Influences of alkali oxides doping on the crystal structure, defects and hydration behavior of tricalcium silicate C_3S were investigated by X-ray powder diffraction with the Rietveld method, inductively coupled plasm...Influences of alkali oxides doping on the crystal structure, defects and hydration behavior of tricalcium silicate C_3S were investigated by X-ray powder diffraction with the Rietveld method, inductively coupled plasma optical emission spectroscopy, thermoluminescence and isothermal calorimetry. All the samples were stabilized as T1 form C_3S. Changes in the crystal structure of C_3S could mainly be monitored by changes in lattice parameters, which were closely correlated with the incorporation concentration and substitution types of alkalis. Although alkalis were incorporated at trace level in C_3S, the thermoluminescence and hydration behavior of C_3S were significantly influenced. Initial hydration activity was dramatically increased and highly related to the intensity of the irradiation-induced thermoluminescence peaks at low temperatures due to their direct correlation with defects. The oxygen vacancy sites resulting from the substitution of alkalis for Ca could readily account for the acceleration of the initial hydration of C_3S.展开更多
Chemical loss such as surfactants and alkalis by adsorption to reservoir rock surface is an important issue in enhanced oil recovery(EOR). Here, we investigated the adsorption behaviors of anionic surfactants and alka...Chemical loss such as surfactants and alkalis by adsorption to reservoir rock surface is an important issue in enhanced oil recovery(EOR). Here, we investigated the adsorption behaviors of anionic surfactants and alkalis on silica for the first time as a function of temperature using quartz crystal microbalance with dissipation(QCM-D). The results demonstrated that the temperature dependent critical micelle concentration of alcohol alkoxy sulfate(AAS) surfactant can be quantitatively described by the thermodynamics parameters of micellization, showing a mainly entropy-driven process. AAS adsorption was mediated under varying temperature conditions, by divalent cations for bridging effect, monovalent cations competitive for adsorption sites but not giving cation bridging, pH regulation of deprotonated sites of silica, presence of alkoxy groups in the surfactants, and synergistic effect of surfactant coinjection. The addition of organic alkalis can enhance the overall adsorption of the species with AAS,whereas inorganic alkali of Na_(2)CO_(3) had capability of the sequestration of the divalent ions, whose addition would reduce AAS adsorption. The typical AAS adsorption indicated a non-rigid multilayer,estimated to have between 2 and 5 layers, with a likely compact bilayer followed by disorganized and unstable further layering. The new fundamental understanding about temperature effect on surfactants and alkalis adsorption contributes to optimizing the flooding conditions of chemicals and developing more efficient mitigation strategies.展开更多
High-energy density lithium-ion batteries(LIBs)with layered high-nickel oxide cathodes(LiNi_(x)Co_(y)Mn_(1-x-y)O_(2),x≥0.8)show great promise in consumer electronics and vehicular applications.However,LiNi_(x)Co_(y)M...High-energy density lithium-ion batteries(LIBs)with layered high-nickel oxide cathodes(LiNi_(x)Co_(y)Mn_(1-x-y)O_(2),x≥0.8)show great promise in consumer electronics and vehicular applications.However,LiNi_(x)Co_(y)Mn_(1-x-y)O_(2)faces challenges related to capacity decay caused by residual alkalis owing to high sensitivity to air.To address this issue,we propose a hazardous substances upcycling method that fundamentally mitigates alkali content and concurrently induces the emergence of an anti-air-sensitive layer on the cathode surface.Through the neutralization of polyacrylic acid(PAA)with residual alkalis and then coupling it with 3-aminopropyl triethoxysilane(KH550),a stable and ion-conductive cross-linked polymer layer is in situ integrated into the LiNi_(0.89)Co_(0.06)Mn_(0.05)O_(2)(NCM)cathode.Our characterization and measurements demonstrate its effectiveness.The NCM material exhibits impressive cycling performance,retaining 88.4%of its capacity after 200 cycles at 5 C and achieving an extraordinary specific capacity of 170.0 mA h g^(-1) at 10 C.Importantly,this layer on the NCM efficiently suppresses unfavorable phase transitions,severe electrolyte degradation,and CO_(2)gas evolution,while maintaining commendable resistance to air exposure.This surface modification strategy shows widespread potential for creating air-stable LiNi_(x)Co_(y)Mn_(1-x-y)O_(2)cathodes,thereby advancing high-performance LIBs.展开更多
Viologens known as a kind of promising negolyte materials for aqueous organic redox flow batteries,face a critical stability challenge due to the S_N2 nucleophilic attack by hydroxide ions(OH-)during the battery cycli...Viologens known as a kind of promising negolyte materials for aqueous organic redox flow batteries,face a critical stability challenge due to the S_N2 nucleophilic attack by hydroxide ions(OH-)during the battery cycling.In this work,a N-cyclic quaternary ammonium-grafted viologen molecule,viz.1,1'-bis(4,4'-dime thylpiperidiniumyl)-4,4'-bipyridinium tetrachloride((DBPPy)Cl_(4)),is developed by the molecular engineering strategy.The obtained(DBPPy)Cl_(4) molecule shows a decent solubility of 1.84 M and a redox potential of-0.52 V vs.Ag/AgCl,Experimental and theoretical results reveal that the grafted N-cyclic quaternary ammonium groups act as the steric hindrance to prevent nucleophilic attack by OH~-,increasing the alkali resistance of the electroactive molecule.The symmetrical battery with 0.50 M(DBPPy)Cl4shows negligible decay during the 13-day cycling test.As demonstration,the flow battery utilizing 1.0 M(DBPPy)Cl_(4) as the negolyte and 1-(1-oxyl-2,2',6,6'-tetramethylpiperidin-4-yl)-1'-(3-(trimethylammonio)propyl)-4,4'-bipyridinium trichloride as the posolyte exhibits a high capacity retention rate of 99.99%per cycle at 60 mA cm^(-2).展开更多
1-hexene aromatization is a promising technology to convert excess olefin in fluid catalytic cracking(FCC)gasoline to high-value benzene(B),toluene(T),and xylene.Besides,the increasing market demand of xylene has put ...1-hexene aromatization is a promising technology to convert excess olefin in fluid catalytic cracking(FCC)gasoline to high-value benzene(B),toluene(T),and xylene.Besides,the increasing market demand of xylene has put forward higher requirements for new generation of catalyst.For increasing xylene yield in 1-hexene aromatization,the effect of mesopore structure and spatial distribution on product distribution and Zn loading was studied.Catalysts with different mesopore spatial distribution were prepared by post-treatment of parent HZSM-5 zeolite,including NaOH treatment,tetra-propylammonium hydroxide(TPAOH)treatment,and recrystallization.It was found the evenly distributed mesopore mainly prolongs the catalyst lifetime by enhancing diffusion properties but reduces the aromatics selectivity,as a result of damage of micropores close to the catalyst surface.While the selectivity of high-value xylene can be highly promoted when the mesopore is mainly distributed interior the catalyst.Besides,the state of loaded Zn was also affected by mesopores spatial distribution.On the optimized catalyst,the xylene selectivity was enhanced by 12.4%compared with conventional Zn-loaded parent HZSM-5 catalyst at conversion over 99%.It was attributed to the synergy effect of mesopores spatial distribution and optimized acid properties.This work reveals the role of mesopores in different spatial positions of 1-hexene aromatization catalysts in the reaction process and the influence on metal distribution,as well as their synergistic effect two on the improvement of xylene selectivity,which can improve our understanding of catalyst pore structure and be helpful for the rational design of high-efficient catalyst.展开更多
