Defect passivation through electrostatic interaction for high performance flexible perovskite solar cells

The light weight,good bending resistance and low production cost make flexible perovskite solar cells(PSCs)good candidates in wearable electronics,portable charger,remote power,and flying objects.High power conversion efficiency(PCE)plays a crucial role on obtaining the high mass specific power of flexible devices.However,the performance for flexible PSCs is still having a large room to be improved.Here,we added the 2-amino-5-cyanopyridine(ACP)molecule with a polar electron density distribution in the perovskite precursor solution to improve the performance of flexible PSCs.The cyano groups with electron-withdrawing ability are expected to passivate positively charged point defects,while amines with electron donating ability are expected to passivate negatively charged point defects in perovskite films.Thanks to the effective passivation of defects at the grain boundary and surface of perovskite films,the PCE of flexible PSCs is obviously increased from 16.9%to 18.0%.These results provide a universal approach to improve performance of flexible PSCs by healing the defects in perovskite films through electrostatic interactions.

Electrostatic Interaction Tailored Anion-Rich Solvation Sheath Stabilizing High-Voltage Lithium Metal Batteries

Through tailoring interfacial chemistry,electrolyte engineering is a facile yet effective strategy for highperformance lithium(Li)metal batteries,where the solvation structure is critical for interfacial chemistry.Herein,the effect of electrostatic interaction on regulating an anion-rich solvation is firstly proposed.The moderate electrostatic interaction between anion and solvent promotes anion to enter the solvation sheath,inducing stable solid electrolyte interphase with fast Li+transport kinetics on the anode.This asdesigned electrolyte exhibits excellent compatibility with Li metal anode(a Li deposition/stripping Coulombic efficiency of 99.3%)and high-voltage LiCoO_(2) cathode.Consequently,the 50μm-thin Li||high-loading LiCoO_(2) cells achieve significantly improved cycling performance under stringent conditions of high voltage over 4.5 V,lean electrolyte,and wide temperature range(-20 to 60℃).This work inspires a groundbreaking strategy to manipulate the solvation structure through regulating the interactions of solvent and anion for highperformance Li metal batteries.

Nerve conduction models in myelinated and unmyelinated nerves based on three-dimensional electrostatic interaction

Until now, nerve conduction has been described on the basis of equivalent circuit model and cable theory, both of which supposed closed electric circuits spreading inside and outside the axoplasm. With these conventional models, we can simulate the propagating pattern of action potential along the axonal membrane based on Ohm＇s law and Kirchhoff＇s law. However, we could not fully explain the different conductive patterns in unmyelinated and myelinated nerves with these theories. Also, whether we can really suppose closed electrical circuits in the actual site of the nerves or not has not been fully discussed yet. In this report, a recently introduced new theoretical model of nerve conduction based on electrostatic molecular interactions within the axoplasm will be reviewed. With this new approach, we can explain the different conductive patterns in unmyelinated and myelinated nerves. This new mathematical conductive model based on electrostatic compressional wave in the intracellular fluid may also be able to explain the signal integration in the neuronal cell body and the back-propagation mechanism from the axons to the dendrites. With this new mathematical nerve conduction model based on electrostatic molecular interactions within the intracellular fluid, we may be able to achieve an integrated explanation for the physiological phenomena taking place in the nervous system.

Electrostatic interaction of a spherical particle in the vicinity of a circular orifice

The electrostatic interaction of a charged spherical particle in the vicinity of an orifice plane has been investigated in this paper. The particle can creep along the axis of the orifice and is immersed in a bulk electrolyte. By solving the Poisson-Boltzmann problem, we have obtained the effective electrostatic interaction for several values of reduced orifice radius h, including the cases of h ~ 1, h = i and h 〈 1. Two kinds of boundary conditions of the orifice plane are considered. One is the constant potential model corresponding to a conducting plane, the other is the constant charge model. In the constant potential model, there is an electrostatic attraction between the particle and the orifice plane when they get close to each other, while there is a pure electrostatic repulsion in the constant charge model. The interactions in both boundary models are sensitive to the parameters of the reduced orifice radius, the reduced particle-rifice distance, surface charge densities of the particle and orifice plane, and the reduced Debye screen constant corresponding to the salt-ion concentration and ion valence.

