Metal ion-imprintedly crosslinked chitosan resin 1 and resin 2 were prepared by theuse of Cu2+ and Ni2+ as template ions and glutaraldehyde as crosslinking agent, respectively.Through investigation on the adsorption c...Metal ion-imprintedly crosslinked chitosan resin 1 and resin 2 were prepared by theuse of Cu2+ and Ni2+ as template ions and glutaraldehyde as crosslinking agent, respectively.Through investigation on the adsorption capacities and binding constants for Cu2+, Ni2+andCo2+ ions on chitosan resins, resin 1 and resin 2 exhibit the adsorption selectivity for themixture solution of 1:1 Cu2+ and Ni2+ ions. The adsorption selectivity of metal ion-imprintedresins for their template ions is much higher than that of uncrosslinked chitosan resin.展开更多
We report a robust pillar-layered metal-organic framework,Zn‑tfbdc‑dabco(tfbdc:tetrafluoroterephthal-ate,dabco:1,4-diazabicyclo[2.2.2]octane),featuring the fluorinated pore environment,for the preferential binding of ...We report a robust pillar-layered metal-organic framework,Zn‑tfbdc‑dabco(tfbdc:tetrafluoroterephthal-ate,dabco:1,4-diazabicyclo[2.2.2]octane),featuring the fluorinated pore environment,for the preferential binding of propane over propylene and thus highly inverse selective separation of propane/propylene mixture.The inverse propane-selective performance of Zn‑tfbdc‑dabco for the propane/propylene separation was validated by single-component gas adsorption isotherms,isosteric enthalpy of adsorption calculations,ideal adsorbed solution theory calculations,along with the breakthrough experiment.The customized fluorinated networks served as a propane-trap to form more interactions with the exposed hydrogen atoms of propane,as unveiled by the simulation studies at the molecular level.With the advantage of inverse propane-selective adsorption behavior,high adsorption capacity,good cycling stability,and low isosteric enthalpy of adsorption,Zn‑tfbdc‑dabco can be a promising candidate adsorbent for the challenging propane/propylene separation to realize one-step purification of the target propylene substance.展开更多
Both bottle-point and column-feeding experi-ments involving different solutes and sorbents were carried out to investigate the adsorption selectivity and separation performance of salicylic acid and 5-sulfosalicylic a...Both bottle-point and column-feeding experi-ments involving different solutes and sorbents were carried out to investigate the adsorption selectivity and separation performance of salicylic acid and 5-sulfosalicylic acid.Their adsorption isotherms onto such hypercrosslinked polymeric adsorbents as NDA-100 and NDA-99 could be well described by the Freundlich equations whose characteristics describe extrathermic and favorable adsorption processes.The adsorp-tion towards NDA-100 mainly depended on the p-p interac-tion,while that towards NDA-99 was extremely influenced by the static-electric interaction.Additionally,the adsorptive capacity of salicylic acid on NDA-99 decreased while it increased on NDA-100 with the presence of 5-sulfosalicylic acid in the adsorptive environment as the competitive component.Comparatively,the adsorption capacity of 5-sulfosalicylic acid decreased on both resins with salicylic acid as the competitive component.In fact,the difference in the interaction between adsorbent and adsorbate resulted in the straight antagonism on the effective adsorption sites on the adsorbent.In conclusion,the adsorption selectivity of salicylic acid onto NDA-100 was obviously larger than that onto NDA-99 with the existence of 5-sulfosalicylic acid in the adsorptive environment.A satisfactory separation and recovery of tested solutes in aqueous phase could be foresee-ably achieved by the sequencing adsorption technique involving NDA-100 as well as NDA-99.展开更多
In this work,a novel composite material based on β-cyclodextrin-immobilized sodium alginate aerogel(β-CD/NaAlg) was developed utilizing cross-linker of epichlorohydrin and applied as an adsorbent to remove tetracycl...In this work,a novel composite material based on β-cyclodextrin-immobilized sodium alginate aerogel(β-CD/NaAlg) was developed utilizing cross-linker of epichlorohydrin and applied as an adsorbent to remove tetracycline antibiotics from reclaimed wastewater.A series of characterizations were utilized to confirm the successful synthesis of the adsorbent and this β-CD/NaAlg presented a three-dimensional network at the nanoscale or microscale.Under optimal conditions(pH=4,t=8 h,β-CD:NaAlg=9,adsorbent dosage = 1.5 g·L-1),the maximum removal rate of β-CD/NaAlg to tetracycline was 70%.The adsorption behavior of tetracycline on β-CD/NaAlg conformed to the Freundlich isotherm model(R2=0.9977) and the pseudo-second-order kinetic model(R^(2)=0.9993).Moreover,the adsorbent still removed 55.3% of tetracycline after five cycles.Specially,the adsorbent was integrated with ultrafiltration to adsorb tetracycline antibiotics from simulated reclaimed wastewater,and the removal rate of tetracycline reached 78.9% within 2 h.The existence of Cr(Ⅵ) had a negligible impact on tetracycline removal,while the presence of humic acid exhibited a promoting effect.The possible adsorption mechanisms were also elucidated through X-ray photoelectron spectroscopy and density functional theory analysis.In summary,β-CD/NaAlg represents an environmentally friendly,efficient,and sustainable adsorbent for removing tetracycline antibiotics from reclaimed water.展开更多
Herein,we constructed defective UiO-66 with rich Zr vacancy structure model,in which the defective structure was verified by various characterizations.Also,the Pb adsorption experiments affirmed that defective UiO-66 ...Herein,we constructed defective UiO-66 with rich Zr vacancy structure model,in which the defective structure was verified by various characterizations.Also,the Pb adsorption experiments affirmed that defective UiO-66 could display better adsorption and selective adsorption ability than that of perfect UiO-66.The results of partial density of states(PDOS)and Mulliken charge population indicated that the blue shift of O 2p and Zr 4d orbit induced the electron rearrangement of atoms closed to the bonding sites,while the positive charge number of Zr atoms decreased than before.Combining with the expansion of pore size,Pb atom was more inclined to transfer and bond with unsaturated coordination oxygens.More significantly,quantitative structure-activity relationships(QSARs)demonstrated that selective capture of Pb instead of Zn,Cu,Cd and Hg displayed by defective UiO-66 was determined jointly by bond strength,adsorption energy and electron transfer.This work provided some theoretical direction for the purpose of the fabrication of adsorbent and the investigation of mechanism.展开更多
