Molecular packing tuning via chlorinated end group enables efficient binary organic solar cells over 18.5%

Designing novel nonfullerene acceptors(NFAs)is of vital importance for the development of organic solar cells(OSC).Modification on the side chain and end group are two powerful tools to construct efficient NFAs.Here,based on the high-performance L8BO,we selected 3-ethylheptyl to substitute the inner chain of 2-ethylhexyl,obtaining the backbone of BON3.Then we introduced different halogen atoms of fluorine and chlorine on 2-(3-oxo-2,3-dihydro-1Hinden-1-ylidene)malononitrile end group(EG)to construct efficient NFAs named BON3-F and BON3-Cl,respectively.Polymer donor D18 was chosen to combine with two novel NFAs to construct OSC devices.Impressively,D18:BON3-Cl-based device shows a remarkable power conversion efficiency(PCE)of 18.57%,with a high open-circuit voltage(V_(OC))of 0.907 V and an excellent fill factor(FF)of 80.44%,which is one of the highest binary PCE of devices based on D18 as the donor.However,BON3-F-based device shows a relatively lower PCE of 17.79%with a decreased FF of 79.05%.The better photovoltaic performance is mainly attributed to the red-shifted absorption,higher electron and hole mobilities,reduced charge recombination,and enhanced molecular packing in the D18:BON3-Cl films.Also,we performed stability tests on two binary systems;the D18:BON3-Cl and D18:BON3-F devices maintain 88.1%and 85.5%of their initial efficiencies after 169 h of storage at 85°C in an N2-filled glove box,respectively.Our work demonstrates the importance of selecting halogen atoms on EG and provides an efficient binary system of D18:BON3-Cl for further improvement of PCE.

Low-temperature chlorination roasting technology for the simultaneous recovery of valuable metals from spent LiCoO_(2)cathode material

With the continuous increase in the disposal volume of spent lithium-ion batteries(LIBs),properly recycling spent LIBs has become essential for the advancement of the circular economy.This study presents a systematic analysis of the chlorination roasting kinetics and proposes a new two-step chlorination roasting process that integrates thermodynamics for the recycling of LIB cathode materials.The activation energy for the chloride reaction was 88.41 kJ/mol according to thermogravimetric analysis–derivative thermogravimetry data obtained by using model-free,model-fitting,and Z(α)function(αis conversion rate).Results indicated that the reaction was dominated by the first-order(F1)model when the conversion rate was less than or equal to 0.5 and shifted to the second-order(F2)model when the conversion rate exceeded 0.5.Optimal conditions were determined by thoroughly investigating the effects of roasting temperature,roasting time,and the mass ratio of NH_(4)Cl to LiCoO_(2).Under the optimal conditions,namely 400℃,20 min,and NH_(4)Cl/LiCoO_(2)mass ratio of 3:1,the leaching efficiency of Li and Co reached 99.43% and 99.05%,respectively.Analysis of the roasted products revealed that valuable metals in LiCoO_(2)transformed into CoCl_(2) and LiCl.Furthermore,the reaction mechanism was elucidated,providing insights for the establishment of a novel low-temperature chlorination roasting technology based on a crystal structure perspective.This technology can guide the development of LIB recycling processes with low energy consumption,low secondary pollution,high recovery efficiency,and high added value.

Formation potentials of typical disinfection byproducts and changes of genotoxicity for chlorinated tertiary effluent pretreated by ozone

The effects of ozonation on the formation potential of typical disinfection byproducts （DBPs） and the changes of genotoxicity during post chlorination of tertiary effluent from a sewage treatment plant were investigated. Ozonation enhanced the yields of all detected chlorine DBPs except CHCI3. At a chlorine dose of 5 mg/L, the three brominated THMs and five HAAs increased, while chloroform decreased with the increase of ozone dose from 0 to 10 mg/L （ozone dose in consumption base）. At a chlorine dose of 10 mg/L, the two mixed bromochloro species THMs and two dominant HAAs （DCAA and TCAA） increased firstly and then decreased with the increase of ozone dose, with the turning point approximately occurring at an ozone dose of 5 mg/L. The genotoxicity detected using umu test, on the other hand, was removed from 7 Ixg 4-NQO/L to a negligible level by ozonation under an ozone dose of 5 mg/L. Chlorination could further remove the genotoxicity to some extent. It was found that SUVA （UV absorbance divided by DOC concentration） might be used as an indicative parameter for monitoring the removal of genotoxicity during the oxidation.