1.Introduction and context Enormous emphasis is currently being paid to the decarbonization of the global built environment as a leading priority for the engineering community and related industrial sectors[1].One of ...1.Introduction and context Enormous emphasis is currently being paid to the decarbonization of the global built environment as a leading priority for the engineering community and related industrial sectors[1].One of the main contributors to the overall emissions footprint of the built environment-and thus a cornerstone of efforts to achieve decarbonization-is the emissions profile of construction materials during their production and utilization.The cement and concrete sector is the largest-volume contributor to the emissions incurred in meeting the world’s construction material needs and is therefore targeted in the discussion of the deep,rapid decarbonization that must be achieved in order to minimize irreversible damage to the Earth and its ecosystems.展开更多
Molten-alkali etching has been widely used to reveal dislocations in 4H silicon carbide(4H-SiC),which has promoted the identification and statistics of dislocation density in 4H-SiC single crystals.However,the etching...Molten-alkali etching has been widely used to reveal dislocations in 4H silicon carbide(4H-SiC),which has promoted the identification and statistics of dislocation density in 4H-SiC single crystals.However,the etching mechanism of 4H-SiC is limited misunderstood.In this letter,we reveal the anisotropic etching mechanism of the Si face and C face of 4H-SiC by combining molten-KOH etching,X-ray photoelectron spectroscopy(XPS)and first-principles investigations.The activation energies for the molten-KOH etching of the C face and Si face of 4H-SiC are calculated to be 25.09 and 35.75 kcal/mol,respectively.The molten-KOH etching rate of the C face is higher than the Si face.Combining XPS analysis and first-principles calculations,we find that the molten-KOH etching of 4H-SiC is proceeded by the cycling of the oxidation of 4H-SiC by the dissolved oxygen and the removal of oxides by molten KOH.The faster etching rate of the C face is caused by the fact that the oxides on the C face are unstable,and easier to be removed with molten alkali,rather than the C face being easier to be oxidized.展开更多
Chemical leaching of coals would be required to produce cleaner coals for some special applications where physical benefi-ciation may not be effective enough.This would also help in recovering Li and rare earth metals...Chemical leaching of coals would be required to produce cleaner coals for some special applications where physical benefi-ciation may not be effective enough.This would also help in recovering Li and rare earth metals besides in the sequestration of CO_(2).About 20 Indian coals having complexly distributed moderate to high ash contents were sequentially treated with various alkali–acid such as NaOH-HCl,HF,HCl,HCl-HF,and NaOH-HCl-HF leaching.This aimed to establish and design the best stepwise sequential process for the highest degree of demineralisation through a chemical leaching process.Kinetics and process intensification studies were carried out.More than 80%demineralisation of Madhaipur and Neemcha coals was observed using the best sequential treatment designed presently.The repeated stepwise treatment of the alkali and the acid was also studied,which was found to significantly enhance the degree of demineralisation of coals.The integrated process of alkali–acid leaching followed by solvent extraction(Organo-refining)and vice versa of the treated coal was also studied for producing cleaner coals.展开更多
Internal curing agents (ICA) based on super absorbent polymer have poor alkali tolerance and reduce the early strength of concrete.An alkali tolerate internal curing agent (CAA-ICA) was designed and prepared by using ...Internal curing agents (ICA) based on super absorbent polymer have poor alkali tolerance and reduce the early strength of concrete.An alkali tolerate internal curing agent (CAA-ICA) was designed and prepared by using sodium carboxymethyl starch (CMS) with high hydrophilicity,acrylic acid (AA) containing anionic carboxylic group and acrylamide (AM) containing non-ionic amide group as the main raw materials.The results show that the ratio of CAA-ICA alkali absorption solution is higher than that existing ICA,which solves the low water absorption ratio of the ICA in alkali environment.The water absorption ratio of CAA-ICA in saturated Ca(OH)_(2) solution is 95.8 g·g^(-1),and the alkali tolerance coefficient is 3.4.The application of CAA-ICA in cement-based materials can increase the internal relative humidity and miniaturize the pore structure.The compressive strength of mortar increases up to 12.95%at 28 d,which provids a solution to overcome the reduction of the early strength.展开更多
The existence of alkali metals in fl ue gases originating from stationary sources can result in catalyst deactivation in the low-temperature selective catalytic reduction(SCR)of nitrogen oxides(NO_(x)).It is widely ac...The existence of alkali metals in fl ue gases originating from stationary sources can result in catalyst deactivation in the low-temperature selective catalytic reduction(SCR)of nitrogen oxides(NO_(x)).It is widely accepted that alkali metal poisoning causes damage to the acidic sites of catalysts.Therefore,in this study,a series of CoMn catalysts doped with heteropolyacids(HPAs)were prepared using the coprecipitation method.Among these,CoMnHPMo exhibited superior catalytic performance for SCR and over 95%NO_(x) conversion at 150-300.Moreover,it exhibited excellent catalytic activity and stability after alkali poisoning,demonstrating outstanding alkali metal resistance.The characterization indicated that HPMo increased the specifi c surface area of the catalyst,which provided abundant adsorption sites for NO_(x) and NH_(3).Comparing catalysts before and after poisoning,CoMnHPMo enhanced its alkali metal resistance by sacrifi cing Brønsted acid sites to protect its Lewis acid sites.In situ DRIFTS was used to study the reaction pathways of the catalysts.The results showed that CoMnHPMo maintained high NH_(3) adsorption capacity after K poisoning and then reacted rapidly with NO intermediates to ensure that the active sites were not covered.Consequently,SCR performance was ensured even after alkali metal poisoning.In sum-mary,this research proposed a simple method for the design of an alkali-resistant NH_(3)-SCR catalyst with high activity at low temperatures.展开更多