The utilization of ethane-selective materials for adsorption-based separation technology presents an energy-efficient alternative to cryogenic distillation for ethylene(C_(2)H_(4))purification from ethane(C_(2)H_(6))....The utilization of ethane-selective materials for adsorption-based separation technology presents an energy-efficient alternative to cryogenic distillation for ethylene(C_(2)H_(4))purification from ethane(C_(2)H_(6)).To study the relations between separation performance and pore environments,we carried out the isoreticular chemistry rule to introduce the-NH_(2)groups into a C_(2)H_(6)-selective MOF[Cu_(1.5)(BTC)(DPU)_(1.5)(H_(2)O)_(1.5)],and successfully improved the adsorption capacity and selectivity for C_(2)H_(6)over C_(2)H_(4).The NH_(2)-functionalized MOF[Cu_(1.5)(NH_(2)-BTC)(DPU)_(1.5)(H_(2)O)_(1.5)]with a relatively narrow pore not only forms appropriate pore restriction but also provides additional binding sites to enhance the adsorption capacity of C_(2)H_(6)relative to C_(2)H_(4).Both gas adsorption and dynamic breakthrough results indicated that the-NH_(2)functionalization significantly enhanced the separation performance of materials for C_(2)H_(6)/C_(2)H_(4)mixtures,allowing the production of C_(2)H_(4)with a purity of over 99.99%and a productivity of up to 30.02 L/kg in one step.Theoretical calculations revealed that the synergistic effect of appropriate pore confinement and NH_(2)-modified functional surfaces imposed stronger interactions on C_(2)H_(6)than C_(2)H_(4).展开更多
Due to the similar physicochemical properties of acetylene(C_(2)H_(2))and carbon dioxide(CO_(2)),separating C_(2)H_(2)from a CO_(2)/C_(2)H_(2)mixture poses a significant challenge in the petrochemical industry.Herein,...Due to the similar physicochemical properties of acetylene(C_(2)H_(2))and carbon dioxide(CO_(2)),separating C_(2)H_(2)from a CO_(2)/C_(2)H_(2)mixture poses a significant challenge in the petrochemical industry.Herein,we successfully synthesized a novel SiF_(6)^(2) anion pillared cage metal-organic framework ZNU-15 possessing a new crs topological structure for the selective capture of C_(2)H_(2).As a linear bidentate linker,the fluorinated SiF_(6)^(2) anion partitions the pores into various sized cages.ZNU-15 displays moderate adsorption for C_(2)H_(2)with a capacity of 36.0 cm^(3)g^(-1)at 298 K and 1 bar,which is 2.7 times higher than the CO_(2)uptake.The IAST selectivity of C_(2)H_(2)/CO_(2)for ZNU-15 at 298 K and 100 kPa is 10.5,surpassing that of most reported materials.The Qst values for C_(2)H_(2)and CO_(2)at zero coverage are 54.0 and 42.8 kJ mol^(-1),respectively.Moreover,breakthrough experimental tests show that ZNU-15 is capable of effectively separating C_(2)H_(2)from a C_(2)H_(2)/CO_(2)mixture.Theoretical calculations further indicate that C_(2)H_(2)is preferentially trapped by the small cage with four cooperative hydrogen bonds.展开更多
A novel porous coordination polymer,iron naphthalenedicarboxylate Fe（OH）（1,4-NDC）·2H2O is hydrothermally synthesized by the reaction of FeSO4·7H2O and 1,4-naphthalenedicarboxylic acid（1,4-H2NDC） at 150...A novel porous coordination polymer,iron naphthalenedicarboxylate Fe（OH）（1,4-NDC）·2H2O is hydrothermally synthesized by the reaction of FeSO4·7H2O and 1,4-naphthalenedicarboxylic acid（1,4-H2NDC） at 150℃.The compound crystallizes in a tetragonal space group P42/nmc：a=2.1447（4） nm,c=0.68849（14） nm,V=3.1669（11） nm3,Z=8,R=0.0845,wR=0.1829.The crystal structure exhibits a three-dimensional framework which is composed of infinite chains of corner-sharing octahedral Fe（OH）2O4 with 1,4-NDC ligands forming two types of channels with square-shaped cross-sections.The large channels present a cross-section of 0.76 nm×0.76 nm,while the small channels are about 0.30 nm×0.30 nm.No structural transformation occurs after removing the vip water molecules,while a robust structure generates with permanent porosity.The adsorption measurements show that the anhydrous sample of the compound can adsorb CO2 into its pores.The adsorption isotherms for methanol,acetone,tetrahydrofuran and benzene are also measured.展开更多
The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to b...The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to be reasonable by comparing the simulated results with the experimental data. Grand Canonical Monte Carlo(GCMC)simulations were then carried out to investigate the single and binary component adsorption of CO_2 and CH_4with the built bituminous coal model. For the single component adsorption, the isosteric heat of CO_2 adsorption is greater than that of CH_4 adsorption. CO_2 also exhibits stronger electrostatic interactions with the heteroatom groups in the bituminous coal model compared with CH_4, which can account for the larger adsorption capacity of CO_2 in the bituminous coal model. In the case of binary adsorption of CO_2 and CH_4mixtures, CO_2 exhibits the preferential adsorption compared with CH_4 under the studied conditions. The adsorption selectivity of CO_2 exhibited obvious change with increasing pressure. At lower pressure, the adsorption selectivity of CO_2 shows a rapid decrease with increasing the temperature, whereas it becomes insensitive to temperature at higher pressure. Additionally, the adsorption selectivity of CO_2 decreases gradually with the increase of the bulk CO_2 mole fraction and the depth of CO_2 injection site.展开更多
A novel,porous and doubly interpenetrated MOF（FJU-29） was synthesized and characterized by FT-IR,TGA and X-ray single-crystal/powder diffraction.FJU-29 crystallizes in monoclinic,space group C2/c with a = 22.2890（7...A novel,porous and doubly interpenetrated MOF（FJU-29） was synthesized and characterized by FT-IR,TGA and X-ray single-crystal/powder diffraction.FJU-29 crystallizes in monoclinic,space group C2/c with a = 22.2890（7）,b = 10.9175（2）,c = 21.5601（7） ？,β = 112.908（4）o,V = 4832.7（3） ？~3,Z = 8,Mr = 450.26,D_c = 1.238 g/cm^3,F（000） = 1832,μ（CuKα） = 5.885 mm^（-1）,R = 0.0585 and wR = 0.1544 for 4789 observed reflections（I 〉 2s（I））,and R = 0.0726 and wR = 0.1627 for all data.FJU-29 possesses paddle-wheel {Co_2（COO）_4} clusters bridged by bi-pyrazolate naphthalene diimide ligands（H_2NDI） and H_2BDC to from a 3D framework with a pcu-topology.The desolvated FJU-29a shows the BET surface area of 560.44 m^2·g^（-1） accompanies with discriminating uptakes in CO_2 and N_2.The adsorption selectivity determined by ideal adsorbed solution theory（IAST） indicated that FJU-29 a has high CO_2/N_2（18/85） selectivity（75.5） at 296 K and 100 kPa.The relatively high selectivity further implies that FJU-29 a is a potential material for practical flue gas purification.展开更多
