Type Of Anion Research Articles

Tuning Threshold Voltage of Electrolyte-Gated Transistors by Binary Ion Doping.

Electrolyte-gated transistors (EGTs) operating at low voltages have attracted significant attention in widespread applications, including neuromorphic devices, nonvolatile memories, chemical/biosensors, and printed electronics. To increase the practicality of the EGTs in electronic circuits, systematic control of threshold voltage (Vth), which determines the power consumption and noise margin of the circuits, is essential. In this study, we present a simple strategy for systematically tuning Vth to almost half of the operating potential range of the EGT by controlling the electrochemical doping of electrolyte ions into organic p-type semiconductors. The type of anion in the ionogel determines Vth as well as other transistor characteristics, such as the subthreshold swing and mobility, because the positive hole carriers are the majority carriers. More importantly, Vth can be finely controlled by binary anion doping using ionogels with two anions with varying molar fractions at a fixed cation. In addition, the binary anion doping successfully controls the inversion characteristics of ion-gated inverters. As unlimited combinations of ion pairs are possible for ionogels, this study opens a route for controlling the device characteristics to expand the practicality and applicability of ionogel-based EGTs for next-generation ionic/electronic devices.

Synthesis, structure, and Mössbauer spectroscopic studies on the heat-induced solid-phase redox reactions of hexakis(urea-O)iron(III) peroxodisulfate

Anhydrous hexakis(urea-O)iron(III)]peroxydisulfate ([Fe(urea-O)6]2(S2O8)3 (compound 1), and its deuterated form were prepared and characterized with single-crystal X-ray diffraction and spectroscopic (IR, Raman, UV, and Mössbauer) methods. Six crystallographically different urea ligands coordinate via their oxygen in a propeller-like arrangement to iron(III) forming a distorted octahedral complex cation. The octahedral arrangement of the complex cation and its packing with two crystallographically different persulfate anions is stabilized by extended intramolecular (N–H⋯O = C) and intermolecular (N–H⋯O–S) hydrogen bonds. The two types of peroxydisulfate anions form different kinds and numbers of hydrogen bonds with the neighboring [hexakis(urea-O)6iron(III)]3+ cations. There are spectroscopically six kinds of urea and three kinds (2 + 1) of persulfate ions in compound 1, thus to distinguish the overlapping bands belonging to internal and external vibrational modes, deuteration of compound 1 and low-temperature Raman measurements were also carried out, and the bands belonging to the vibrational modes of urea and persulfate ions have been assigned. The thermal decomposition of compound 1 was followed by TG-MS and DSC methods in oxidative and inert atmospheres as well. The decomposition starts at 130 °C in inert atmosphere with oxidation of a small part of urea (~ 1 molecule), which supports the heat demand of the transformation of the remaining urea into ammonia and biuret/isocyanate. The next step of decomposition is the oxidation of ammonia into N2 along with the formation of SO2 (from sulfite). The main solid product proved to be (NH4)3Fe(SO4)3 in air. In inert atmosphere, some iron(II) compound also formed. The thermal decomposition of (NH4)3Fe(SO4)3 via NH4Fe(SO4)2 formation resulted in α-Fe2O3. The decomposition pathway of NH4Fe(SO4)2, however, depends on the experimental conditions. NH4Fe(SO4)2 transforms into Fe2(SO4)3, N2, H2O, and SO2 at 400 °C, thus the precursor of α-Fe2O3 is Fe2(SO4)3. Above 400 °C (at isotherm heating), however, the reduction of iron(III) centers was also observed. FeSO4 formed in 27 and 75% at 420 and 490 °C, respectively. FeSO4 also turns into α-Fe2O3 and SO2 on further heating.Graphical abstract