This study focuses on the effect of ultrafine waste glass powder on cement strength,gas permeability and pore structure.Varying contents were considered,with particle sizes ranging from 2 to 20μm.Moreover,alkali acti...This study focuses on the effect of ultrafine waste glass powder on cement strength,gas permeability and pore structure.Varying contents were considered,with particle sizes ranging from 2 to 20μm.Moreover,alkali activation was considered to ameliorate the reactivity and cementitious properties,which were assessed by using scanning electron microscopy(SEM),energy-dispersive X-ray spectroscopy(EDS),and specific surface area pore size distribution analysis.According to the results,without the addition of alkali activators,the performance of glass powder mortar decreases as the amount of glass powder increases,affecting various aspects such as strength and resistance to gas permeability.Only 5%glass powder mortar demonstrated a compressive strength at 60 days higher than that of the control group.However,adding alkali activator(CaO)during hydration ameliorated the hydration environment,increased the alkalinity of the composite system,activated the reactivity of glass powder,and enhanced the interaction of glass powder and pozzolanic reaction.In general,compared to ordinary cement mortar,alkali-activated glass powder mortar produces more hydration products,showcases elevated density,and exhibits improved gas resistance.Furthermore,alkali-activated glass powder mortar demonstrates an improvement in performance across various aspects as the content increases.At a substitution rate of 15%,the glass powder mortar reaches its optimal levels of strength and resistance to gas permeability,with a compressive strength increase ranging from 28.4%to 34%,and a gas permeation rate reduction between 51.8%and 66.7%.展开更多
Three novel acidic polysaccharide fractions(OFPP-1,OFPP-2,OFPP-3)with different m olecular weights(803.7,555.1 and 414.5 k Da)were isolated from the peeled Opuntia dillenii Haw.fruits by alkali-extraction,graded alcoh...Three novel acidic polysaccharide fractions(OFPP-1,OFPP-2,OFPP-3)with different m olecular weights(803.7,555.1 and 414.5 k Da)were isolated from the peeled Opuntia dillenii Haw.fruits by alkali-extraction,graded alcohol precipitation and column chromatography.Structural analysis indicated that OFPPs were pectic polysaccharides consisting of rhamnose,arabinose and galactose residues.The backbone of OFPP-1 consisted of a repeating unit→6-α-D-Galp A-(1→2)-α-L-Rhap-(1→with T-α-D-Galp A-(1→6)-α-D-Galp A-(1→4)-α-D-Glcp-(1→,T-β-D-Xylp-(1→6)-α-D-Galp A-(1→4)-α-D-Glcp-(1→or T-α-D-Galp A-(1→3)-α-L-Araf-(1→as the side chains.The backbone of OFPP-2 consisted of a disaccharide repeating unit→2)-α-L-Rhap-(1→4)-β-D-Galp A-(1→with T-β-L-Araf-(1→as the branches substituted at the O-4 position of→2,4)-α-LRhap-(1→.Whereas the backbone of OFPP-3 was→2,4)-α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-β-L-Araf-(1→or→2,4)-α-L-Rhap-(1→2)-α-L-Rhap-(1→4)-β-D-Galp A-(1→,which was branched at the O-4 position of→2,4)-α-L-Rhap-(1→.Moreover,these three polysaccharide fractions could protect Huh-7 cells against H2O2-induced oxidative stress to different extents by decreasing the MDA content and increasing the SOD,CAT,GSH-Px activities and the GSH level in the Huh-7 cells.These results suggest that OFPPs have the potential to be used as natural antioxidants.展开更多
Nitrogen(N),phosphorus(P)and carbon(C)are essential nutrients for rice growth and development,but the response of nutrient absorption by rice plants to different types of nitrogen fertilizer(N-fertilizer)under saline-...Nitrogen(N),phosphorus(P)and carbon(C)are essential nutrients for rice growth and development,but the response of nutrient absorption by rice plants to different types of nitrogen fertilizer(N-fertilizer)under saline-alkali conditions is unclear.This study conducted a 147-day field-scale experiment to evaluate rice biomass and nutrient absorption capacity with five N-fertilizer applications.The results showed that the biomass.展开更多
AIM:To establish a stable,short-time,low-cost and reliable murine model of meibomian gland dysfunction(MGD).METHODS:A filter paper sheet soaked in 1.0 mol/L sodium hydroxide(NaOH)solution was used to touch the eyelid ...AIM:To establish a stable,short-time,low-cost and reliable murine model of meibomian gland dysfunction(MGD).METHODS:A filter paper sheet soaked in 1.0 mol/L sodium hydroxide(NaOH)solution was used to touch the eyelid margin of C57BL/6J mice for 10s to establish the model.The other eye was left untreated as a control group.Eyelid margin morphological changes and the meibomian glands(MGs)were observed by slit lamp microscopy on days 5 and 10 post-burn.Hematoxylin-eosin(HE)staining and Oil red O staining were adopted in detecting the changes in MGs morphology and lipid deposition.Real-time polymerase chain reaction,Western blot,immunofluorescence staining and immunohistochemical staining were used to detect interleukin(IL)-6,IL-1β,IL-18,tumor necroses factor(TNF)-α,interferon(IFN)-γ,nicotinamide adenine dinucleotide phosphate(NADPH)oxidase 4(NOX4),3-nitroturosine(3-NT),4-hydroxynonenal(4-HNE)and cytokeratin 10(K10)expression changes in MGs.RESULTS:MGs showed plugging of orifice,glandular deficiency,abnormal acinar morphology,ductal dilatation,and lipid deposition after alkali burn.The expressions of IL-6,IL-18,IL-1β,IFN-γ,and TNF-αindicators of inflammation and oxidative stress in MGs tissues were significantly increased.Abnormal keratinization increased in the MG duct.CONCLUSION:A murine model of MGD is established by alkali burn of the eyelid margin that matches the clinical presentation of MGD providing a stable,short-time,lowcost,and reliable MGD model.The new method suggests efficient avenues for future research.展开更多
This study focuses on treating Guadua angustifolia bamboo fibers to enhance their properties for reinforcement applications in composite materials.Chemical(alkali)and physical(dry etching plasma)treatments were used s...This study focuses on treating Guadua angustifolia bamboo fibers to enhance their properties for reinforcement applications in composite materials.Chemical(alkali)and physical(dry etching plasma)treatments were used separately to augment compatibility of Guadua angustifolia fibers with various composite matrices.The influence of these treatments on the fibers’performance,chemical composition,and surface morphology were analyzed.Statistical analysis indicated that alkali treatments reduced the tensile modulus of elasticity and strength of fibers by up to 40%and 20%,respectively,whereas plasma treatments maintain the fibers’mechanical performance.FTIR spectroscopy revealed significant alterations in chemical composition due to alkali treatments,while plasma-treated fibers showed minimal changes.Surface examination through Scanning Electron Microscopy(SEM)revealed post-treatment modifications in both cases;alkali treatments served as a cleanser,eliminating lignin and hemicellulose from the fiber surface,whereas plasma treatments also produce rough surfaces.These results validate the impact of the treatments on the fiber mechanical performance,which opens up possibilities for using Guadua angustifolia fibers as an alternative reinforcement in composite manufacturing.展开更多