The adsorption of aniline, N-methylaniline and N,N-dimethylaniline onto carboxyl resin in Cu2+ form from water, ethanol and n-hexane have been studied. The results show that the adsorption affinities from n-hexane are...The adsorption of aniline, N-methylaniline and N,N-dimethylaniline onto carboxyl resin in Cu2+ form from water, ethanol and n-hexane have been studied. The results show that the adsorption affinities from n-hexane are higher than that from water, and nearly zero from ethanol. The separation factors for the adsorption of these three amines from mixed solution were also examined. The results of continuous column operations show that the breakthrough capacity of aniline from n-hexane reaches 90 mg/g dry resin in Cu2+ form, and the amines adsorbed can be stripped with anhydrous ethanol effectively. Adsorption onto carboxyl resin in Cu2+ form from non-aqueous medium and desorption with anhydrous eluant can overcome the run-off of Cu2+ from the resin, and would show potential advantages in the separation of some water-insoluble natural products.展开更多
Five microporous MOFs were synthesized and their static adsorption properties for light hydrocarbons were experimentally investigated at 298 K and 150 kPa.Among the five MOFs,HKUST-1 and Ni(bdc)(ted)0.5 exhibited much...Five microporous MOFs were synthesized and their static adsorption properties for light hydrocarbons were experimentally investigated at 298 K and 150 kPa.Among the five MOFs,HKUST-1 and Ni(bdc)(ted)0.5 exhibited much higher uptakes of ethane and propane than PCN-250,UiO-66,and ZIF-8.Breakthrough experiments were carried out at 298 K and atmospheric pressure on HKUST-1 and two commercially used adsorbents.HKUST-1 exhibited a much lower dynamic than static adsorption capacity.Moreover,HKUST-1 and the two traditional adsorbents could effectively separate binary(ethane/propane)and ternary(ethane/propane/toluene)mixtures.展开更多
Ordered porous silica nanospheres with pores vertical to the walls were prepared by using 1,3,5-trimethyl-benzen(TMB)and hexadecitrile trimethyl ammonium bromide(CTAB)as templates.After removing the templates,porous s...Ordered porous silica nanospheres with pores vertical to the walls were prepared by using 1,3,5-trimethyl-benzen(TMB)and hexadecitrile trimethyl ammonium bromide(CTAB)as templates.After removing the templates,porous structures were obtained.The porous silica nanosperes were further modified with amino and amino acid functionalization to obtain L-Glutamic acid-functionalized mesoporous silica nanospheres,which were used as chiral selective agents for amino acid enantioseparation such as PheCOOH,PhgCOOH,and TrpCOOH enantiomers.The experimental results show that the functionalized nanospheres have good adsorption selectivity for D-PheCOOH and L-PhgCOOH,especially showing high adsorption selectivity for the L-TrpCOOH enantiomers compared with L-PheCOOH and D-PhgCOOH and D-TrpCOOH enantiomers.展开更多
Selective perchlorate(ClO_(4)^(−))removal from surface water is a pressing need due to the stringent perchlorate drinking water limits around the world.Herein,we anchored N^(+)–C–H hydrogen bond donors in hydrophobi...Selective perchlorate(ClO_(4)^(−))removal from surface water is a pressing need due to the stringent perchlorate drinking water limits around the world.Herein,we anchored N^(+)–C–H hydrogen bond donors in hydrophobic cavities via interactions of cationic surfactants with montmorillonite to prioritize perchlorate bonding.The prepared adsorbent exhibited high selectivity over commonly occurring competing anions,including SO_(4)^(2−),NO_(3)^(−),PO_(4)^(3−),HCO_(3)^(−),and halide anions.High adsorption capacity,fast adsorption kinetics,and excellent regeneration ability(removal efficiency≥80%after 20 cycles)were confirmed via batch experiments.Unconventional CH···O hydrogen bonding was verified as the primary driving force for perchlorate adsorption,which relies on the higher bond energy(∼80 kcal·mol−1)than conventional bonding.The removal efficiency of anions followed the order of the Hofmeister Series,demonstrating the importance of hydrophobic cavities formed by the tail groups of cationic surfactants.The hydrophobic cavities sheltered the C–H bonds from interacting with anions of low hydration energy(e.g.,perchlorate).Furthermore,a fixed-bed column test demonstrated that about 2900 bed volumes of the feeding streams(∼500μg·L^(−1))can be treated to≤70μg·L^(−1),with an enrichment factor of 10.3.Overall,on the basis of the hydrophobicity-induced hydrogen bonding mechanism,a series of low-cost adsorbents can be synthesized and applied for specific perchlorate removal.展开更多
A novel silica-supported tert-butyl 2-picolyamino-N-acetate chelating resin (Si-AMPY-1) was successfully synthesized and characterized by elemental analysis, FT-IR, SEM and 13 C CP/MAS NMR. The adsorption behaviors of...A novel silica-supported tert-butyl 2-picolyamino-N-acetate chelating resin (Si-AMPY-1) was successfully synthesized and characterized by elemental analysis, FT-IR, SEM and 13 C CP/MAS NMR. The adsorption behaviors of the Si-AMPY-1 resin for Cu(Ⅱ) and Ni(Ⅱ) were studied with batch and column methods. The batch experiments indicated that the Si-AMPY-1 resin adsorbed Ni(Ⅱ) mainly via physisorption, while adsorbed Cu(II) via chemisorption. The column dynamic breakthrough curves revealed thatthe Si-AMPY-1 resin can efficiently separate Cu(Ⅱ) from the simulated nickel electrolyte before the breakthrough point. Moreover, the concentration of Cu(Ⅱ) in the column effluent was decreased to be less than 3 mg/L within the first 43 BV (bed volumes), and the mass ratio of Cu/Ni was 21:1 in the saturated resin, which completely satisfied the industrial requirements of the nickel electrorefining process. Therefore, it was concluded that the Si-AMPY-1 resin can be a promising candidate for the deep removal of Cu(Ⅱ) from the nickel electrolyte.展开更多
A novel Ni（Ⅱ） ion-imprinted silica gel polymer was prepared via the surface imprinting technique combined with aqueous solution polymerization by using 2-acrylamido-2-methyl-1-propanesulfonic acid（AMPS） as a func...A novel Ni（Ⅱ） ion-imprinted silica gel polymer was prepared via the surface imprinting technique combined with aqueous solution polymerization by using 2-acrylamido-2-methyl-1-propanesulfonic acid（AMPS） as a functional monomer for the selective separation of Ni（Ⅱ） from aqueous solution. The sorbent showed good chemical and thermal stability. Kinetics studies indicated that the equilibrium adsorption was achieved within 10 min and the adsorption kinetics fitted well with the pseudo-second-order kinetic model. The maximum adsorption capacity of the ion-imprinted polymer towards Ni（Ⅱ） at the optimal p H of 7.0 was 66.22 mg·g^（-1）. The relative selectivity coefficients of the sorbent were 9.23, 15.71, 14.72 and 20.15 for Ni（Ⅱ）/Co（Ⅱ）, Ni（Ⅱ）/Cu（Ⅱ）, Ni（Ⅱ）/Zn（Ⅱ） and Ni（Ⅱ）/Pb（Ⅱ）, respectively. The adsorption isotherm fitted well with Langmuir isotherm model. The thermodynamic results indicated that the adsorption of Ni（Ⅱ） was a spontaneous and endothermic process. The sorbent showed good reusability evidenced by six cycles of adsorption/desorption experiments. The precision of this method is satisfactory. Thus, the prepared sorbent can be considered as a promising sorbent for selective separation of Ni（Ⅱ） in real water samples.展开更多
