formation. We then showed that, among the bile-induced RND-efflux pumps, only the tripartite BT3337-BT3338-BT3339 pump, re-named BipABC [for Bile Induced Pump A (BT3337), B (BT3338), and C (BT3339)], is required for biofilm formation. We demonstrated that BipABC is involved in the efflux of magnesium to the biofilm extracellular matrix, which leads to a decrease of extracellular DNA concentration. The release of magnesium in the biofilm matrix also impacts biofilm structure, potentially by modifying the electrostatic repulsion forces within the matrix, reducing interbacterial distance and allowing bacteria to interact more closely and form denser biofilms. Our study therefore, identified a new molecular determinant of B. thetaiotaomicron biofilm formation in response to bile salts and provides a better understanding on how an intestinal chemical cue regulates biofilm formation in a major gut symbiont.IMPORTANCEBacteroides thetaiotaomicron is a prominent member of the human gut microbiota able to degrade dietary and host polysaccharides, altogether contributing to nutrient exchange, gut function, and maturation of the host's immune system. This obligate anaerobe symbiont can adopt a biofilm community lifestyle, providing protection against environmental factors that might, in turn, protect the host from dysbiosis and dysbiosis-related diseases. It was recently shown that B. thetaiotaomicron exposure to intestinal bile promotes biofilm formation. Here, we reveal that a specific B. thetaiotaomicron membrane efflux pump is induced in response to bile, leading to the release of magnesium ions, potentially reducing electrostatic repulsion forces between components of the biofilm matrix. This leads to a reduction of interbacterial distance and strengthens the biofilm structure. Our study, therefore, provides a better understanding of how bile promotes biofilm formation in a major gut symbiont, potentially promoting microbiota resilience to stress and dysbiosis events.

Dispersion Control over Molecule Cohesion: Exploiting and Dissecting the Tipping Power of Aromatic Rings.

ConspectusWe have learned over the past years how London dispersion forces can be effectively used to influence or even qualitatively tip the structure of aggregates and the conformation of single molecules. This happens despite the fact that single dispersion contacts are much weaker than competing polar forces. It is a classical case of strength by numbers, with the importance of London dispersion forces scaling with the system size. Knowledge about the tipping points, however difficult to attain, is necessary for a rational design of intermolecular forces. One requires a careful assessment of the competing interactions, either by sensitive spectroscopic techniques for the study of the isolated molecules and aggregates or by theoretical approaches. Of particular interest are the systems close to the tipping point, when dispersion interactions barely outweigh or approach the strength of the other interactions. Such subtle cases are important milestones for a scale-up to realistic multi-interaction situations encountered in the fields of life and materials science. In searching for examples that provide ideal competing interactions in complexes and small clusters, aromatic systems can offer a diverse set of molecules with a variation of dispersion and electrostatic forces that control the dominant and peripheral interactions. Our combined spectroscopic and theoretical investigations provide valuable insights into the balance of intermolecular forces because they typically allow us to switch the aromatic substituent on and off. High-resolution rotational spectroscopy serves as a benchmark for molecular structures, as correct calculations should be based on correct geometries. When discussing the competition with other noncovalent interactions, obvious competitors are directional hydrogen bonds. As a second counterweight to aryl interactions, we will discuss aurophilic/metallophilic interactions, which also have a strong stabilization with a small number of atoms involved. Vibrational spectroscopy is most sensitive to interactions of light atoms, and the competition of OH hydrogen bonds with dispersion forces in a molecular aggregate can be judged well by the OH stretching frequency. Experiments in the gas phase are ideal for gauging the accuracy of quantum chemical predictions free of solvent forces. A tight collaboration utilizing these three methods allows experiment vs experiment vs theory benchmarking of the overall influence of dispersion in molecular structures and energetics.

Anion–Induced Amyloid Fibrillation of Human Insulin In vitro

AbstractIn the present study, we have focused on the effect of three biologically important salt anions on insulin aggregation. The result of the present study reveals that salts differing in their anions (NaI, NaOAc, and NaNO3) induce the self–assembly formation of insulin even at low physiological (in the micromolar range) salt concentration with efficacy that follows the order I−&gt;CH3COO−&gt;NO3−. Here, the anion–driven aggregation of insulin does not follow either the Hofmeister series or electroselectivity series at very low salt concentrations; instead, the binding of anions at low pH to the positively charged residues of insulin is determined by a mechanism where the salt anions promote the fibrillation of insulin and modify the morphology of the monomeric precursor molecule. Both the nucleation and fibril elongation are controlled by the electrostatic forces and hydrophobic interactions. Aggregation mechanism and aggregate morphology were investigated employing a combination of Thioflavin T (ThT) and ANS fluorescence, circular dichroism (CD), dynamic light scattering (DLS), and transmission electron microscopy (TEM). Overall, the present data will enhance the idea to rationalize the anion effects on the aggregation of amyloid‐prone protein and to understand the influence of charged biomolecules in cellular compartments.