Spinel oxide(NiCo_(2)O_(4))has demonstrated great potential to replace noble metal catalysts for the oxidation reaction of air pollutants.To further boost the oxidation ability of such catalysts,in this study,a facile...Spinel oxide(NiCo_(2)O_(4))has demonstrated great potential to replace noble metal catalysts for the oxidation reaction of air pollutants.To further boost the oxidation ability of such catalysts,in this study,a facile surface-engineering strategy wherein NiCo_(2)O_(4) was treated with different alkali solvents was developed.The obtained catalyst(NiCo_(2)O_(4)-OH)showed a higher surface alkalinity and more surface defects compared to the pristine spinel oxide,including enhanced structural distortion as well as promoted oxygen vacancies.The propane oxidation ability of NiCo_(2)O_(4)-OH was greatly enhanced,with a propane conversion rate that was approximately 6.4 times higher than that of pristine NiCo_(2)O_(4) at a reaction temperature 193℃.This work sets a valuable paradigm for the surface modulation of spinel oxide via alkali treatment to ensure a high-performance oxidation catalyst.展开更多
To demonstrate flexible and tandem device applications,a low-temperature Cu_(2)ZnSnSe_(4)(CZTSe)deposition process,combined with efficient alkali doping,was developed.First,high-quality CZTSe films were grown at 480℃...To demonstrate flexible and tandem device applications,a low-temperature Cu_(2)ZnSnSe_(4)(CZTSe)deposition process,combined with efficient alkali doping,was developed.First,high-quality CZTSe films were grown at 480℃by a single co-evaporation,which is applicable to polyimide(PI)substrate.Because of the alkali-free substrate,Na and K alkali doping were systematically studied and optimized to precisely control the alkali distribution in CZTSe.The bulk defect density was significantly reduced by suppression of deep acceptor states after the(NaF+KF)PDTs.Through the low-temperature deposition with(NaF+KF)PDTs,the CZTSe device on glass yields the best efficiency of 8.1%with an improved Voc deficit of 646 mV.The developed deposition technologies have been applied to PI.For the first time,we report the highest efficiency of 6.92%for flexible CZTSe solar cells on PI.Additionally,CZTSe devices were utilized as bottom cells to fabricate four-terminal CZTSe/perovskite tandem cells because of a low bandgap of CZTSe(~1.0 eV)so that the tandem cell yielded an efficiency of 20%.The obtained results show that CZTSe solar cells prepared by a low-temperature process with in-situ alkali doping can be utilized for flexible thin-film solar cells as well as tandem device applications.展开更多
This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studi...This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed.展开更多
Thispaper has investigated the coordination and supramolecular assemblies of alkali metal ions,cucurbit[5]uril(Q[5]),and[CdCl_(4)]^(2-)to confirm whether[CdCl_(4)]^(2-)can produce the“honeycomb effect”,induce coordi...Thispaper has investigated the coordination and supramolecular assemblies of alkali metal ions,cucurbit[5]uril(Q[5]),and[CdCl_(4)]^(2-)to confirm whether[CdCl_(4)]^(2-)can produce the“honeycomb effect”,induce coordination of alkali metal ions to Q[5],and form linear coordination polymers.In this work,the effect of alkali metal ions on the construction of Q[5]-Cd^(2+)ion system under acidic conditions was investigated.Five complexes were successfully obtained by solvent evaporation method.Among the five crystal structures obtained,it can be observed that the presence of[CdCl_(4)]^(2-)did not result in the complexation of alkali metal ions by the Q[5]molecule.Instead,a bowl-like Cd^(2+)@Q[5]complex was formed.Indeed,[CdCl_(4)]^(2-)did not produce the honeycomb effect but led to the formation of Q[5]-based honeycomb frameworks with hexagonal cellsoccupied by[CdCl_(4)]^(2-).The experimental results show that cadmium ion showed stronger ability to coordinate to Q[5]in HCl solution.展开更多
Substitution of lead(Pb)with tin(Sn)is a very important way to reduce the bandgap of metal halide perovskite for applications in solar cells,and near infrared(NIR)light-emitting diodes(LEDs),etc.However,mixed Pb/Sn pe...Substitution of lead(Pb)with tin(Sn)is a very important way to reduce the bandgap of metal halide perovskite for applications in solar cells,and near infrared(NIR)light-emitting diodes(LEDs),etc.However,mixed Pb/Sn perovskite becomes very disordered with high trap density when the Sn molar ratio is less than 20%.This limits the applications of mixed Pb/Sn perovskites in optoelectronic devices such as wavelength tunable NIR perovskite LEDs(Pe LEDs).In this work,we demonstrate that alkali cations doping can release the microstrain and passivate the traps in mixed Pb/Sn perovskites with Sn molar ratios of less than 20%,leading to higher carrier lifetime and photoluminescence quantum yield(PLQY).The external quantum efficiency(EQE)of Sn_(0.2)Pb_(0.8)-based NIR Pe LEDs is dramatically enhanced from 0.1%to a record value of 9.6%(emission wavelength:868 nm).This work provides a way of making high quality mixed Pb/Sn optoelectronic devices with small Sn molar ratios.展开更多
基金Funded by the National Natural Science Foundation of China(Nos.51302256 and 51672260)the Synergetic Innovation Center for Advanced Materials and State Key Laboratory of Silicate Materials for Architectures(Wuhan University of Technology)
文摘Influences of alkali oxides doping on the crystal structure, defects and hydration behavior of tricalcium silicate C_3S were investigated by X-ray powder diffraction with the Rietveld method, inductively coupled plasma optical emission spectroscopy, thermoluminescence and isothermal calorimetry. All the samples were stabilized as T1 form C_3S. Changes in the crystal structure of C_3S could mainly be monitored by changes in lattice parameters, which were closely correlated with the incorporation concentration and substitution types of alkalis. Although alkalis were incorporated at trace level in C_3S, the thermoluminescence and hydration behavior of C_3S were significantly influenced. Initial hydration activity was dramatically increased and highly related to the intensity of the irradiation-induced thermoluminescence peaks at low temperatures due to their direct correlation with defects. The oxygen vacancy sites resulting from the substitution of alkalis for Ca could readily account for the acceleration of the initial hydration of C_3S.