ANALYSIS OF THE CATIONIC-ANIONIC COMPOSITION OF FEED

When compiling diets for productive animals, one of the indicators taken into account is the cationanion balance, which is calculated based on the content of sodium and potassium cations and sulfate and chloride anions. The cationic-anionic composition of feed is very diverse. The lack or excess of one or another cation or anion in feed can lead to disruption of metabolic processes and various diseases of non-infectious etiology.The aim of the work was to quantify and analyze the cationanion composition of feed for productive animals by capillary electrophoresis.The research was carried out in the conditions of the educational and research center for the examination of food and animal feed of the St. Petersburg State University of Veterinary Medicine. 76 samples of various feeds for productive animals were used as research materials: 19 samples of grass flour, cake, mixed feeds for cattle.The study of the cationic composition of the studied feed samples was carried out, guided by the methodology M 04-65-2010 «Feed, compound feed and raw materials for their production. The method of measuring the mass fraction of ammonium, potassium, sodium, magnesium and calcium cations by capillary electrophoresis using the capillary electrophoresis system «Kapel», and anionic composition – according to the method M 04 -73-2011 «Feed, compound feed and raw materials for their production. The method of measuring the mass fraction of water-soluble forms of chloride, sulfate, nitrate and phosphate ions by capillary electrophoresis using the capillary electrophoresis system «Kapel» (GC «LUMEX»).Thus, analyzing the results obtained, it was found that in all samples of feed for productive animals, the mass fraction of cations and anions varied depending on the type of cation or anion and feed.Determination of the cationic-anionic composition of feed is a necessary condition for the formation of a full-fledged diet that provides the body of productive animals with nutrients, which is especially important in modern conditions of intensification of animal husbandry and agricultural development.

Study on Synergistic Demulsification Mechanism of Microwaves and Ionic Liquids on Heavy Oil Emulsions

Summary Heavy oil-in-water (O/W) emulsions must be treated before refinement and transportation, and microwave and ionic liquid (IL) synergistic effects are stable, efficient, and environmentally friendly methods of demulsification. In this study, the synergistic effects of various IL anion and cation types and concentrations upon microwave emulsion demulsification were investigated. The interfacial tension (IFT) and zeta potential of the ILs and the distribution of oil droplets were measured before and after microwave radiation using a spinning drop tensiometer, zeta potential analyzer, and biological microscope to elucidate the synergistic mechanism of microwave and IL demulsification. The results indicate that microwave radiation parameters that are set too high or low can have an inhibitory effect on demulsification. When [C16MIM]Br with a concentration of 1 mmol/L was used as the IL, and the microwave radiation parameters were set to 300 W for 30 seconds, the demulsification efficiency reached 89.29%, which was 3.23 times and 2.08 times higher than the individual demulsification efficiency of microwave radiation and IL, respectively. This study provides a novel approach for examining high-performance demulsification, and it extends the applicability of microwave-IL synergy.

(Invited) Effects of Halide Anion Type and Alkyl Chain Length on Hydrogen Bonding in Eutectic Solvent System

Deep eutectic solvent (DES), formed by the intermolecular hydrogen bonding between its components of an H–bond acceptor (HBA) and an H–bond donor (HBD), has been extensively studied in the area of material synthesis, catalysis, electrochemistry, etc. The properties of DES including melting point, color, density, viscosity, conductivity, etc. are closely related to the H-bond network. Establishing an understanding of the H-bond structure offers an opportunity to fine-tune these properties.Hence, in this study, we systematically investigated the effects of halide anion type and alkyl chain length on the hydrogen bond network of a series of eutectic solvent systems and attempted to establish an unambiguous H-bond correlation with the conductivity. We varied the halide anion from Cl− to I− (Cl−, Br−, I−) and the alkyl chain length from methyl to butyl (n c = 1, 2, 4), and performed FTIR and conductivity measurements. Results show that the OH stretching peak exhibits a blue shift with the halide anion varies in the order of Cl−, Br−, I− when compared with the neat ethylene glycol (Figure 1a), indicating an increase in H-bond strength. A similar trend can be found with the increasing alkyl chain length as well. A stronger H-bond network inhibits the mobility of these halide anions in the eutectic system, as a result, the conductivity will decrease as shown in Figure 1b. Further probing the H-bond network with ultrafast spectroscopy is currently underway. Figure 1. (a) FTIR spectrum of neat EG and TBAX:EG(1:10) sample, X= Cl−, Br−,I−. (b) Trend between the OH stretching peak shift (vs. neat EG) and conductivity of these investigated samples.AcknowledgememtsThis work was supported as part of the Breakthrough Electrolytes for Energy Storage (BEES), an Energy Frontier Research Center funded by the U.S. Department of Energy, Office of Science, Basic Energy Sciences under Award # DE-SC0019409 Figure 1