Prescreening teratogenic potential of chlorinated drinking water disinfection by-products by using Hydra regeneration assay

Practicability of method for the Hydra regeneration assay on the prescreening teratogenic potential of chlorinated drinking water disinfection by products was studied through both the assays of toxicity of adult Hydra (T) and inhibition of the growth of regeneration Hydra (I) by using chloroform, dichloromethane and chloroacetic acid. The results showed that T 50 / I 50 ratios of chloroform and chloroacetic acid were 2 77 and 6 16 respectively, with teratogenic potential. T 50 / I 50 ratio of dichloromethane was 1.69, with weaker teratogenic potential. These experimental results indicated preliminarily that the Hydra regeneration assay has certainly applied value as a prescreening assay for developmental toxicity.

Residual Levels and New Inputs of Chlorinated POPs in Agricultural Soils from Taihu Lake Region

Selected persistent organochlorine pesticides (OCPs), including 1,1,1-trichloro-2,2-bis(p-chlorophenyl)ethane (DDT) and its principal metabolites 1,1-dichloro-2,2-bis(p-chlorophenyl)ethylene (DDE) and 1,1-dichloro-2,2-bis(p-chlorophenyl)e- thane (DDD), hexachlorocyclohexane (HCH) and its isomers (α-,β-, γ-, and δ-HCH), hexachlorobenzene (HCB), endo- sulfan, dieldrin, and endrin were quantified to determine current levels of organochlorine pesticides, to assess the eco- toxicological potential, and to distin…

Chlorinated butyl rubber/two-step modified montmorillonite nanocomposites:Mechanical and damping properties

Montmorillonite(MMT) was modified by ultrasound and castor oil quaternary ammonium salt intercalation method to prepare a new type of organic montmorillonite(OMMT). The surface structure, particle morphology, interlayer distance, and thermal behavior of the samples obtained were characterized. The modified OMMT was then added to chlorinated butyl rubber(CIIR) by mechanical blending, and a composite material with excellent damping properties was obtained. The mechanical experiment results of CIIR nanocomposites showed that the addition of OMMT improved their tensile strength, hardness,and stress relaxation rate. Compared with pure CIIR, when the content of OMMT was 5 phr(part per hundred of rubber), the tensile strength of the nanocomposite was increased by 677% and the elongation at break was also increased by 105.4%. The enhancement of this performance was mainly due to the dispersion of the nanosheets in CIIR rubber and the chemical interaction between the organoclay and the polymer matrix, which was confirmed by morphology and spectral analysis. OMMT also endowed a positive effect on the damping properties of CIIR nanocomposites. After adding 5 phr of OMMT, the nanocomposite owned the best damping performance, and the damping factor, tanδmax, was 37.9% higher than that of pure CIIR. Therefore, the good damping and mechanical properties of these CIIR nanocomposites provided some novel and promising methods for preparing high-damping rubber in a wide temperature range.

Biodegradability of Chlorinated Anilines in Waters

Objective To identify the bacteria tolerating chlorinated anilines and to study the biodegradability of o-chloroaniline and its coexistent compounds. Methods Microbial community of complex bacteria was identified by plate culture observation techniques and Gram stain method. Bacterial growth inhibition test was used to determine the tolerance of complex bacteria to toxicant. Biodegradability of chlorinated anilines was determined using domesticated complex bacteria as an inoculum by shaking-flask test. Results The complex bacteria were identified, consisting of Xanthomonas, Bacillus alcaligenes, Acinetobacter, Pseudomonas, and Actinomycetaceae nocardia. The obtained complex bacteria were more tolerant to o-chloroaniline than mixture bacteria in natural river waters. The effects of exposure concentration and inoculum size on the biodegradability of o-chloroaniline were analyzed, and the biodegradation characteristics of single o-chloroaniline and 2, 4-dichloroaniline were compared with the coexistent compounds. Conclusion The biodegradation rates can be improved by decreasing concentration of compounds and increasing inoculum size of complex bacteria. When o-chloroaniline coexists with aniline, the latter is biodegraded prior to the former, and as a consequence the metabolic efficiency of o-chloroaniline is improved with the increase of aniline concentration. Meanwhile, when o-chloroaniline coexists with 2,4-dichloroaniline, the metabolic efficiency of 2,4-dichloroaniline is markedly improved.