基金supported by the Shanxi Provincial Key Research and Development Project (No. 20201102002)Science Foundation of China University of Petroleum,Beijing (No. 2462020BJRC007, 2462020YXZZ003)+1 种基金State Key Laboratory of Petroleum Resources and Prospecting,China University of Petroleum (No. PRP/DX-2216)Shell Global Solutions。
文摘Chemical loss such as surfactants and alkalis by adsorption to reservoir rock surface is an important issue in enhanced oil recovery(EOR). Here, we investigated the adsorption behaviors of anionic surfactants and alkalis on silica for the first time as a function of temperature using quartz crystal microbalance with dissipation(QCM-D). The results demonstrated that the temperature dependent critical micelle concentration of alcohol alkoxy sulfate(AAS) surfactant can be quantitatively described by the thermodynamics parameters of micellization, showing a mainly entropy-driven process. AAS adsorption was mediated under varying temperature conditions, by divalent cations for bridging effect, monovalent cations competitive for adsorption sites but not giving cation bridging, pH regulation of deprotonated sites of silica, presence of alkoxy groups in the surfactants, and synergistic effect of surfactant coinjection. The addition of organic alkalis can enhance the overall adsorption of the species with AAS,whereas inorganic alkali of Na_(2)CO_(3) had capability of the sequestration of the divalent ions, whose addition would reduce AAS adsorption. The typical AAS adsorption indicated a non-rigid multilayer,estimated to have between 2 and 5 layers, with a likely compact bilayer followed by disorganized and unstable further layering. The new fundamental understanding about temperature effect on surfactants and alkalis adsorption contributes to optimizing the flooding conditions of chemicals and developing more efficient mitigation strategies.
基金supported by the National Natural Science Foundation of China(52162030)the Yunnan Major Scientific and Technological Projects(202202AG050003)+4 种基金the Key Research and Development Program of Yunnan Province(202103AA080019)the Scientific Research Foundation of Kunming University of Science and Technology(20220122)the Graduate Student Top Innovative Talent Program of Kunming University of Science and Technology(CA23107M139A)the Analysis and Testing Foundation of Kunming University of Science and Technology(2023T20220122)the Shenzhen Science and Technology Program(KCXST20221021111201003)。
文摘High-energy density lithium-ion batteries(LIBs)with layered high-nickel oxide cathodes(LiNi_(x)Co_(y)Mn_(1-x-y)O_(2),x≥0.8)show great promise in consumer electronics and vehicular applications.However,LiNi_(x)Co_(y)Mn_(1-x-y)O_(2)faces challenges related to capacity decay caused by residual alkalis owing to high sensitivity to air.To address this issue,we propose a hazardous substances upcycling method that fundamentally mitigates alkali content and concurrently induces the emergence of an anti-air-sensitive layer on the cathode surface.Through the neutralization of polyacrylic acid(PAA)with residual alkalis and then coupling it with 3-aminopropyl triethoxysilane(KH550),a stable and ion-conductive cross-linked polymer layer is in situ integrated into the LiNi_(0.89)Co_(0.06)Mn_(0.05)O_(2)(NCM)cathode.Our characterization and measurements demonstrate its effectiveness.The NCM material exhibits impressive cycling performance,retaining 88.4%of its capacity after 200 cycles at 5 C and achieving an extraordinary specific capacity of 170.0 mA h g^(-1) at 10 C.Importantly,this layer on the NCM efficiently suppresses unfavorable phase transitions,severe electrolyte degradation,and CO_(2)gas evolution,while maintaining commendable resistance to air exposure.This surface modification strategy shows widespread potential for creating air-stable LiNi_(x)Co_(y)Mn_(1-x-y)O_(2)cathodes,thereby advancing high-performance LIBs.
基金jointly supported by the Guangdong Major Project of Basic and Applied Basic Research (2023B0303000002)National Natural Science Foundation of China (22178126,22325802,U22A20417,22208110)+3 种基金Guangdong Basic and Applied Basic Research Foundation (2023B1515120005)Science and Technology Program of Guangzhou (2023B03J1281,2023A04J1357)China Postdoctoral Science Foundation (2023T160223)the State Key Laboratory of Pulp and Paper Engineering (2023ZD03)。
文摘Viologens known as a kind of promising negolyte materials for aqueous organic redox flow batteries,face a critical stability challenge due to the S_N2 nucleophilic attack by hydroxide ions(OH-)during the battery cycling.In this work,a N-cyclic quaternary ammonium-grafted viologen molecule,viz.1,1'-bis(4,4'-dime thylpiperidiniumyl)-4,4'-bipyridinium tetrachloride((DBPPy)Cl_(4)),is developed by the molecular engineering strategy.The obtained(DBPPy)Cl_(4) molecule shows a decent solubility of 1.84 M and a redox potential of-0.52 V vs.Ag/AgCl,Experimental and theoretical results reveal that the grafted N-cyclic quaternary ammonium groups act as the steric hindrance to prevent nucleophilic attack by OH~-,increasing the alkali resistance of the electroactive molecule.The symmetrical battery with 0.50 M(DBPPy)Cl4shows negligible decay during the 13-day cycling test.As demonstration,the flow battery utilizing 1.0 M(DBPPy)Cl_(4) as the negolyte and 1-(1-oxyl-2,2',6,6'-tetramethylpiperidin-4-yl)-1'-(3-(trimethylammonio)propyl)-4,4'-bipyridinium trichloride as the posolyte exhibits a high capacity retention rate of 99.99%per cycle at 60 mA cm^(-2).
基金supported by National Natural Science Foundation of China(22021004).
文摘1-hexene aromatization is a promising technology to convert excess olefin in fluid catalytic cracking(FCC)gasoline to high-value benzene(B),toluene(T),and xylene.Besides,the increasing market demand of xylene has put forward higher requirements for new generation of catalyst.For increasing xylene yield in 1-hexene aromatization,the effect of mesopore structure and spatial distribution on product distribution and Zn loading was studied.Catalysts with different mesopore spatial distribution were prepared by post-treatment of parent HZSM-5 zeolite,including NaOH treatment,tetra-propylammonium hydroxide(TPAOH)treatment,and recrystallization.It was found the evenly distributed mesopore mainly prolongs the catalyst lifetime by enhancing diffusion properties but reduces the aromatics selectivity,as a result of damage of micropores close to the catalyst surface.While the selectivity of high-value xylene can be highly promoted when the mesopore is mainly distributed interior the catalyst.Besides,the state of loaded Zn was also affected by mesopores spatial distribution.On the optimized catalyst,the xylene selectivity was enhanced by 12.4%compared with conventional Zn-loaded parent HZSM-5 catalyst at conversion over 99%.It was attributed to the synergy effect of mesopores spatial distribution and optimized acid properties.This work reveals the role of mesopores in different spatial positions of 1-hexene aromatization catalysts in the reaction process and the influence on metal distribution,as well as their synergistic effect two on the improvement of xylene selectivity,which can improve our understanding of catalyst pore structure and be helpful for the rational design of high-efficient catalyst.