ELECTROSTATIC INTERACTION HYBRIDS FROM WATER-BORNE CONDUCTIVE POLYANILINE AND INORGANIC PRECURSOR CONTAINING CARBOXYL GROUP

Electrostatic interaction conductive hybrids were prepared in water/ethanol solution by the sol-gel process from inorganic sol containing carboxyl group and water-borne conductive polyaniline （cPANI）. The electrostatic interaction hybrids film displayed 1-2 orders of magnitude higher electrical conductivity in comparison with common hybrids film, showing remarkable conductivity stability against water soaking. Most strikingly, it displayed ideal electrochemical activity even in a solution with pH = 14, which enlarged the conducting polyaniline application window to strong alkaline media.

Electrostatic interaction between a rod-like macromolecule and a circular orifice/disk in an electrolyte solution

We present the solutions of the interaction energy for a colloid system with a charged rod-like macromolecule immersed in a bulk electrolyte and moving along the axis of a circular orifice or disk （orifice/disk）. The calculation requires a numerical computation of the surface charge profiles, which result from a constant surface potential on the macromolecule and the orifice/disk. In the calculation, remarkable divergences of the surface charge emerge on the edges of the macromolecule and the orifice/disk, which are well-known edge effects. The anisotropic distribution of the surface charge （effective dipole） results in an attraction between these two charged objects. This attraction is enhanced with the increase of the screening length of the system for both the orifice and the disk systems. However, the sizes of the orifice and the disk reduce to different effects on the interaction energy.

Minimizing electrostatic interactions from piezoresponse force microscopy via capacitive excitation

Piezoresponse force microscopy(PFM)has emerged as one of the most powerful techniques to probe ferroelectric materials at the nanoscale,yet it has been increasingly recognized that piezoresponse measured by PFM is often influenced by electrostatic interactions.In this letter,we report a capacitive excitation PFM(ce-PFM)to minimize the electrostatic interactions.The effectiveness of ce-PFM in minimizing electrostatic interactions is demonstrated by comparing the piezoresponse and the effective piezoelectric coefficient measured by ce-PFM and conventional PFM.The effectiveness is further confirmed through the ferroelectric domain pattern imaged via ce-PFM and conventional PFM in vertical modes,with the corresponding domain contrast obtained by ce-PFM is sharper than conventional PFM.These results demonstrate ce-PFM as an effective tool to minimize the interference from electrostatic interactions and to image ferroelectric domain pattern,and it can be easily implemented in conventional atomic force microscope(AFM)setup to probe true piezoelectricity at the nanoscale.

Resolution enhancement in hydrophobic interaction chromatography via electrostatic interactions

In this work,a new type of hydrophobic stationary phase that provide electrostatic interactions with analytes was developed by bondingβ-phenylethylamine as a functional ligand to silica.This stationary phase can separate proteins with similar hydrophobicity that traditional hydrophobic resins cannot.Hen egg white was separated to examine the selectivity.The results show that the introduced electrostatic interactions are an important factor for the resolution enhancement and the new resin could have important applications in separation and purification of biological macromolecules.

An approach to prepare uniform graphene oxide/aluminum composite powders by simple electrostatic interaction in water/alcohol solution

The homogenous dispersion of graphene in Al powders is a key challenge that limits the development of graphene-reinforced metal matrix composites with high performance.Here,uniform distribution of graphene oxide(GO)coated on flake Al powders were obtained by a simply stirring and ultrasonic treatment in the water/alcohol solution.The effect of water volume content on the formation of GO/Al composite powders was investigated.The results showed that GO adsorbed with synchronous reduction on the surface of Al powders,but when the water content was higher than 80%in the solution,Al powders were totally changed into Al(OH)3.With optimizing the water content of 60%in the solution,reduced GO was homogenously coated onto the surface of flake Al powders.The formation mechanism can be ascribed to the balance control between the liquid/solid interaction and the hydrolysis reaction.