Adsorption of ammonium ions onto the external surface of smectite: Effects of layer charge, concentration, anion and comparison with interlayer adsorption

The residual and release of ammonium in ion-adsorption rare earth tailings and soil are related to the interaction of NH4+ with clay minerals. Molecular dynamics simulations were used to study the adsorption and diffusion of NH4+ on the external surface of smectite. The factors, such as layer charge position (octahedral and tetrahedral substitution) and charge density (0.5, 1.0 and 1.5 e⋅uc−1, where uc denotes unit cell), initial NH4+ concentration (from 0.64 to 1.60 mol⋅L−1), and anion types (Cl−, NO3− and SO42−) were considered. The results of NH4+ adsorption on the external surface were also compared with that in the interlayer. The layer charge of smectite significantly affected the interaction between NH4+ and smectite. With increasing charge density, the major NH4+ surface complexes were changed from outer-sphere to inner-sphere, resulting in increased adsorption density and stability, which was verified by calculated hydration structure and adsorption free energies. The inner-sphere NH4+ complexes were located above the centers of the hexagonal rings and the Si tetrahedras for montmorillonite at a charge density of 1.0 e⋅uc−1, while only located in the vicinity of tetrahedral substitutions for beidellite. NO3− promoted the adsorption of NH4+ as inner-sphere complexes relative to Cl− and SO42−. As the water content in the interlayer increased, the confinement effect weakened and the mobility of NH4+ increased, and the NH4+ adsorption in the interlayer exhibited similar characteristics to that on the external surface at a water content of 10 H2O⋅uc−1.

New task-specific ionic liquids based on phenyl diazenyl methyl pyridinium cation: Energetic, electronic and optical properties exploration based on DFT calculations

Physicochemical properties of the three series of task-specific ILs formed from methyl pyridinium [MPy]+, phenyl diazenyl methyl pyridinium [DMPy]+ and functionalized diazenyl methyl pyridinium [X−DMPy]+ (X: NH2, OH, OCH3, CH3, C2H5, H, F, CHO, CN and NO2) cations and benzoate ([Y1]-), benzenesulfonate ([Y2]-), nitrate ([Y3]-) and tetra fluoroborate ([Y4]-) anions were investigated using density functional theory (DFT) calculations at M06-2X/AUG–cc–pVDZ level of theory. For the introduced task-specific ILs the structural parameters, energetic, electronic and topological characteristics were calculated and discussed using electrostatic maps and indexes of NBO, QTAIM, ECW and NCI. The effect of the type of anions, functional group, variation of the substituents on the functional group at cationic part on the interaction energy as well as some of their physical, chemical and optical properties are taking into account.

Nanomechanical signatures of degradation-free influence of water on halide perovskite mechanics

Humidity is often reported to compromise the stability of lead halide perovskites or of devices based on them. Here we measure the humidity dependence of the elastic modulus and hardness for two series of lead halide perovskite single crystals, varying either by cation or by anion type. The results reveal a dependence on bond length between, hydrogen bonding with, and polarizability/polarization of these ions. The results show an intriguing inverse relation between modulus and hardness, in contrast to their positive correlation for most other materials. This anomaly persists and is strengthened by the effect of humidity. This, and our overall findings are ascribed to the materials’ unique atomic-scale structure and properties, viz nano-polar domains and strong dynamic disorder, yet high-quality average order. Our conclusions are based on comparing results obtained from several different nano-indentation techniques, which separate surface from bulk elastic modulus, and probe different manifestations of the hardness.