Achieving efficient adsorption and desorption processes by controllably tuning the properties of adsorbents at different technical stages is extremely attractive.However,it is difficult for traditional adsorbents to r...Achieving efficient adsorption and desorption processes by controllably tuning the properties of adsorbents at different technical stages is extremely attractive.However,it is difficult for traditional adsorbents to reach the target because of their fixed active sites.Herein,we report on the fabrication of a smart adsorbent,which was achieved by introducing photoresponsive azobenzene derivatives with cis/trans isomers to Ce-doped mesoporous silica.These photoresponsive groups serve as “molecular switches”by sheltering and exposing active sites,leading to efficient adsorption and desorption.Ce is also doped to provide additional active sites in order to enhance the adsorption performance.The results show that the cis isomers effectively shelter the active sites,leading to the selective adsorption of methylene blue(MB)over brilliant blue(BB),while the trans isomers completely expose the active sites,resulting in the convenient release of the adsorbates.Both selective adsorption and efficient desorption can be realized controllably by these smart adsorbents through photostimulation.Moreover,the performance of the obtained materials is well maintained after five cycles.展开更多
The flotation performances of styrene phosphonic acid（SPA） to synthetic（Ce,La）2O3（REO）, calcium fluorite（CaF2） and fluorapatite（Ca5F（PO4）3） were investigated by flotation tests, flotation of synthetic mixe...The flotation performances of styrene phosphonic acid（SPA） to synthetic（Ce,La）2O3（REO）, calcium fluorite（CaF2） and fluorapatite（Ca5F（PO4）3） were investigated by flotation tests, flotation of synthetic mixed mineral, the surface adsorption capacity and the polarizing microscopy to solve the flotation separation problem of rare earth oxides from roasted concentrate. The flotation test results indicated that compared with CaF2 and Ca5F（PO4）3, SPA exhibited superior collecting performance to direct flotation recovery of REO and floated out above 90% REO at pH 3–6. However, the collecting ability of SPA to CaF2 and Ca5F（PO4）3 was extremely weak and the highest recovery was only 20% at pH 2–11. The flotation of synthetic mixed mineral showed that SPA was a good collector reagent for flotation of synthetic REO at pH 5, so REO, CaF2 and Ca5F（PO4）3 could be separated from roasted concentrate by using SPA as a collector. The surface adsorption capacity tests and polarizing microscopy results confirmed that SPA was adsorbed on REO surface, while CaF2 and Ca5F（PO4）3 were not. The adsorption mechanism of SPA to synthetic REO was studied by solution chemistry analysis of collector, the ζ-potential tests, infrared spectroscopy and X-ray photoelectron spectroscopy（XPS） analyses. The results indicated that SPA was physically adsorbed onto REO surface, which exhibited excellent flotation selectivity to REO against CaF2 and Ca5F（PO4）3.展开更多
Surface modification offers an alternative strategy to improve both ageing resistance and electrochemical performance of cathode materials for lithium-ion batteries.From the viewpoint of real application,surface modif...Surface modification offers an alternative strategy to improve both ageing resistance and electrochemical performance of cathode materials for lithium-ion batteries.From the viewpoint of real application,surface modification of the cathode materials should be designed with scientificity,effectiveness,low cost,less Li+leaching,and remained tap density.In this contribution,a selective adsorption-involved in-situ growth of polyaniline(PANI)nanoparticles on LiNi_(0.5)Mn_(0.3)Co_(0.2)O_(2)(NMC532)has been designed through a room-temperature-and-pressure chemical vapor deposition technique.The selective growth of PANTI on NMC532 is based on theoretical computation results that multivalent Ni,Mn,and Co are capable of specifically conjugating and activating aniline molecules and,hence,initiating in-situ oxidation polymerization.With only trace amount of aniline monomer,the resulting PANI nanoparticles-inlaid NMC532 microparticles can endure four-month ageing in ambient atmosphere and exhibit improved electrochemical performance at both room temperature and 55℃ compared with pristine NMC532.The improved electrochemical performance of NMC532/PANI is attributed to the enhanced structural stability of NMC532 and inhibited side reactions related to Li_(2)CO_(3) formation,PVDF degradation,electrolyte decomposition,and transition-metal dissolution,owing to PANI modification.展开更多
In the field of volatile organic compounds(VOCs)pollution control,adsorption is one of the major control methods,and effective adsorbents are desired in this technology.In this work,the density functional theory(DFT)c...In the field of volatile organic compounds(VOCs)pollution control,adsorption is one of the major control methods,and effective adsorbents are desired in this technology.In this work,the density functional theory(DFT)calculations are employed to investigate the adsorption of typical VOCs molecules on the two-dimensional material borophenes.The results demonstrate that both structure ofχBorophene;2D material;Volatile organic compounds(VOCs);Selective adsorption;Electronic structure andβ12 borophene can chemically adsorb ethylene and formaldehyde with forming chemical bonds and releasing large energy.However,other VOCs,including ethane,methanol,formic acid,methyl chloride,benzene and toluene,are physically adsorbed with weak interaction.The analysis of density of states(DOS)reveals that the chemical adsorption changes the conductivity of borophenes,while the physical adsorption has no distinct effect on the conductivity.Therefore,bothχ^(3)andβ_(12) borophene are appropriate adsorbents for selective adsorption of ethylene and formaldehyde,and they also have potential in gas sensor applications due to the obvious conductivity change during the adsorption.展开更多
文摘Metal ion-imprintedly crosslinked chitosan resin 1 and resin 2 were prepared by theuse of Cu2+ and Ni2+ as template ions and glutaraldehyde as crosslinking agent, respectively.Through investigation on the adsorption capacities and binding constants for Cu2+, Ni2+andCo2+ ions on chitosan resins, resin 1 and resin 2 exhibit the adsorption selectivity for themixture solution of 1:1 Cu2+ and Ni2+ ions. The adsorption selectivity of metal ion-imprintedresins for their template ions is much higher than that of uncrosslinked chitosan resin.