Hybrid Hydrogels Toughened by Chemical Covalent Bonding and Physical Electrostatic Interactions

Polystyrene nanoparticles with negative charges（n-PSs） were synthesized using styrene（St） and sodium styrene sulfonate（NaSS） as initial materials by surfactant-free emulsion polymerization. Subsequently, a hybrid hydrogel was prepared using acrylamide（AAm） and methacryloyloxyethyltrimethyl ammonium chloride（DMC） as co-monomers with N,N＇-methylenebisacrylmnide（MBA） as a chemical crosslinker and n-PSs as a physical electrostatic interaction agent. The resulting hybrid hydrogels exhibited excellent tensile strength and elongation at break. The tensile stress of hybrid hydrogels was seven times greater than that ofhydrogels without n-PSs. The elongation at break of hydrogels reached 700%, which was much higher compared to those of the hydrogels without n-PSs. Furthermore, swelling measurements of the hydrogels indicate that there is an overshoot in the swelling process and the extent of overshoot decreases with the increasing n-PSs. Therefore, the work presented here provides a method for improving the mechanical properties of hydrogels via the introduction of polymeric nanoparticles.

Temperature-responsive Behavior of Polymer Fluorescent System via Electrostatic Interaction Mediated Aggregation/Deaggregation

A simple and effective polymer fluorescent thermosensitive system was successfully developed based on the synergistic effect of excimer/monomer interconversion of pyrene derivatives and electrostatic interaction between polyelectrolyte and charged fluorophore. As for the system, the excimer-monomer conversion, thermosensitive behavior and thermo-responsive reversibility were investigated experimentally. Temperature variation and temperature-distribution induced fluorescence changes can be observed directly by naked eyes. Thus, this polymer system holds promise for serving as a fluorescent thermometer.

Nanofriction characteristics of h-BN with electric field induced electrostatic interaction

The nanofriction properties of hexagonal boron nitride(h-BN)are vital for its application as a substrate for graphene devices and solid lubricants in micro-and nano-electromechanical devices.In this work,the nanofriction characteristics of h-BN on Si/SiO_(2) substrates with a bias voltage are explored using a conductive atomic force microscopy(AFM)tip sliding on the h-BN surface under different substrate bias voltages.The results show that the nanofriction on h-BN increases with an increase in the applied bias difference(V_(t–s))between the conductive tip and the substrate.The nanofriction under negative V_(t–s) is larger than that under positive V_(t–s).The variation in nanofriction is relevant to the electrostatic interaction caused by the charging effect.The electrostatic force between opposite charges localized on the conductive tip and at the SiO2/Si interface increases with an increase in V_(t–s).Owing to the characteristics of p-type silicon,a positive V_(t–s) will first cause depletion of majority carriers,which results in a difference of nanofriction under positive and negative V_(t–s).Our findings provide an approach for manipulating the nanofriction of 2D insulating material surfaces through an applied electric field,and are helpful for designing a substrate for graphene devices.

Effect of ionic strength and mixing ratio on complex coacervation of soy protein isolate/Flammulina velutipes polysaccharide

Soy protein isolate(SPI)is a commercial protein with balanced amino acids,while the poor solubility impedes its use in traditional foods.To overcome the problem,the complex coacervation of SPI/Flammulina velutipes polysaccharide(FVP)were investigated.Initial results revealed that the suitable amounts of FVP contributed to reducing the turbidity of SPI solution.Under electrostatic interaction,the formation of SPI/FVP coacervates were spontaneous and went through a nucleation and growth process.Low salt concentration(C_(NaCl)=10,50 mmol/L)led to an increase in the critical pH values(pHc,pHφ1)while the critical pH values decreased when C_(NaCl)≥100 mmol/L.The concentration of NaCl ions increased the content ofα-helix.With the increase of FVP,the critical pH values decreased and the content ofβ-sheet increased through electrostatic interaction.At SPI/FVP ratio of 10:1 and 15:1,the complex coacervation of SPI/FVP were saturated,and the coacervates had the same storage modulus value.SPI/FVP coacervates exhibited solid-like properties and presented the strongest storage modulus at C_(NaCl)=50 mmol/L.The optimal pH,SPI/FVP ratio and NaCl concentration of complex coacervation were collected,and the coacervates demonstrated a valuable application potential to protect and deliver bioactives and food ingredients.