Adsorption of imidazolium-based ionic liquids on the Fe(1 0 0) surface for corrosion inhibition: Physisorption or chemisorption?

The use of imidazolium-based ionic liquids (ILs) as corrosion inhibitors for iron was studied using both first-principles based density functional theory (DFT) calculations and ab initio molecular dynamics (AIMD), to understand their adsorption structure, stability, and mechanism. A total of 36 ionic liquids (ILs) were selected, with various anion type (Cl−, Br−, I−, N(CN)2−, BF4− and PF6−) and alkyl chain length (Cn, n = 0, 1, 2, 4 and 6). Our calculations revealed that the ILs exhibit strong adsorption on the metal surface and is classified as chemisorption under various different criteria. AIMD simulations including explicit solvation effects verified that these adsorption configurations calculated under vacuum are representative of the adsorption process in an aqueous environment. Furthermore, we showed that the basis of this chemisorption interaction is through net electron donation from the iron slab to the imidazolium ring. Employing dispersion corrected DFT methods (DFT-D3), we demonstrated that the alkyl chain length of the cation greatly influences adsorption energy. Finally, we showed that DFT calculations model the adsorption process much more accurately compared to classical molecular dynamics calculations. The results from this computational study agree with past experimental findings and demonstrate that DFT calculations can be used to provide insight into the nature of the adsorption process of the green and sustainable ILs involved in corrosion inhibition.

Biological activity, solvation properties and microstructuring of protic imidazolium ionic liquids

Protic imidazolium ionic liquids (PILs) have shown great potential as regents and catalysts in liquid-phase chemistry. However, their biological activity/toxicity and solvation properties are rather understudied compared to those of more common aprotic ionic liquids (APILs). In this work, for the first time, we studied the cytotoxicity of nine chemically relevant imidazolium PILs with various alkyl side chains in the cation and compared it with the cytotoxicity of the corresponding aprotic analogues. The experimental data were supported by computational modeling. The results suggested the type of anion to be the major factor governing the cytotoxicity of the studied ILs with short alkyl side chains. Of note, even low-toxic PILs imposed considerable deleterious effects on eukaryotic cells when used as cryopreservation agents. According to a scanning electron microscopy (SEM) study, due to the weak amphiphilic properties of imidazolium cations with short alkyl side chains, the studied IL/water mixtures tended to produce simple solid hydrates rather than complex liquid systems with microdomain organization.

Molecular simulations of thermodynamic properties of trigeminal tri-cationic ionic liquids: number of rings and anion type effects

Molecular simulations of thermodynamic properties of trigeminal tri-cationic ionic liquids: number of rings and anion type effects

Chloride Ions, Vascular Function and Hypertension.

Blood pressure is determined by cardiac output and systemic vascular resistance, and mediators that induce vasoconstriction will increase systemic vascular resistance and thus elevate blood pressure. While peripheral vascular resistance reflects a complex interaction of multiple factors, vascular ion channels and transporters play important roles in the regulation of vascular tone by modulating the membrane potential of vascular cells. In vascular smooth muscle cells, chloride ions (Cl−) are a type of anions accumulated by anion exchangers and the anion–proton cotransporter system, and efflux of Cl− through Cl− channels depolarizes the membrane and thereby triggers vasoconstriction. Among these Cl− regulatory pathways, emerging evidence suggests that upregulation of the Ca2+-activated Cl− channel TMEM16A in the vasculature contributes to the increased vascular contractility and elevated blood pressure in hypertension. A robust accumulation of intracellular Cl− in vascular smooth muscle cells through the increased activity of Na+–K+–2Cl− cotransporter 1 (NKCC1) during hypertension has also been reported. Thus, the enhanced activity of both TMEM16A and NKCC1 could act additively and sequentially to increase vascular contractility and hence blood pressure in hypertension. In this review, we discuss recent findings regarding the role of Cl− in the regulation of vascular tone and arterial blood pressure and its association with hypertension, with a particular focus on TMEM16A and NKCC1.