基金funded by the Engineering and Physical Sciences Research Council(EPSRC),UK(EP/S019650/1)funded by EPSRC via an Early Career Fellowship grant(EP/R001642/1)+2 种基金the Transforming Foundation Industries:Network+Towards Value by Innovation(EP/V026402/1)funded by the National Nature Science Foundation of China(U2001225)Fundamental Research Funds for the Central Universities(22120230174 at Tongji University),and Geopoly Fundamental Genomic Research project.
文摘1.Introduction and context Enormous emphasis is currently being paid to the decarbonization of the global built environment as a leading priority for the engineering community and related industrial sectors[1].One of the main contributors to the overall emissions footprint of the built environment-and thus a cornerstone of efforts to achieve decarbonization-is the emissions profile of construction materials during their production and utilization.The cement and concrete sector is the largest-volume contributor to the emissions incurred in meeting the world’s construction material needs and is therefore targeted in the discussion of the deep,rapid decarbonization that must be achieved in order to minimize irreversible damage to the Earth and its ecosystems.
基金This work is supported by the Natural Science Foundation of China(Grant Nos.62274143&62204216)Joint Funds of the Zhejiang Provincial Natural Science Foundation of China(Grant Nos.LHZSD24E020001)+4 种基金the“Pioneer”and“Leading Goose”R&D Program of Zhejiang(Grant Nos.2022C0102&2023C01010)Partial support was provided by the Leading Innovative and Entrepreneur Team Introduction Program of Hangzhou(Grant No.TD2022012)Fundamental Research Funds for the Central Universities(Grant No.226-2022-00200)the Natural Science Foundation of China for Innovative Research Groups(Grant No.61721005)the Open Fund of Zhejiang Provincial Key Laboratory of Wide Bandgap Semiconductors,Hangzhou Global Scientific and Technological Innovation Center,Zhejiang University.
文摘Molten-alkali etching has been widely used to reveal dislocations in 4H silicon carbide(4H-SiC),which has promoted the identification and statistics of dislocation density in 4H-SiC single crystals.However,the etching mechanism of 4H-SiC is limited misunderstood.In this letter,we reveal the anisotropic etching mechanism of the Si face and C face of 4H-SiC by combining molten-KOH etching,X-ray photoelectron spectroscopy(XPS)and first-principles investigations.The activation energies for the molten-KOH etching of the C face and Si face of 4H-SiC are calculated to be 25.09 and 35.75 kcal/mol,respectively.The molten-KOH etching rate of the C face is higher than the Si face.Combining XPS analysis and first-principles calculations,we find that the molten-KOH etching of 4H-SiC is proceeded by the cycling of the oxidation of 4H-SiC by the dissolved oxygen and the removal of oxides by molten KOH.The faster etching rate of the C face is caused by the fact that the oxides on the C face are unstable,and easier to be removed with molten alkali,rather than the C face being easier to be oxidized.
文摘Chemical leaching of coals would be required to produce cleaner coals for some special applications where physical benefi-ciation may not be effective enough.This would also help in recovering Li and rare earth metals besides in the sequestration of CO_(2).About 20 Indian coals having complexly distributed moderate to high ash contents were sequentially treated with various alkali–acid such as NaOH-HCl,HF,HCl,HCl-HF,and NaOH-HCl-HF leaching.This aimed to establish and design the best stepwise sequential process for the highest degree of demineralisation through a chemical leaching process.Kinetics and process intensification studies were carried out.More than 80%demineralisation of Madhaipur and Neemcha coals was observed using the best sequential treatment designed presently.The repeated stepwise treatment of the alkali and the acid was also studied,which was found to significantly enhance the degree of demineralisation of coals.The integrated process of alkali–acid leaching followed by solvent extraction(Organo-refining)and vice versa of the treated coal was also studied for producing cleaner coals.
基金Funded by the National Key Research and Development Program of China (No.2019YFC1906202)the Guangxi Key Research and Development Plan (Nos.Guike AA18242007-3, Guike AB19259008, and Guike AB20297014)。
文摘Internal curing agents (ICA) based on super absorbent polymer have poor alkali tolerance and reduce the early strength of concrete.An alkali tolerate internal curing agent (CAA-ICA) was designed and prepared by using sodium carboxymethyl starch (CMS) with high hydrophilicity,acrylic acid (AA) containing anionic carboxylic group and acrylamide (AM) containing non-ionic amide group as the main raw materials.The results show that the ratio of CAA-ICA alkali absorption solution is higher than that existing ICA,which solves the low water absorption ratio of the ICA in alkali environment.The water absorption ratio of CAA-ICA in saturated Ca(OH)_(2) solution is 95.8 g·g^(-1),and the alkali tolerance coefficient is 3.4.The application of CAA-ICA in cement-based materials can increase the internal relative humidity and miniaturize the pore structure.The compressive strength of mortar increases up to 12.95%at 28 d,which provids a solution to overcome the reduction of the early strength.
基金This work was supported by the National Key R&D Program of China(Nos.2022YFB3504100 and 2022YFB3504102)Natural National Science Foundation of China(No.22276133)+1 种基金Natural National Science Foundation of China(No.U20A20132)Natural National Science Foundation of China(No.52106180).
文摘The existence of alkali metals in fl ue gases originating from stationary sources can result in catalyst deactivation in the low-temperature selective catalytic reduction(SCR)of nitrogen oxides(NO_(x)).It is widely accepted that alkali metal poisoning causes damage to the acidic sites of catalysts.Therefore,in this study,a series of CoMn catalysts doped with heteropolyacids(HPAs)were prepared using the coprecipitation method.Among these,CoMnHPMo exhibited superior catalytic performance for SCR and over 95%NO_(x) conversion at 150-300.Moreover,it exhibited excellent catalytic activity and stability after alkali poisoning,demonstrating outstanding alkali metal resistance.The characterization indicated that HPMo increased the specifi c surface area of the catalyst,which provided abundant adsorption sites for NO_(x) and NH_(3).Comparing catalysts before and after poisoning,CoMnHPMo enhanced its alkali metal resistance by sacrifi cing Brønsted acid sites to protect its Lewis acid sites.In situ DRIFTS was used to study the reaction pathways of the catalysts.The results showed that CoMnHPMo maintained high NH_(3) adsorption capacity after K poisoning and then reacted rapidly with NO intermediates to ensure that the active sites were not covered.Consequently,SCR performance was ensured even after alkali metal poisoning.In sum-mary,this research proposed a simple method for the design of an alkali-resistant NH_(3)-SCR catalyst with high activity at low temperatures.