Fabrication of graphene oxide-keratin-chitosan nanocomposite as an adsorbent to remove turbidity from tannery wastewater

Excessive turbidity in water is aesthetically unappealing and severely malfunctions the photosynthesis process of aquatic ecosystems. This study aimed to evaluate the effectiveness of a nanocomposite adsorbent made of graphene oxide-keratin-chitosan for removing turbidity from tannery influent. The nanocomposite was fabricated with simple solution casting methods. Material dispersibility, bonding between composite materials (amide linkage), and the surface morphology of the nanocomposite were analyzed with the ultraviolet-visible spectroscopy, Fourier transform infrared spectroscopy, X-ray diffraction, transmission electron microscopy, and scanning electron microscopy. At pH of 6, 2 g/L of adsorbent and a 25-min contact time resulted in about 88% of turbidity elimination. After the adsorption process, the total suspended solids, total dissolved solids, salinity, biochemical oxygen demand, and chemical oxygen demand of the tannery wastewater were reduced by 55%, 29%, 12%, 58%, and 75%, respectively. The optimum dosage of the nanocomposite with the maximum turbidity removal capacity was 12.62 mg/g. According the adsorption kinetic and isotherm models, the graphene oxide-keratin-chitosan nanocomposite played a key role in the turbidity removal process with chemisorption and electrostatic multilayer adsorption. This study provided methodological and mechanistic insights into the procedures of investigating the removal of turbidity from tannery wastewater with a novel composite material.

Effect of carboxymethyl konjac glucomannan coating on curcumin-loaded multilayered emulsion:stability evaluation

The stability against various environmental stresses of the curcumin-loaded secondary and tertiary emulsions that was emulsified by whey protein isolate(WPI)and coated by chitosan(CHI),carboxymethyl konjac glucomannan(CMKGM),or their combination through layer-by-layer assembly was investigated.Generally,the multilayered emulsions were destabilized in high Na Cl concentrations or medium p H that could interrupt the electrostatic interaction between the three polyelectrolytes or deprotonate CHI,indicating that electrostatic interaction played an important role in the stability of emulsions.Compared with the primary emulsion that was solely stabilized by WPI,extra coating with CHI and CMKGM generally increased the stability of the emulsion against repeated freezing-thawing,improved the retention of curcumin against heating,UV irradiation,and long-term storage,and the effects were more remarkable in the tertiary emulsion with CMKGM locating in the outmost layer.Since CMKGM has shown the colon-targeted delivery potency,the multilayered emulsions assembled by layer-by-layer deposition,especially the tertiary emulsion,could be used as an effective carrier for the targeted delivery of curcumin.

A novel aminated polymeric adsorbent for removing refractory dissolved organic matter from landfill leachate treatment plant

Refractory dissolved organic matter （DOM） from landfill leachate treatment plant was with high dissolved organic carbon （DOC） content. An aminated polymeric adsorbent NDA-8 with tertiary amino groups and sufficient mesopore was synthesized, which exhibited high adsorption capacity to the DOM （raw water after coagulation）. Resin NDA-8 performed better in the uptake of the DOM than resin DAX-8 and A100. Electrostatic attraction was considered as the decisive interaction between the adsorbent and adsorbate. Special attention was paid to the correlation between porous structure and adsorption capacity. The mesopore of NDA-8 played a crucial role during uptake of the DOM. In general, resin in chloride form performed a higher removal rate of DOC. According to the colunm adsorption test, total adsorption capacity of NDA-8 was calculated to 52.28 mg DOC/mL wet resin. 0.2 mol/L sodium hydroxide solution could regenerate the adsorbent efficiently.