文摘We report a robust pillar-layered metal-organic framework,Zn‑tfbdc‑dabco(tfbdc:tetrafluoroterephthal-ate,dabco:1,4-diazabicyclo[2.2.2]octane),featuring the fluorinated pore environment,for the preferential binding of propane over propylene and thus highly inverse selective separation of propane/propylene mixture.The inverse propane-selective performance of Zn‑tfbdc‑dabco for the propane/propylene separation was validated by single-component gas adsorption isotherms,isosteric enthalpy of adsorption calculations,ideal adsorbed solution theory calculations,along with the breakthrough experiment.The customized fluorinated networks served as a propane-trap to form more interactions with the exposed hydrogen atoms of propane,as unveiled by the simulation studies at the molecular level.With the advantage of inverse propane-selective adsorption behavior,high adsorption capacity,good cycling stability,and low isosteric enthalpy of adsorption,Zn‑tfbdc‑dabco can be a promising candidate adsorbent for the challenging propane/propylene separation to realize one-step purification of the target propylene substance.
基金The work was supported by the Opening Fund of Key Laboratory of Environmental Engineering of Jiangsu Province,China(Grant No.KF0502)by the Opening Fund of Jiangsu Provincial Key Laboratory of Coastal Wetland Bioresources and Environmental Protection(Grant No.JLCBE05005).
文摘Both bottle-point and column-feeding experi-ments involving different solutes and sorbents were carried out to investigate the adsorption selectivity and separation performance of salicylic acid and 5-sulfosalicylic acid.Their adsorption isotherms onto such hypercrosslinked polymeric adsorbents as NDA-100 and NDA-99 could be well described by the Freundlich equations whose characteristics describe extrathermic and favorable adsorption processes.The adsorp-tion towards NDA-100 mainly depended on the p-p interac-tion,while that towards NDA-99 was extremely influenced by the static-electric interaction.Additionally,the adsorptive capacity of salicylic acid on NDA-99 decreased while it increased on NDA-100 with the presence of 5-sulfosalicylic acid in the adsorptive environment as the competitive component.Comparatively,the adsorption capacity of 5-sulfosalicylic acid decreased on both resins with salicylic acid as the competitive component.In fact,the difference in the interaction between adsorbent and adsorbate resulted in the straight antagonism on the effective adsorption sites on the adsorbent.In conclusion,the adsorption selectivity of salicylic acid onto NDA-100 was obviously larger than that onto NDA-99 with the existence of 5-sulfosalicylic acid in the adsorptive environment.A satisfactory separation and recovery of tested solutes in aqueous phase could be foresee-ably achieved by the sequencing adsorption technique involving NDA-100 as well as NDA-99.
基金supported by the National Key Research and Development Program of China(2022YFC3801101)National Natural Science Foundation of China(52170028)+1 种基金the State Key Laboratory of Urban Water Resource and Environment,Harbin Institute of Technology(2023DX11)National Engineering Research Center for Safe Sludge Disposal and Resource Recovery(2021A003).
文摘In this work,a novel composite material based on β-cyclodextrin-immobilized sodium alginate aerogel(β-CD/NaAlg) was developed utilizing cross-linker of epichlorohydrin and applied as an adsorbent to remove tetracycline antibiotics from reclaimed wastewater.A series of characterizations were utilized to confirm the successful synthesis of the adsorbent and this β-CD/NaAlg presented a three-dimensional network at the nanoscale or microscale.Under optimal conditions(pH=4,t=8 h,β-CD:NaAlg=9,adsorbent dosage = 1.5 g·L-1),the maximum removal rate of β-CD/NaAlg to tetracycline was 70%.The adsorption behavior of tetracycline on β-CD/NaAlg conformed to the Freundlich isotherm model(R2=0.9977) and the pseudo-second-order kinetic model(R^(2)=0.9993).Moreover,the adsorbent still removed 55.3% of tetracycline after five cycles.Specially,the adsorbent was integrated with ultrafiltration to adsorb tetracycline antibiotics from simulated reclaimed wastewater,and the removal rate of tetracycline reached 78.9% within 2 h.The existence of Cr(Ⅵ) had a negligible impact on tetracycline removal,while the presence of humic acid exhibited a promoting effect.The possible adsorption mechanisms were also elucidated through X-ray photoelectron spectroscopy and density functional theory analysis.In summary,β-CD/NaAlg represents an environmentally friendly,efficient,and sustainable adsorbent for removing tetracycline antibiotics from reclaimed water.
基金supports from the National Natural Science Foundation of China(NSFC,No.52100069)the Shenzhen Science and Technology Program(No.JCYJ20220531093205013)the 2023 Shenzhen Sustainable Supporting Funds for Colleges and Universities(No.20231121170027002)are greatly acknowledged.
文摘Herein,we constructed defective UiO-66 with rich Zr vacancy structure model,in which the defective structure was verified by various characterizations.Also,the Pb adsorption experiments affirmed that defective UiO-66 could display better adsorption and selective adsorption ability than that of perfect UiO-66.The results of partial density of states(PDOS)and Mulliken charge population indicated that the blue shift of O 2p and Zr 4d orbit induced the electron rearrangement of atoms closed to the bonding sites,while the positive charge number of Zr atoms decreased than before.Combining with the expansion of pore size,Pb atom was more inclined to transfer and bond with unsaturated coordination oxygens.More significantly,quantitative structure-activity relationships(QSARs)demonstrated that selective capture of Pb instead of Zn,Cu,Cd and Hg displayed by defective UiO-66 was determined jointly by bond strength,adsorption energy and electron transfer.This work provided some theoretical direction for the purpose of the fabrication of adsorbent and the investigation of mechanism.