Anion-Induced Reversible Actuation of Squaramide-Crosslinked Polymer Gels.

Supramolecular anion binding to squaramide crosslinkers in poly(N,N-dimethylacrylamide) gel networks enhances swelling and allows reversible chemically driven actuation. The volume swelling ratio of the gels is shown to depend on both the type of anion and its concentration. 1H NMR and UV–vis titrations with the squaramide crosslinkers reveal a relationship between anion binding affinity and the concentration-dependent swelling behavior. Gel swelling is shown to be reversible, and by embedding a solid support into rod-shaped gels, soft actuators are fabricated that undergo forward and backward bending motion in response to changing anion concentration. The swelling and bending process, which is accompanied by intense green coloration of the gel, is achieved by using only low amounts of crosslinker. This macroscopic actuation achieved by anion binding to specific molecular entities in the polymer network will open new opportunities in the field of chemically responsive materials.

Effect of various types of anions and anionic surfactants on the performance of micellar-enhanced ultrafiltration process in the removal of Pb(II) ions: An optimization with the response surface methodology

In the present study, the micellar-enhanced ultrafiltration (MEUF) process was employed for the removal of Pb2+ ions from aqueous solutions using sodium dodecyl sulfate (SDS) and sodium lauroyl sarcosinate (Sarkosyl) as the anionic surfactants. The performance of Sarkosyl was compared to SDS, a frequently used surfactant in the MEUF processes, to evaluate their efficiency in the removal of lead ions. Sodium chloride (NaCl) was used as the electrolyte and the role of lead salt anions, lead nitrate (Pb(NO3)2) and lead chloride (PbCl2), was also investigated for the first time in the MEUF process. The MEUF process was modeled using response surface methodology (RSM), and experiments were designed and carried out based on the central composite design (CCD). Two categorical variables of anionic surfactants and lead salts, and two numerical variables of Pb2+ and electrolyte concentrations were considered as the studied factors in this design. The process was assessed in terms of its ability to simultaneously maximize Pb2+ rejection and permeate flux. The results showed that increasing the concentration of NaCl significantly reduces the permeate flux, while lead ions concentration has a negligible impact on the permeate flux. The response surface plots also indicated that the effect of the anionic surfactant type on the permeate flux is insignificant. In the studied range of lead concentrations, the highest removals of Pb2+ ions were observed at the concentration of 21 mg/L of Pb(NO3)2 and 0.05 M of NaCl, equal to 79.27% and 94.74% for Sarkosyl and SDS anionic surfactants, respectively.

Hydrothermal reaction of cellulose in ionic liquid catalyzed by Er(OTf)3

This research explores the potential of ionic liquid to improve lactic acid yield of the hydrothermal reaction of cellulose. The research premise was that ionic liquid dissolved cellulose and water into liquid phase, which would facilitate the formation of glucose and lactic acid using water-tolerant catalyst Erbium (III) trifluoromethanesulfonate (Er(OTf)3). Contrary to the research premise, the experiment revealed that dissolving cellulose in ionic liquid prior to hydrothermal reaction lowered lactic acid yield while increasing hydroxymethylfurfural (HMF) yield. The phenomenon could be attributed to dissociation of water and ionic liquid to give hydronium ion and chloride ion, which subsequently formed hydrochloric acid (HCl). HCl catalyzed cellulose into HMF, in addition to lactic acid. Pressure and pressurized gas had minimal impact on the yield of lactic acid, while the hydrothermal reaction was affected by type of cation and anion of ionic liquid. The highest lactic acid yield of 54.26% was achieved by using 1-butyl-3 methylimidazolium chloride ionic liquid, with 190 °C, 30-min, 10 bar CO2 initial pressure, and Er(OTf)3 50 wt% cellulose. Meanwhile, the highest HMF yield of 66.06% was realized with 1-butyl-3-methylimidazolium hydrogen sulfate in the absence of Er(OTf)3.