Effects of surface property on loading octaaza bis-α-diimine Ni complex, charge separation, and H2 production activity of MnS@ZnS photocatalysts

The MnS@ZnS photocatalyst was prepared using a microwave-assisted solvothermal method. Then, the octaaza bis-α-diimine Ni complex was loaded to prepare a composite photocatalyst. The adsorption of metal complex on photocatalyst depends on the anchoring groups of the Ni complex and the colloidal surface charge of the photocatalyst. The effects of the zeta potential of MnS and MnS@ZnS photocatalysts on the loading of Ni complex, separation of photogenerated carriers, and activity of Ni complex-modified composite photocatalysts were studied. The loading of NiC complex in photocatalysts was analyzed by Raman spectra, TEM line scan, mapping images, and total reflection x-ray fluorescence spectrometer. MnS@ZnS photocatalyst exhibits negative zeta potential that provides a strong electrostatic attraction force between photocatalysts and the Ni complex (Columb attraction), leading to increased Ni complex loading. MnS@ZnS/Ni complex exhibits better photocatalytic activity than MnS/Ni complex. Loading the Ni complex facilitates the photosensitization of photocatalysts, resulting in improved light absorbance. Besides, the electron-hole separation was further improved because the Ni complex acted as a redox mediator, enabling the transfer of electrons from MnS@ZnS to the Ni complex. The H2 production activity of MnS@ZnS/Ni complex photocatalyst reaches 3997 μmol h−1g−1, which is 1.72 times the pristine MnS.

Nanoscale visualization of fast carrier dynamics in organic thin-film transistors by time-resolved electrostatic force microscopy

Fast carrier dynamics in organic thin-film transistors (OTFTs) was investigated by time-resolved electrostatic force microscopy (tr-EFM). We found that the carrier diffusion in the OTFTs proceeded in two stages: fast diffusion and slow diffusion. By applying the instantaneous frequency method to EFM, the temporal evolution of the spatial distribution of fast carriers in the channel region of the OTFTs, which took place on the timescale of several hundreds of nanoseconds, was evaluated. The inhomogeneous distribution of the local decay time constant showed that the carrier diffusion of the OTFTs was limited by the grain boundaries between each crystalline region. The quantitative capability of the method was verified by comparing the values of the carrier mobility estimated by the tr-EFM measurement and a numerical simulation. The mobility estimated from the experiment and the simulation showed good agreement, showing the possibility of the tr-EFM to evaluate the time evolution of dynamic phenomena in semiconductor devices.

Low temperature sputtering deposition of Al1−xScxN thin films: Physical, chemical, and piezoelectric properties evolution by tuning the nitrogen flux in (Ar + N2) reactive atmosphere

This work investigates the physical properties of Al1−xScxN thin films sputtered at low temperatures by varying the process conditions. Specifically, the films were deposited at room temperature by applying a radio frequency power equal to 150 W to an AlSc alloy (60:40) target, varying the nitrogen flux percentage in the (Ar + N2) sputtering atmosphere (30%, 40%, 50%, and 60%) and keeping constant the working pressure at 5 × 10−3 mbar. The structural and chemical properties of the Al1−xScxN films were studied by x-ray diffraction and Rutherford backscattering spectrometry techniques, respectively. The piezoelectric response was investigated by piezoresponse force microscopy. In addition, the surface potential was evaluated for the first time for Sc-doped AlN thin films by Kelvin probe force microscopy, providing piezoelectric coefficients free from the no-piezoelectric additional effect to the mechanical deformation, i.e., the electrostatic force. By alloying AlN with scandium, the piezoelectric response was strongly enhanced (up to 200% compared to undoped AlN), despite the low deposition temperature and the absence of any other additional energy source supplied to the adatoms during thin film growth, which generally promotes a better structural arrangement of polycrystalline film. This is a strategic result in the field of microelectromechanical systems completely fabricated at low temperatures.

A behavioral nonlinear modeling implementation for MEMS capacitive microphones

We are highlighting the behavioral nonlinear system-level modeling approach for MEMS capacitive microphones. The combination of finite element modeling and large signal nonlinear circuit modeling provides a strong capability to predict electroacoustical performance for capacitive transductions. Circuit simulation tools such as Cadence Virtuoso have emerged as powerful aids in designing behavioral models in both linear and nonlinear regimes. Typical small signal lumped element models fail to capture the MEMS behavior which changes over pressure and electrical bias conditions. The models described herein capture diaphragm displacement and capacitance change over large pressure ranges for a simply supported circular plate. This can be coupled with the electrostatic force, due to the applied bias voltage, and converted back to pressure, thereby realizing a feedback loop in the circuit model. The nonlinear model capability is extended to predict capacitance-bias behavior and estimate pull-in of the MEMS device. The microphone sensitivity, signal-to-noise ratio, and harmonic distortions are accurately predicted using the nonlinear large signal model when compared to measured microphone data.