基金supported by National Natural Science Foundation of China(Nos.22371226 and 22371225)Natural Science Basic Research Program of Shaanxi(No.2024JC-JCQN-18).
文摘The utilization of ethane-selective materials for adsorption-based separation technology presents an energy-efficient alternative to cryogenic distillation for ethylene(C_(2)H_(4))purification from ethane(C_(2)H_(6)).To study the relations between separation performance and pore environments,we carried out the isoreticular chemistry rule to introduce the-NH_(2)groups into a C_(2)H_(6)-selective MOF[Cu_(1.5)(BTC)(DPU)_(1.5)(H_(2)O)_(1.5)],and successfully improved the adsorption capacity and selectivity for C_(2)H_(6)over C_(2)H_(4).The NH_(2)-functionalized MOF[Cu_(1.5)(NH_(2)-BTC)(DPU)_(1.5)(H_(2)O)_(1.5)]with a relatively narrow pore not only forms appropriate pore restriction but also provides additional binding sites to enhance the adsorption capacity of C_(2)H_(6)relative to C_(2)H_(4).Both gas adsorption and dynamic breakthrough results indicated that the-NH_(2)functionalization significantly enhanced the separation performance of materials for C_(2)H_(6)/C_(2)H_(4)mixtures,allowing the production of C_(2)H_(4)with a purity of over 99.99%and a productivity of up to 30.02 L/kg in one step.Theoretical calculations revealed that the synergistic effect of appropriate pore confinement and NH_(2)-modified functional surfaces imposed stronger interactions on C_(2)H_(6)than C_(2)H_(4).
基金supported by the National Natural Science Foundation of China(Nos.22205207 and 22378369)major project of NSF of Zhejiang Province(LD24B060001).
文摘Due to the similar physicochemical properties of acetylene(C_(2)H_(2))and carbon dioxide(CO_(2)),separating C_(2)H_(2)from a CO_(2)/C_(2)H_(2)mixture poses a significant challenge in the petrochemical industry.Herein,we successfully synthesized a novel SiF_(6)^(2) anion pillared cage metal-organic framework ZNU-15 possessing a new crs topological structure for the selective capture of C_(2)H_(2).As a linear bidentate linker,the fluorinated SiF_(6)^(2) anion partitions the pores into various sized cages.ZNU-15 displays moderate adsorption for C_(2)H_(2)with a capacity of 36.0 cm^(3)g^(-1)at 298 K and 1 bar,which is 2.7 times higher than the CO_(2)uptake.The IAST selectivity of C_(2)H_(2)/CO_(2)for ZNU-15 at 298 K and 100 kPa is 10.5,surpassing that of most reported materials.The Qst values for C_(2)H_(2)and CO_(2)at zero coverage are 54.0 and 42.8 kJ mol^(-1),respectively.Moreover,breakthrough experimental tests show that ZNU-15 is capable of effectively separating C_(2)H_(2)from a C_(2)H_(2)/CO_(2)mixture.Theoretical calculations further indicate that C_(2)H_(2)is preferentially trapped by the small cage with four cooperative hydrogen bonds.
基金The Natural Science Foundation of Jiangsu Province(No.BK2009262)the Scientific Research Foundation for the Returned Overseas Chinese Scholars,State Education Ministry
文摘A novel porous coordination polymer,iron naphthalenedicarboxylate Fe（OH）（1,4-NDC）·2H2O is hydrothermally synthesized by the reaction of FeSO4·7H2O and 1,4-naphthalenedicarboxylic acid（1,4-H2NDC） at 150℃.The compound crystallizes in a tetragonal space group P42/nmc：a=2.1447（4） nm,c=0.68849（14） nm,V=3.1669（11） nm3,Z=8,R=0.0845,wR=0.1829.The crystal structure exhibits a three-dimensional framework which is composed of infinite chains of corner-sharing octahedral Fe（OH）2O4 with 1,4-NDC ligands forming two types of channels with square-shaped cross-sections.The large channels present a cross-section of 0.76 nm×0.76 nm,while the small channels are about 0.30 nm×0.30 nm.No structural transformation occurs after removing the vip water molecules,while a robust structure generates with permanent porosity.The adsorption measurements show that the anhydrous sample of the compound can adsorb CO2 into its pores.The adsorption isotherms for methanol,acetone,tetrahydrofuran and benzene are also measured.
基金Supported by the CNPC Huabei Oilfield Science and Technology Development Project(HBYT-CYY-2014-JS-378,HBYT-CYY-2015-JS-47)
文摘The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to be reasonable by comparing the simulated results with the experimental data. Grand Canonical Monte Carlo(GCMC)simulations were then carried out to investigate the single and binary component adsorption of CO_2 and CH_4with the built bituminous coal model. For the single component adsorption, the isosteric heat of CO_2 adsorption is greater than that of CH_4 adsorption. CO_2 also exhibits stronger electrostatic interactions with the heteroatom groups in the bituminous coal model compared with CH_4, which can account for the larger adsorption capacity of CO_2 in the bituminous coal model. In the case of binary adsorption of CO_2 and CH_4mixtures, CO_2 exhibits the preferential adsorption compared with CH_4 under the studied conditions. The adsorption selectivity of CO_2 exhibited obvious change with increasing pressure. At lower pressure, the adsorption selectivity of CO_2 shows a rapid decrease with increasing the temperature, whereas it becomes insensitive to temperature at higher pressure. Additionally, the adsorption selectivity of CO_2 decreases gradually with the increase of the bulk CO_2 mole fraction and the depth of CO_2 injection site.
基金Financially supported by the National Natural Science Foundation of China(21273033,21673039 and 21573042)
文摘A novel,porous and doubly interpenetrated MOF（FJU-29） was synthesized and characterized by FT-IR,TGA and X-ray single-crystal/powder diffraction.FJU-29 crystallizes in monoclinic,space group C2/c with a = 22.2890（7）,b = 10.9175（2）,c = 21.5601（7） ？,β = 112.908（4）o,V = 4832.7（3） ？~3,Z = 8,Mr = 450.26,D_c = 1.238 g/cm^3,F（000） = 1832,μ（CuKα） = 5.885 mm^（-1）,R = 0.0585 and wR = 0.1544 for 4789 observed reflections（I 〉 2s（I））,and R = 0.0726 and wR = 0.1627 for all data.FJU-29 possesses paddle-wheel {Co_2（COO）_4} clusters bridged by bi-pyrazolate naphthalene diimide ligands（H_2NDI） and H_2BDC to from a 3D framework with a pcu-topology.The desolvated FJU-29a shows the BET surface area of 560.44 m^2·g^（-1） accompanies with discriminating uptakes in CO_2 and N_2.The adsorption selectivity determined by ideal adsorbed solution theory（IAST） indicated that FJU-29 a has high CO_2/N_2（18/85） selectivity（75.5） at 296 K and 100 kPa.The relatively high selectivity further implies that FJU-29 a is a potential material for practical flue gas purification.