Chlorinated polymer solar cells simultaneously enhanced by fullerene and non-fullerene ternary strategies

To achieve efficient polymer solar cells(PSCs)with full utilization of the whole spectrum,the multicomponent devices are of great importance to be deeply explored,especially for their capability of one-step fabrication.However,the research about one same binary system simultaneously derivated various multi-component PSC is still very limited.Herein,we achieved the whole constructions from one binary host to different ternary systems and even the quaternary one.The ternary strategies with fullerene acceptor,PC_(71)BM,and non-fullerene acceptor,BT_(6)IC-BO-4Cl,as the third component,both boosted the device efficiencies of PBT4Cl-Bz:IT-4F binary system from about 9% to comparatively beyond 11%.Despite the comparable improvement of performance,there existed other similarities and differences in two ternary strategies.In detail,the isotropic carrier transport of PC_(71)BM which largely elevated the fill factor(FF)in the corresponding devices,while the strong absorption of BT_(6)IC-BO-4Cl enhanced the short current density(J_(SC))most.More interestingly,quaternary devices based on PBT4Cl-Bz:IT-4F:PC71 BM:BT_(6)IC-BO-4Cl could combine both advantages of fullerene and non-fullerene ternary strategies,further pumped the J_(SC) from 16.44 to the highest level of 19.66 mA cm^(-2) among all devices,eventually resulted in an optimized efficiency of 11.69%.It reveals that both fullerene and non-fullerene ternary strategies have their unique feature to elevate the device performance either by efficient isotropic carrier transport or better coverage of whole sunlight spectrum and easy tunable energy levels from organic materials.The key is how to integrate the two pathways in one system and provide a more competitive solution facing high-quality PSCs.

Dechlorination of Chlorinated Aliphatic Compounds by Micro-scale Al-Zn-Mg/Fe Powders as Advanced Zero-valent Iron

Micro-scale Al-Zn-Mg/Fe composite powders (MAF) with high reactivity and good storage properties were prepared by reducing iron onto the surface of Al-Zn-Mg alloy powders. Experimental results show that MAF as advanced zero-valent iron are highly effective for degradation of chlorinated organic compounds. The efficiency of degradation for carbon tetrachloride and perchloroethylene is higher than 99% within a period of 2 h. The efficiency of degradation for trichloroethylene by MAF after storing for one month is equivalent to that by freshly prepared nano-size zero-valent iron particles.

Aggregation of Sodium Dodecyl Sulfonate in Poly-ethylene Glycol Aqueous Solutions Studied by Two-dimensional Nuclear Overhauser Enhancement Spectroscopy

Two-dimensional nuclear overhauser enhancement (2D NOESY)measurements show that sodium dodecyl sulfonate SDSN molecules co-aggregate with poly-ethylene glycol PEG in their aqueous solution at a concentration range of SDSN between the so-called co-aggregation concentration (cac) and the. Normal critical micellar concentration (cmc). SDSN micelles are formed when the cmc of SDSN is reached with PEG uniformly distributed in the interior.

UV enhanced gas–solid synthesis of chlorinated poly vinyl chloride characterized by a UV–Vis online analysis method

Dynamic characteristics of UV enhanced gas–solid PVC chlorination process were revealed by a UV–Vis spectral online analysis method. Experimental results showed an instantaneous increase of the chlorination rate as soon as UV light was affiliated, which demonstrated the intensified effect of UV radiation on PVC chlorination directly.Different affiliation methods of UV light were then studied, proving that continuous UV radiation could enhance the chlorination process significantly while intermittent UV radiation was able to initiate the chlorination reaction once it was conducted. Besides, experiments were carried out to study the influences of parameters on the chlorination process such as UV wavelength, chlorination temperature, partial pressure of chlorine gas and PVC raw materials. Among all the parameters, chlorination temperature and partial pressure of chlorine gas were testified as two key factors to determine the chlorination performance. Thermal analysis of CPVC products showed that their corresponding properties such as the glass transition temperature(Tg) and the homogeneity of chlorine distribution in polymer phase were improved with the increase of chlorine content.