Anionic assisted incorporation of WO3 nanoparticles for enhanced electrochemical properties of AZ31 Mg alloy coated via plasma electrolytic oxidation

The present work examined the influence of anion type on incorporating WO 3 into the MgO layer produced via plasma electrolytic oxidation of AZ31 Mg alloy. Here, three different anions, such as aluminate (AlO 2 - ), silicate (SiO 3 2- ), and phosphate (PO 4 3- ) were added separately into an alkaline electrolyte containing WO 3 nanoparticles. The microstructural observations revealed that the incorporation of the WO 3 nanoparticles is affected by the diameter of discharge channels associated with the type of anion added into the electrolyte. The sample produced from phosphate electrolytes had higher thickness but was more porous than those obtained in aluminate or silicate electrolytes. Regardless of anion type, the amounts of WO 3 nanoparticles incorporated into the inner layer of PEO coating were more significant than those incorporated into the outer layer, where a WO 3 -rich inner layer was obtained in the case sample coated in electrolyte with silicate anions. The electrochemical measurements in a 3.5 wt% NaCl solution indicated that the corrosion resistance of the sample coated in silicate electrolyte was superior to other samples in which the sample coated in phosphate electrolyte exhibited the lowest corrosion resistance. This behavior is explained by a mechanism in which every anion produces its microstructural defects under the influence of discharge types, such as type-A, B, C, D, and E, thus, affecting the physical incorporation of WO 3 into the MgO layer under plasma conditions. • Incorporation of WO3 nanoparticles is affected by the anion type. • The anion type affects the types of plasma discharges developed during PEO. • WO3 nanoparticles affected by discharge type affiliated with particular anion. • Effect of SiO3 2- anions on the corrosion behavior of PEO coating is significant

Sodium-pillared vanadium oxides as next-gen materials: Does co-inserted water control the cyclic stability of vanadates in an aqueous electrolyte?

Layered vanadium oxides are, due to their adaptable interlayer distance and a multivalent state of vanadium, interesting electrode materials for various kinds of metal-ion batteries with both aqueous and nonaqueous electrolytes. In this study, a precursor solution adjusted for hydrothermal synthesis of sodium vanadate Na2V6O16, is modified by addition of carbon nanopowder Vulcan XC72, and this suspension is used for an one-pot hydrothermal synthesis of sodium vanadate/C composite. XRD analysis evidenced that the obtained composite is the mixture of two vanadate phases: Na2V6O16 and NaV6O15, instead of expected single-phase vanadate. SEM and TEM observations of composite revealed that these vanadate phases emerge in a form of both nanowires and nanospheres. The heterogeneity of phases and morphology of the composite is attributed to the directional action of carbon nanoparticles as a nucleation seed. The composite, used in aqueous Li-ion battery with LiFe0.95V0.05PO4/C cathode and LiNO3 electrolyte, displayed improved charge storage (220 mAh g−1 at current rate 150 mA g−1 in the initial discharge), after dc charging, in comparison to NaV6O15 or Na2V6O16 nanowire anodes. Furthermore, versatile insertion capability of this heterostructured composite towards mono (Li+, Na+) and multivalent (Ca2+, Mg2+, Al3+) ions in aqueous electrolytes is demonstrated by Cyclic Voltametry method, where the capacity stability depends on the type of cation, following the order Al3+, Li+, Mg2+, Ca2+. Upon 100 potentiodynamic chaging/discharging cycles, Ca2+ions display much better capacitance retention than Li+ ions (i.e., 64 vs. 13% of the initial value). The coinserted electrolyte constituents, H2O and OH− species, are considered to be responsible for the improved capacity retention, making vanadium ions less strained and less soluble. The pH, the concentration of the electrolyte and the type of anion are found to influence the cyclic behavior of observed vanadate composite in Ca-containing electrolyte. These results open a new directions in vanadate electrochemistry towards more sustainaible and cheaper aqueous batteries.