基金This study was supported by National Natural Science Foundation (Grant No. 29974015)
文摘The adsorption of aniline, N-methylaniline and N,N-dimethylaniline onto carboxyl resin in Cu2+ form from water, ethanol and n-hexane have been studied. The results show that the adsorption affinities from n-hexane are higher than that from water, and nearly zero from ethanol. The separation factors for the adsorption of these three amines from mixed solution were also examined. The results of continuous column operations show that the breakthrough capacity of aniline from n-hexane reaches 90 mg/g dry resin in Cu2+ form, and the amines adsorbed can be stripped with anhydrous ethanol effectively. Adsorption onto carboxyl resin in Cu2+ form from non-aqueous medium and desorption with anhydrous eluant can overcome the run-off of Cu2+ from the resin, and would show potential advantages in the separation of some water-insoluble natural products.
基金supported by the National Natural Science Foundation of China(grant number:21701189).
文摘Five microporous MOFs were synthesized and their static adsorption properties for light hydrocarbons were experimentally investigated at 298 K and 150 kPa.Among the five MOFs,HKUST-1 and Ni(bdc)(ted)0.5 exhibited much higher uptakes of ethane and propane than PCN-250,UiO-66,and ZIF-8.Breakthrough experiments were carried out at 298 K and atmospheric pressure on HKUST-1 and two commercially used adsorbents.HKUST-1 exhibited a much lower dynamic than static adsorption capacity.Moreover,HKUST-1 and the two traditional adsorbents could effectively separate binary(ethane/propane)and ternary(ethane/propane/toluene)mixtures.
基金Funded by the Opening Funding of the Provincial and Ministerial Joint Construction of the State Key Laboratory of New Textile Materials and Advanced Processing Technology(No.FZ2020003)the Science and Technology Innovation Program of Wuhan Textile University(No.233060)。
文摘Ordered porous silica nanospheres with pores vertical to the walls were prepared by using 1,3,5-trimethyl-benzen(TMB)and hexadecitrile trimethyl ammonium bromide(CTAB)as templates.After removing the templates,porous structures were obtained.The porous silica nanosperes were further modified with amino and amino acid functionalization to obtain L-Glutamic acid-functionalized mesoporous silica nanospheres,which were used as chiral selective agents for amino acid enantioseparation such as PheCOOH,PhgCOOH,and TrpCOOH enantiomers.The experimental results show that the functionalized nanospheres have good adsorption selectivity for D-PheCOOH and L-PhgCOOH,especially showing high adsorption selectivity for the L-TrpCOOH enantiomers compared with L-PheCOOH and D-PhgCOOH and D-TrpCOOH enantiomers.
基金supported by the National Key Research and Development Program of China(2023YFC3207904).
文摘Selective perchlorate(ClO_(4)^(−))removal from surface water is a pressing need due to the stringent perchlorate drinking water limits around the world.Herein,we anchored N^(+)–C–H hydrogen bond donors in hydrophobic cavities via interactions of cationic surfactants with montmorillonite to prioritize perchlorate bonding.The prepared adsorbent exhibited high selectivity over commonly occurring competing anions,including SO_(4)^(2−),NO_(3)^(−),PO_(4)^(3−),HCO_(3)^(−),and halide anions.High adsorption capacity,fast adsorption kinetics,and excellent regeneration ability(removal efficiency≥80%after 20 cycles)were confirmed via batch experiments.Unconventional CH···O hydrogen bonding was verified as the primary driving force for perchlorate adsorption,which relies on the higher bond energy(∼80 kcal·mol−1)than conventional bonding.The removal efficiency of anions followed the order of the Hofmeister Series,demonstrating the importance of hydrophobic cavities formed by the tail groups of cationic surfactants.The hydrophobic cavities sheltered the C–H bonds from interacting with anions of low hydration energy(e.g.,perchlorate).Furthermore,a fixed-bed column test demonstrated that about 2900 bed volumes of the feeding streams(∼500μg·L^(−1))can be treated to≤70μg·L^(−1),with an enrichment factor of 10.3.Overall,on the basis of the hydrophobicity-induced hydrogen bonding mechanism,a series of low-cost adsorbents can be synthesized and applied for specific perchlorate removal.
基金Project (2014CB643401) supported by the National Basic Research Program of ChinaProjects (51134007,51474256) supported by the National Natural Science Foundation of ChinaProject (2016TP1007) supported by the Hunan Provincial Science and Technology Plan Project in China
文摘A novel silica-supported tert-butyl 2-picolyamino-N-acetate chelating resin (Si-AMPY-1) was successfully synthesized and characterized by elemental analysis, FT-IR, SEM and 13 C CP/MAS NMR. The adsorption behaviors of the Si-AMPY-1 resin for Cu(Ⅱ) and Ni(Ⅱ) were studied with batch and column methods. The batch experiments indicated that the Si-AMPY-1 resin adsorbed Ni(Ⅱ) mainly via physisorption, while adsorbed Cu(II) via chemisorption. The column dynamic breakthrough curves revealed thatthe Si-AMPY-1 resin can efficiently separate Cu(Ⅱ) from the simulated nickel electrolyte before the breakthrough point. Moreover, the concentration of Cu(Ⅱ) in the column effluent was decreased to be less than 3 mg/L within the first 43 BV (bed volumes), and the mass ratio of Cu/Ni was 21:1 in the saturated resin, which completely satisfied the industrial requirements of the nickel electrorefining process. Therefore, it was concluded that the Si-AMPY-1 resin can be a promising candidate for the deep removal of Cu(Ⅱ) from the nickel electrolyte.