A new chlorinated non-fullerene acceptor based organic photovoltaic cells over 12%efficiency

The method to fluorinate the terminal group has achieved remarkable success and been widely used to fine-tune the intrinsic properties of organic acceptor materials.Referring to chlorination,however,it gets less attention and remains ambiguous effect on organic photovoltaic(OPV)cells.Herein,a new non-fullerene acceptor named Y19 was reported with benzotriazole as the electron-deficient core and 2Cl-ICs as the strong electron-withdrawing end groups.Y19 exhibits a wide film absorption band from 600 nm to 948 nm and low LUMO(the lowest unoccupied molecular orbital)energy level of−3.95 eV.Photovoltaic devices based on PM6:Y19 show high-power conversion efficiency(PCE)of 12.76%with high open-circuit voltage(Voc)of 0.84 V,short-circuit current density(Jsc)of 22.38 mA/cm2 and fill factor(FF)of 68.18%.Broad external quantum efficiency(EQE)response of over 60%in the range of 480−860 nm can be obtained.This study demonstrates that chlorination,as a low-cost molecular design strategy,has its own superiorities to improve device performance and promote the potential application in OPV.

TOXICITY OF CHLORINATED BENZENES TO MARINE ALGAE

Growth of Chlorella marine, Nannochloropsis oculata, Pyramidomonas sp, Platymonas subcordiformis and Phaeodactylum tricornutum exposed to monochlorobezene (MCB), 1, 2-dichlorobenzene (1, 2-DCB), 1, 2, 3, 4-tetrachlorobenzene (1, 2, 3, 4-TeCB) and pentachlorobenzene (PeCB) was tested. Tests of 72 h-EC50 values showed that the toxicity ranged in the order: MCB<1,2-DCB<1,2,3,4-TeCB<PeCB,and that toxjcity of chlorinated benzene (CB) alone to marine algae was almost in the order: Pyramidomonas sp.< Platymonas subcordiformis<Nannochloropsis oculata < Chlorella marine< Phaeodactylum tricomutum. Study of the QSAR (Quantitative Structure-Activity Relationship) between Kow and toxicity of CBs to marine algae showed good relationships between-logEC50 and logKow.

Determination of trace amounts of chlorinated insecticides and fungicides in ginseng using capillary gas chromatography and ^(63)Ni electron capture detector

A method for the simultaneous determination of a series of chlorinated insecticides and fungicides as residues in ginseng is presented in this article. Pulverized samples are subjected to Soxhlet extraction with acetone-petroleum ether and the extract is partitioned between petroleum ether and aqueous sodium sulfate solution (2:98). The combined petroleum ether phase is cleaned up by sulfuric acid and analyzed by capillary gas chromatography using 63Ni electron capture detector. Recoveries from the different concentrations for 11 kinds of chlorinated insecticides and fungicides are between 92.40 and 103.7% with coefficients of variations ranged 1.22 and 9.53% without samples, and between 89.00% and 104.10% with coefficients of variations between 1.16% and 9.16% with samples. The detection limits are 0.2- 7.0 ng/kg.

Quantitative structure retention relationship studies for predicting relative retention times of chlorinated phenols on gas chromatography

A new method of quantitative structure retention relationship(QSRR) studies was reported for predicting gas chromatography(GC) relative retention times(RRTs) of chlorinated phenols (CPs) using a DB 5 column. Chemical descriptors were calculated from the molecular structure of CPs and related to their gas chromatographic RRTs by using multiple linear regression analysis. The proposed model had a multiple square correlation coefficient R 2=0.970, standard error SE =0.0472, and significant level P =0.0000. The QSRR model also reveals that the gas chromatographic relative retention times of CPs are associated with physicochemical property interactions with the stationary phase,and influenced by the number of chlorine and oxygen in the CP melecules.