The Relation Between the Microstructure of Aluminum Alloy 7075-T6 and the Type of Cerium Salt in the Formation of the Cerium Conversion Layer

The deposition of the cerium conversion layer on aluminum alloy 7075-T6 proceeds by a simple procedure of immersion, but it is affected by several factors which govern its corrosion protectiveness. The study aimed to investigate two crucial relationships: (i) how the type of cerium salt used for conversion affects the composition, thickness, and electrochemical characteristics of the deposited layers, and (ii) how the deposition depends on the type of intermetallic particles. Four sets of samples were prepared by immersion in 0.1 M NaCl with and without adding 3 mM Ce(III) salts: chloride, nitrate, and acetate. Samples were analyzed by scanning electron microscopy with chemical analysis at the same site before and after immersion. Therefore, this study is site-specific and targets the mode of corrosion and deposition of the Ce-conversion layer as a function of the intermetallic particle’s type. The type of anion of Ce salt affects the path of conversion layer formation. The corrosion protectiveness is the highest for acetate salt. The model was postulated, describing the precipitation of a mixed layer by the dynamic “two-way road” process of selectively dissolving elements from the substrate and precipitating Ce-hydroxide. Dealloying of intermetallic particles is the governing mechanism for the precipitation of large Ce-containing deposits.

Strong Influence of the Anion Radius on the Passivation of Selenium Vacancy in Monolayer InSe: Insights from Time-Domain Ab Initio Analysis

Using nonadiabatic molecular dynamics combined with the time-domain density functional theory, we have explored the influence of selenide vacancy and passivation of anions with different radii on the nonradiative charge trapping and recombination in monolayer InSe. Our results reveal that electron–hole recombination for pristine InSe occurs within several nanoseconds due to the weak nonadiabatic (NA) coupling. Selenide vacancy generates three trap states within the band gap, enhances the NA coupling, and provides new channels for charge carrier relaxation, resulting in the significantly decreased charge carrier recombination time. Passivating the selenide vacancy with anions (O2–, S2–, and Te2–) can eliminate the trap states within the band gap and extend the charge carrier lifetimes because of the decreased NA coupling. Meanwhile, the passivation effect of anions is dramatically dependent on the type of anions, and S2– is more suitable for repairing selenide vacancy than O2– and Te2– because S2– and Se2– have much closer radii. This study provides an atomistic mechanism of the effects of selenide vacancy and anion passivation on the performance of InSe thin-film solar cells and suggests that the choice of anions with a suitable radius is valuable for prolonging the excited-state lifetime.

Removal of Emerging Contaminants from Water Using Cyclodextrin-Based Polymers and Advanced Oxidation Processes: The Case of Carbamazepine

Using a water-insoluble β-cyclodextrin-epichlorohydrin copolymer (β-EPI) as an adsorbent to remove carbamazepine (CBZ), an anti-epileptic drug often found both in hospital and urban wastewater, has been validated. The effect of several physicochemical parameters on CBZ retention onto β-EPI, such as contact time, adsorbent dosage, CBZ initial concentration, pH, salts, and temperature, was assessed. The adsorption process occurs in a very short time, less than 20 min, and depends on CBZ concentration and β-EPI amount used. Changes in pH and salt presence, regardless of the type of cation or anion used, do not significantly affect the system’s efficiency. Desorption experiments were also performed, and methanol has proven to be the best CBZ extraction medium; it was also found that the polymer can be recovered and reused for at least five cycles, which makes it cheap and environmentally friendly. Advanced oxidation processes were also tested for CBZ removal by synthesizing a β-EPI polymer bearing titanium dioxide for adsorption and consecutive photocatalytic degradation of the retained pollutant directly onto the material; the effect of TiO2 amount in the polymer on CBZ oxidation was evaluated. These experiments highlighted the system’s effectiveness, and it was also observed that the H2O2 presence in the solution enhanced the CBZ photodegradation.