文摘A novel Ni（Ⅱ） ion-imprinted silica gel polymer was prepared via the surface imprinting technique combined with aqueous solution polymerization by using 2-acrylamido-2-methyl-1-propanesulfonic acid（AMPS） as a functional monomer for the selective separation of Ni（Ⅱ） from aqueous solution. The sorbent showed good chemical and thermal stability. Kinetics studies indicated that the equilibrium adsorption was achieved within 10 min and the adsorption kinetics fitted well with the pseudo-second-order kinetic model. The maximum adsorption capacity of the ion-imprinted polymer towards Ni（Ⅱ） at the optimal p H of 7.0 was 66.22 mg·g^（-1）. The relative selectivity coefficients of the sorbent were 9.23, 15.71, 14.72 and 20.15 for Ni（Ⅱ）/Co（Ⅱ）, Ni（Ⅱ）/Cu（Ⅱ）, Ni（Ⅱ）/Zn（Ⅱ） and Ni（Ⅱ）/Pb（Ⅱ）, respectively. The adsorption isotherm fitted well with Langmuir isotherm model. The thermodynamic results indicated that the adsorption of Ni（Ⅱ） was a spontaneous and endothermic process. The sorbent showed good reusability evidenced by six cycles of adsorption/desorption experiments. The precision of this method is satisfactory. Thus, the prepared sorbent can be considered as a promising sorbent for selective separation of Ni（Ⅱ） in real water samples.
基金This work was supported by the National Science Fund for Excellent Young Scholars(21722606)the National Natural Science Foundation of China(21676138,21878149,21808110,and 21576137)+1 种基金the China Postdoctoral Science Foundation(2018M632295)the Six Talent Plan(2016XCL031).
文摘Achieving efficient adsorption and desorption processes by controllably tuning the properties of adsorbents at different technical stages is extremely attractive.However,it is difficult for traditional adsorbents to reach the target because of their fixed active sites.Herein,we report on the fabrication of a smart adsorbent,which was achieved by introducing photoresponsive azobenzene derivatives with cis/trans isomers to Ce-doped mesoporous silica.These photoresponsive groups serve as “molecular switches”by sheltering and exposing active sites,leading to efficient adsorption and desorption.Ce is also doped to provide additional active sites in order to enhance the adsorption performance.The results show that the cis isomers effectively shelter the active sites,leading to the selective adsorption of methylene blue(MB)over brilliant blue(BB),while the trans isomers completely expose the active sites,resulting in the convenient release of the adsorbates.Both selective adsorption and efficient desorption can be realized controllably by these smart adsorbents through photostimulation.Moreover,the performance of the obtained materials is well maintained after five cycles.
基金Project supported by National Basic Research Program of China(973 Program)(2012CBA01205)
文摘The flotation performances of styrene phosphonic acid（SPA） to synthetic（Ce,La）2O3（REO）, calcium fluorite（CaF2） and fluorapatite（Ca5F（PO4）3） were investigated by flotation tests, flotation of synthetic mixed mineral, the surface adsorption capacity and the polarizing microscopy to solve the flotation separation problem of rare earth oxides from roasted concentrate. The flotation test results indicated that compared with CaF2 and Ca5F（PO4）3, SPA exhibited superior collecting performance to direct flotation recovery of REO and floated out above 90% REO at pH 3–6. However, the collecting ability of SPA to CaF2 and Ca5F（PO4）3 was extremely weak and the highest recovery was only 20% at pH 2–11. The flotation of synthetic mixed mineral showed that SPA was a good collector reagent for flotation of synthetic REO at pH 5, so REO, CaF2 and Ca5F（PO4）3 could be separated from roasted concentrate by using SPA as a collector. The surface adsorption capacity tests and polarizing microscopy results confirmed that SPA was adsorbed on REO surface, while CaF2 and Ca5F（PO4）3 were not. The adsorption mechanism of SPA to synthetic REO was studied by solution chemistry analysis of collector, the ζ-potential tests, infrared spectroscopy and X-ray photoelectron spectroscopy（XPS） analyses. The results indicated that SPA was physically adsorbed onto REO surface, which exhibited excellent flotation selectivity to REO against CaF2 and Ca5F（PO4）3.
基金financially supported by the Natural Science Foundation of Shandong Province(ZR2019MEM015 and ZR2017QB003)Young Taishan Scholar Program of Shandong Province(No.tsqn201909139)the Introduction and Cultivation Plan of Young Innovative Talents in Colleges and Universities of Shandong Province。
文摘Surface modification offers an alternative strategy to improve both ageing resistance and electrochemical performance of cathode materials for lithium-ion batteries.From the viewpoint of real application,surface modification of the cathode materials should be designed with scientificity,effectiveness,low cost,less Li+leaching,and remained tap density.In this contribution,a selective adsorption-involved in-situ growth of polyaniline(PANI)nanoparticles on LiNi_(0.5)Mn_(0.3)Co_(0.2)O_(2)(NMC532)has been designed through a room-temperature-and-pressure chemical vapor deposition technique.The selective growth of PANTI on NMC532 is based on theoretical computation results that multivalent Ni,Mn,and Co are capable of specifically conjugating and activating aniline molecules and,hence,initiating in-situ oxidation polymerization.With only trace amount of aniline monomer,the resulting PANI nanoparticles-inlaid NMC532 microparticles can endure four-month ageing in ambient atmosphere and exhibit improved electrochemical performance at both room temperature and 55℃ compared with pristine NMC532.The improved electrochemical performance of NMC532/PANI is attributed to the enhanced structural stability of NMC532 and inhibited side reactions related to Li_(2)CO_(3) formation,PVDF degradation,electrolyte decomposition,and transition-metal dissolution,owing to PANI modification.
基金supported by the National Natural Science Foundation of China(Nos.21777033 and 41807191)Science and Technology Planning Project of Guangdong Province(No.2017B020216003)+2 种基金Natural Science Foundation of Guangdong Province,China(No.2018A030310524)Local Innovative and Research Teams Project of Guangdong Pearl River Talents Program(No.2017BT01Z032)the Innovation Team Project of Guangdong Provincial Department of Education(No.2017KCXTD012)。
文摘In the field of volatile organic compounds(VOCs)pollution control,adsorption is one of the major control methods,and effective adsorbents are desired in this technology.In this work,the density functional theory(DFT)calculations are employed to investigate the adsorption of typical VOCs molecules on the two-dimensional material borophenes.The results demonstrate that both structure ofχBorophene;2D material;Volatile organic compounds(VOCs);Selective adsorption;Electronic structure andβ12 borophene can chemically adsorb ethylene and formaldehyde with forming chemical bonds and releasing large energy.However,other VOCs,including ethane,methanol,formic acid,methyl chloride,benzene and toluene,are physically adsorbed with weak interaction.The analysis of density of states(DOS)reveals that the chemical adsorption changes the conductivity of borophenes,while the physical adsorption has no distinct effect on the conductivity.Therefore,bothχ^(3)andβ_(12) borophene are appropriate adsorbents for selective adsorption of ethylene and formaldehyde,and they also have potential in gas sensor applications due to the obvious conductivity change during the adsorption.