基金the National Natural Science Foundation of China(No.51709097).
文摘This study focuses on the effect of ultrafine waste glass powder on cement strength,gas permeability and pore structure.Varying contents were considered,with particle sizes ranging from 2 to 20μm.Moreover,alkali activation was considered to ameliorate the reactivity and cementitious properties,which were assessed by using scanning electron microscopy(SEM),energy-dispersive X-ray spectroscopy(EDS),and specific surface area pore size distribution analysis.According to the results,without the addition of alkali activators,the performance of glass powder mortar decreases as the amount of glass powder increases,affecting various aspects such as strength and resistance to gas permeability.Only 5%glass powder mortar demonstrated a compressive strength at 60 days higher than that of the control group.However,adding alkali activator(CaO)during hydration ameliorated the hydration environment,increased the alkalinity of the composite system,activated the reactivity of glass powder,and enhanced the interaction of glass powder and pozzolanic reaction.In general,compared to ordinary cement mortar,alkali-activated glass powder mortar produces more hydration products,showcases elevated density,and exhibits improved gas resistance.Furthermore,alkali-activated glass powder mortar demonstrates an improvement in performance across various aspects as the content increases.At a substitution rate of 15%,the glass powder mortar reaches its optimal levels of strength and resistance to gas permeability,with a compressive strength increase ranging from 28.4%to 34%,and a gas permeation rate reduction between 51.8%and 66.7%.
基金supported by the National Natural Science Foundation of China(No.31972977)。
文摘Three novel acidic polysaccharide fractions(OFPP-1,OFPP-2,OFPP-3)with different m olecular weights(803.7,555.1 and 414.5 k Da)were isolated from the peeled Opuntia dillenii Haw.fruits by alkali-extraction,graded alcohol precipitation and column chromatography.Structural analysis indicated that OFPPs were pectic polysaccharides consisting of rhamnose,arabinose and galactose residues.The backbone of OFPP-1 consisted of a repeating unit→6-α-D-Galp A-(1→2)-α-L-Rhap-(1→with T-α-D-Galp A-(1→6)-α-D-Galp A-(1→4)-α-D-Glcp-(1→,T-β-D-Xylp-(1→6)-α-D-Galp A-(1→4)-α-D-Glcp-(1→or T-α-D-Galp A-(1→3)-α-L-Araf-(1→as the side chains.The backbone of OFPP-2 consisted of a disaccharide repeating unit→2)-α-L-Rhap-(1→4)-β-D-Galp A-(1→with T-β-L-Araf-(1→as the branches substituted at the O-4 position of→2,4)-α-LRhap-(1→.Whereas the backbone of OFPP-3 was→2,4)-α-L-Rhap-(1→2)-α-L-Rhap-(1→3)-β-L-Araf-(1→or→2,4)-α-L-Rhap-(1→2)-α-L-Rhap-(1→4)-β-D-Galp A-(1→,which was branched at the O-4 position of→2,4)-α-L-Rhap-(1→.Moreover,these three polysaccharide fractions could protect Huh-7 cells against H2O2-induced oxidative stress to different extents by decreasing the MDA content and increasing the SOD,CAT,GSH-Px activities and the GSH level in the Huh-7 cells.These results suggest that OFPPs have the potential to be used as natural antioxidants.
基金supported by the Excellent Youth Foundation of Jilin Province,China(Grant No.20230101361JC)the National Natural Science Foundation of China(Grant No.U21A2037)+1 种基金the CAS Interdisciplinary Innovation Team Project(Grant No.JCTD-2020-14)the Youth Innovation Promotion Association,Chinese Academy of Sciences(CAS)(Grant No.Y2021068)。
文摘Nitrogen(N),phosphorus(P)and carbon(C)are essential nutrients for rice growth and development,but the response of nutrient absorption by rice plants to different types of nitrogen fertilizer(N-fertilizer)under saline-alkali conditions is unclear.This study conducted a 147-day field-scale experiment to evaluate rice biomass and nutrient absorption capacity with five N-fertilizer applications.The results showed that the biomass.
基金Supported by the National Natural Science Foundation of China(No.82271054,No.U20A20363).
文摘AIM:To establish a stable,short-time,low-cost and reliable murine model of meibomian gland dysfunction(MGD).METHODS:A filter paper sheet soaked in 1.0 mol/L sodium hydroxide(NaOH)solution was used to touch the eyelid margin of C57BL/6J mice for 10s to establish the model.The other eye was left untreated as a control group.Eyelid margin morphological changes and the meibomian glands(MGs)were observed by slit lamp microscopy on days 5 and 10 post-burn.Hematoxylin-eosin(HE)staining and Oil red O staining were adopted in detecting the changes in MGs morphology and lipid deposition.Real-time polymerase chain reaction,Western blot,immunofluorescence staining and immunohistochemical staining were used to detect interleukin(IL)-6,IL-1β,IL-18,tumor necroses factor(TNF)-α,interferon(IFN)-γ,nicotinamide adenine dinucleotide phosphate(NADPH)oxidase 4(NOX4),3-nitroturosine(3-NT),4-hydroxynonenal(4-HNE)and cytokeratin 10(K10)expression changes in MGs.RESULTS:MGs showed plugging of orifice,glandular deficiency,abnormal acinar morphology,ductal dilatation,and lipid deposition after alkali burn.The expressions of IL-6,IL-18,IL-1β,IFN-γ,and TNF-αindicators of inflammation and oxidative stress in MGs tissues were significantly increased.Abnormal keratinization increased in the MG duct.CONCLUSION:A murine model of MGD is established by alkali burn of the eyelid margin that matches the clinical presentation of MGD providing a stable,short-time,lowcost,and reliable MGD model.The new method suggests efficient avenues for future research.
文摘This study focuses on treating Guadua angustifolia bamboo fibers to enhance their properties for reinforcement applications in composite materials.Chemical(alkali)and physical(dry etching plasma)treatments were used separately to augment compatibility of Guadua angustifolia fibers with various composite matrices.The influence of these treatments on the fibers’performance,chemical composition,and surface morphology were analyzed.Statistical analysis indicated that alkali treatments reduced the tensile modulus of elasticity and strength of fibers by up to 40%and 20%,respectively,whereas plasma treatments maintain the fibers’mechanical performance.FTIR spectroscopy revealed significant alterations in chemical composition due to alkali treatments,while plasma-treated fibers showed minimal changes.Surface examination through Scanning Electron Microscopy(SEM)revealed post-treatment modifications in both cases;alkali treatments served as a cleanser,eliminating lignin and hemicellulose from the fiber surface,whereas plasma treatments also produce rough surfaces.These results validate the impact of the treatments on the fiber mechanical performance,which opens up possibilities for using Guadua angustifolia fibers as an alternative reinforcement in composite manufacturing.