Bifunctional LiI additive for poly(ethylene oxide)electrolyte with high ionic conductivity and stable interfacial chemistry

The development of polymer-based solid-state batteries is severely limited by the low ionic conductivity of solid polymer electrolyte and the instable interface between polymer electrolyte and Li-metal anode.In this work,lithium iodide(LiI)as a bifunctional additive was introduced into the poly(ethylene oxide)(PEO)-based electrolyte to improve the ionic conductivity and to construct a stable interphase at the Li/PEO interface.I-anions offer a strong electrostatic interaction with hydrogen atoms on PEO chains(HPEO)and forming massive I–H bonds that cross-link PEO chains,decrease crystallinity of PEO,and thus improve Li~+interchain transport.In addition,LiI participates in the formation of an inorganic-rich interphase layer,which decreases the energy barrier of Li+transport across the interface and thus inhibits the growth of lithium dendrites.As a result,the composite PEO electrolyte with 2 wt%LiI(PEO-2 LiI)presents a very high ionic conductivity of 2.1×10^(-4) S cm-1 and a critical current density of 2.0 m A cm^(-2) at 45°C.Li symmetric cell with this PEO-2 LiI electrolyte exhibits a long-term cyclability over 600 h at 0.2 m A cm^(-2).Furthermore,solid-state LiFePO_(4) and LiNi_(0.8)Mn_(0.1)Co_(0.1)O_(2) batteries with the PEO-2 LiI electrolyte show an impressive electrochemical performance with outstanding cycling stability and rate capability at 45°C.

Adsorption Mechanisms of Mesoporous Adsorbents in Solutions

Sieve effect, complexation, ionic exchange, electrostatic interaction, hydrogen bonding, hydrophobic interaction, and molecular recognition based on molecular imprinting are comprehensively discussed.

Molecular simulations of charged complex fluids: A review

Molecular simulation plays an increasingly important role in studying the properties of complex fluid systems containing charges,such as ions,piezoelectric materials,ionic liquids,ionic surfactants,polyelectrolytes,zwitterionic materials,nucleic acids,proteins,biomembranes and etc.,where the electrostatic interactions are of special significance.Several methods have been available for treating the electrostatic interactions in explicit and implicit solvent models.Accurate and efficient treatment of such interactions has therefore always been one of the most challenging issues in classical molecular dynamics simulations due to their inhomogeneity and long-range characteristics.Currently,two major challenges remain in the application field of electrostatic interactions in molecular simulations;(i)improving the representation of electrostatic interactions while reducing the computational costs in molecular simulations;(ii)revealing the role of electrostatic interactions in regulating the specific properties of complex fluids.In this review,the calculation methods of electrostatic interactions,including basic principles,applicable conditions,advantages and disadvantages are summarized and compared.Subsequently,the specific role of electrostatic interactions in governing the properties and behaviors of different complex fluids is emphasized and explained.Finally,challenges and perspective on the computational study of charged systems are given.

Polar Phase Formation and Piezoelectricity of PVDF by Hot-pressing under Electrostatic Intermolecular Interactions

Piezoelectric poly(vinylidene fluoride)(PVDF)has received considerable attention due to its ability of interconverting mechanical into electric energies and potential applications in wearable electronics.To achieve piezoelectricity,it is important to simultaneously control the formation of polar phases,crystallinity,and dipole alignments in PVDF-based films.Here we demonstrate that piezoelectricity can be obtained by directly hot-pressing PVDF films sandwiched between chitosan or cellulose films.The electrostatic interactions between PVDF and chitosan or cellulose enabled an exceptional high content of polar phases(β-andγ-phases)up to 90%and a measured piezoelectric charge coefficient d_(33)of up to-30 pC/N.This study provides a simple and low-cost approach for obtaining piezoelectric PVDF films used for sensors,actuators,and energy harvesters.