MECHANICAL PROPERTIES OF CHLORINATED POLYPROPYLENE——POLYPYRROLE FILM

The chlorinated polypropylene (PPC1)-polypyrrole (PPy) conducting films were successfully synthesized by a novel method for the first time. The mechanical properties of PPC1-PPy conducting films were investigated by means of stress-strain test and DMA. It was shown that the rupture strength and initial modulus increase with the increase of polypyrrole content , but the elongation at rupture decrease. Besides, the glass transition temperature (Tg) is increasing to a plateau when polypyrrole content attains 6%. Moreover, a new mechanical model to describe the mechanical properties of PPC1-PPy blend system is established by changing the correction factor in Mooney model. It was found that the theoretic value of the model is well coincident with the experimental results.

Research on the Preparation of Crosslinked Starch Chlorinated with Sodium Hypochlorite

Optimization of reaction variables such as catalyst type and amount, reaction temperature and time, formaldehyde amount, and oxidation extent of starch was studied for the crosslinking reaction of chlorinated cornstarch with formaldehyde. The reaction was carried out in aqueous suspension dispersed granular chlorinated cornstarch. Catalysts such as hydrochloric acid, sulfuric acid, and nitric acid were individually evaluated. The results show that the type and amount of the inorganic acid, formaldehyde amount, and oxidation extent of the chlorinated starch strongly affect the reaction efficiency. Hydrochloric acid shows the best catalyst effect on the reaction. Increasing the amount of the catalyst favourably raises the reaction efficiency. It is also demonstrated that the reaction efficiency is enhanced with the decrease of the oxidation extent of granular chlorinated starch.

EFFECTS OF MOLECULE AGGREGATION STATE OF HINDERED PHENOL ON DYNAMIC MECHANICAL PROPERTIES OF CHLORINATED POLYETHYLENE

Hindered phenol compound 3,9-bis{1,1-dimethyl-2[β-(3-tert-butyl-4-hydroxy-5-methylphenyl)propionyloxy]ethyl}- 2,4,8,10-tetraoxaspiro[5,5]-undecane (AO-80) is a polymorphous material with different physical structures. The initial AO- 80 is highly crystalline, whereas AO-80 obtained by cooling from its molten state is an amorphous material. Annealing treatment below the melting point of AO-80 results in structural development. The mixture of chlorinated polyethylene (CPE) and vitrified AO-80 particles exhibits a dramatic change in the dynamic mechanical properties during heat treatment at 130'C. This change can be attributed to the decomposition of the vitrified AO-80 particles and the hybridization of two constituents. The vitrified AO-80 particles can crystallize again in a CPE matrix by annealing at 100'C, but this crystal is different from that of the initial AO-80 in its microstructure. In addition, the incorporation of CPE chains caused a dramatic increase in the modulus. As a result, the AO-80 crystal particles that contain some CPE chains act as multifunctional cross- links and the CPE/AO-80 hybrid was found to be a new type of elastomer.

Colorectal cancers and chlorinated water

Published reports have revealed increased risk of colorectal cancers in people exposed to chlorinated drinking water or chemical derivatives of chlorination. Oestrogen plays a dual positive functions for diminishing the possibilities of such risk by reducing the entrance, and increasing the excretion, of these chemicals. In addition, there are supplementary measures that could be employed in order to reduce this risk further, such as boiling the drinking water, revising the standard concentrations of calcium, magnesium and iron in the public drinking water and prescribing oestrogen in susceptible individuals. Hypo-methylation of genomic DNA could be used as a biological marker for screening for the potential development of colorectal cancers.

THE STUDY ON CHLORINATED POLYPROPYLENE (PPCI)-POLYPYRROLE (PPy) COMPOSITE FILM

The chlorinated polypropylene-polypyrrole composite film was synthesized by means of a newmethod for the first time. The effects of various conditions on polymerization and the electric con-ductivity of PPCl-PPy composite film were investigated. It was found that PPCl-FeCl3 mixturehad an excellent film-forming ability and PPCl-PPy composite film could attain high conductivityat low content of polypyrrole and was stable for heat and atmosphere.