基金financially supported by the National Natural Science Foundation of China(No.22072069)the Key Laboratory of Hubei Province for Coal Conversion and New Carbon Materials(Wuhan University of Science and Technology No.WKDM202303).
文摘Spinel oxide(NiCo_(2)O_(4))has demonstrated great potential to replace noble metal catalysts for the oxidation reaction of air pollutants.To further boost the oxidation ability of such catalysts,in this study,a facile surface-engineering strategy wherein NiCo_(2)O_(4) was treated with different alkali solvents was developed.The obtained catalyst(NiCo_(2)O_(4)-OH)showed a higher surface alkalinity and more surface defects compared to the pristine spinel oxide,including enhanced structural distortion as well as promoted oxygen vacancies.The propane oxidation ability of NiCo_(2)O_(4)-OH was greatly enhanced,with a propane conversion rate that was approximately 6.4 times higher than that of pristine NiCo_(2)O_(4) at a reaction temperature 193℃.This work sets a valuable paradigm for the surface modulation of spinel oxide via alkali treatment to ensure a high-performance oxidation catalyst.
基金financially supported by the Korea Institute of Energy Research(KIER)(grant no.C3-2401,2402,2403)the National Research Foundation(grant no.2022M3J1A1063019)funded by the Ministry of Science and ICT
文摘To demonstrate flexible and tandem device applications,a low-temperature Cu_(2)ZnSnSe_(4)(CZTSe)deposition process,combined with efficient alkali doping,was developed.First,high-quality CZTSe films were grown at 480℃by a single co-evaporation,which is applicable to polyimide(PI)substrate.Because of the alkali-free substrate,Na and K alkali doping were systematically studied and optimized to precisely control the alkali distribution in CZTSe.The bulk defect density was significantly reduced by suppression of deep acceptor states after the(NaF+KF)PDTs.Through the low-temperature deposition with(NaF+KF)PDTs,the CZTSe device on glass yields the best efficiency of 8.1%with an improved Voc deficit of 646 mV.The developed deposition technologies have been applied to PI.For the first time,we report the highest efficiency of 6.92%for flexible CZTSe solar cells on PI.Additionally,CZTSe devices were utilized as bottom cells to fabricate four-terminal CZTSe/perovskite tandem cells because of a low bandgap of CZTSe(~1.0 eV)so that the tandem cell yielded an efficiency of 20%.The obtained results show that CZTSe solar cells prepared by a low-temperature process with in-situ alkali doping can be utilized for flexible thin-film solar cells as well as tandem device applications.
文摘This work is a simulation modelling with the LAMMPS calculation code of an electrode based on alkali metals (lithium, sodium and potassium) using the MEAM potential. For different multiplicities, two models were studied;with and without gap. In this work, we present the structural, physical and chemical properties of the lithium, sodium and potassium electrodes. For the structural properties, the cohesive energy and the mesh parameters were calculated, revealing that, whatever the chemical element selected, the compact hexagonal hcp structure is the most stable, followed by the face-centred cubic CFC structure, and finally the BCC structure. The most stable structure is lithium, with a cohesion energy of -6570 eV, and the lowest bcc-hcp transition energy of -0.553 eV/atom, followed by sodium. For physical properties, kinetic and potential energies were calculated for each of the sectioned chemical elements, with lithium achieving the highest value. Finally, for the chemical properties, we studied the diffusion coefficient and the activation energy. Only potassium followed an opposite order to the other two, with the quantities with lacunae being greater than those without lacunae, whatever the multiplicity. The order of magnitude of the diffusion coefficients is given by the relationship D<sub>Li</sub> > D<sub>Na</sub> > D<sub>k</sub> for the multiplicity 6*6*6, while for the activation energy the order is reversed.
文摘Thispaper has investigated the coordination and supramolecular assemblies of alkali metal ions,cucurbit[5]uril(Q[5]),and[CdCl_(4)]^(2-)to confirm whether[CdCl_(4)]^(2-)can produce the“honeycomb effect”,induce coordination of alkali metal ions to Q[5],and form linear coordination polymers.In this work,the effect of alkali metal ions on the construction of Q[5]-Cd^(2+)ion system under acidic conditions was investigated.Five complexes were successfully obtained by solvent evaporation method.Among the five crystal structures obtained,it can be observed that the presence of[CdCl_(4)]^(2-)did not result in the complexation of alkali metal ions by the Q[5]molecule.Instead,a bowl-like Cd^(2+)@Q[5]complex was formed.Indeed,[CdCl_(4)]^(2-)did not produce the honeycomb effect but led to the formation of Q[5]-based honeycomb frameworks with hexagonal cellsoccupied by[CdCl_(4)]^(2-).The experimental results show that cadmium ion showed stronger ability to coordinate to Q[5]in HCl solution.
基金the financial support of the National Natural Science Foundation of China(51872161)Major Program of Shandong Provincial Natural Science Foundation(ZR2017ZB0316)+3 种基金the financial support of the National Natural Science Foundation of China(51872274)the Fundamental Research Funds for the Central Universities(WK2060190100)the National Key Research and Development Program of China(2017YFA0206600)the National Natural Science Foundation of China(51773045,21772030,51922032,and 21961160720)for financial support。
文摘Substitution of lead(Pb)with tin(Sn)is a very important way to reduce the bandgap of metal halide perovskite for applications in solar cells,and near infrared(NIR)light-emitting diodes(LEDs),etc.However,mixed Pb/Sn perovskite becomes very disordered with high trap density when the Sn molar ratio is less than 20%.This limits the applications of mixed Pb/Sn perovskites in optoelectronic devices such as wavelength tunable NIR perovskite LEDs(Pe LEDs).In this work,we demonstrate that alkali cations doping can release the microstrain and passivate the traps in mixed Pb/Sn perovskites with Sn molar ratios of less than 20%,leading to higher carrier lifetime and photoluminescence quantum yield(PLQY).The external quantum efficiency(EQE)of Sn_(0.2)Pb_(0.8)-based NIR Pe LEDs is dramatically enhanced from 0.1%to a record value of 9.6%(emission wavelength:868 nm).This work provides a way of making high quality mixed Pb/Sn optoelectronic devices with small Sn molar ratios.