Objective: The objective of this study was to decipher chemical interactions between Danshen and Danggui using liquid chromatography–mass spectrometry(LC-MS) and explore the mechanisms of Danshen–Danggui against str...Objective: The objective of this study was to decipher chemical interactions between Danshen and Danggui using liquid chromatography–mass spectrometry(LC-MS) and explore the mechanisms of Danshen–Danggui against stroke using network pharmacology and molecular docking. Materials and Methods: First, the chemical compounds of Danshen–Danggui were profiled using ultra-high-performance liquid chromatography(HPLC)-quadrupole time-of-flight MS. Accurately characterized compounds in various proportions of Danshen–Danggui were quantified using HPLC combined with triple quadrupole electrospray tandem MS. Network pharmacology was used to uncover the essential mechanisms of action of Danshen–Danggui against stroke. Discovery Studio Software was used for the molecular docking verification of key active chemicals and stroke-related targets. Results: A total of 53 compounds were characterized, and 22 accurately identified constituents(10 phenolic acids, 8 phthalides, and 4 tanshinones) were quantified in 15 proportions of Danshen–Danggui. The quantification results showed that Danggui significantly increased the dissolution of most phenolic acids(compounds from Danshen), whereas Danshen promoted the dissolution of most phthalides(compounds from Danggui). Overall, the combination of Danshen and Danggui at a 1:1 ratio resulted in the maximum total dissolution rate. Further network pharmacology and molecular docking results indicated that Danshen–Danggui exerted anti-stroke effects mainly by regulating inflammation-related(tumor necrosis factor, hypoxia-inducible factor, and toll-like receptor) signaling pathways, which ranked among the top three pathways based on Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analysis. Conclusion: The chemical compounds in Danshen–Danggui could interact with each other to increase the dissolution of the most active compounds, which could provide a solid basis for uncovering the compatibility mechanisms of Danshen–Danggui and Danshen–Danggui-based formulae.展开更多
Fullerene materials have been widely used to fabricate efficient and stable perovskite solar cells(PSCs)due to their excellent electron transport ability,defect passivation effect,and beyond.Recent studies have shown ...Fullerene materials have been widely used to fabricate efficient and stable perovskite solar cells(PSCs)due to their excellent electron transport ability,defect passivation effect,and beyond.Recent studies have shown that fullerene-related chemical interaction has played a crucial role in determining device performance.However,the corresponding fullerene-related chemical interactions are yet well understood.Herein,a comprehensive review of fullerene materials in regulating carrier transport,passivating the surface and grain boundary defects,and enhancing device stability is provided.Specifically,the influence of the fullerene-related chemical interactions,including fullerene-perovskite,fullerene-inorganic electron transport layer(IETL),and fullerene-fullerene,on the device performance is well discussed.Finally,we outline some perspectives for further design and application of fullerene materials to enhance the performance and commercial application of PSCs.展开更多
Although hydrofluoric acid(HF)surface treatment is known to enhance the joining of metals with polymers,there is limited information on its effect on the joining of AZ31 alloy and carbon-fiber-reinforced plastics(CFRP...Although hydrofluoric acid(HF)surface treatment is known to enhance the joining of metals with polymers,there is limited information on its effect on the joining of AZ31 alloy and carbon-fiber-reinforced plastics(CFRPs)through laser-assisted metal and plastic direct joining(LAMP).This study uses the LAMP technique to produce AZ31-CFRP joints.The joining process involves as-received AZ31,HFpretreated AZ31,and thermally oxidized HF-pretreated AZ31 alloy sheets.Furthermore,the bonding strength of joints prepared with thermally oxidized AZ31 alloy sheets is examined to ascertain the combined effect of HF treatment and thermal oxidation on bonding strength.The microstructures,surface chemical interactions,and mechanical performances of joints are investigated under tensile shear loading.Various factors,such as bubble formation,CFRP resin decomposition,and mechanical interlocking considerably affect joint strength.Additionally,surface chemical interactions between the active species on metal parts and the polar amide along with carbonyl groups of polymer play a significant role in improving joint strength.Joints prepared with surface-pretreated AZ31 alloy sheets show significant improvements in bonding strength.展开更多
Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical interaction.Cr coating has emerged as an important candidate for mitigating thi...Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical interaction.Cr coating has emerged as an important candidate for mitigating this chemical interaction.In this study,first-principles calculations were employed to investigate the diffusion behavior of Cs and I in the Cr bulk and grain boundaries to reveal the microscopic interaction mitigation mechanisms at the fuel-cladding interface.The interaction between these two fission products and the Cr coating were studied systematically,and the Cs and I temperature-dependent diffusion coefficients in Cr were obtained using Bocquet’s oversized solute-atom model and Le Claire’s nine-frequency model,respectively.The results showed that the Cs and I migration barriers were significantly lower than that of Cr,and the Cs and I diffusion coefficients were more than three orders of magnitude larger than the Cr self-diffusion coefficient within the temperature range of Generation-IV fast reactors(below 1000 K),demonstrating the strong penetration ability of Cs and I.Furthermore,Cs and I are more likely to diffuse along the grain boundary because of the generally low migration barriers,indicating that the grain boundary serves as a fast diffusion channel for Cs and I.展开更多
Rational interface engineering is essential for minimizing interfacial nonradiative recombination losses and enhancing device performance.Herein,we report the use of bidentate diphenoxybenzene(DPOB)isomers as surface ...Rational interface engineering is essential for minimizing interfacial nonradiative recombination losses and enhancing device performance.Herein,we report the use of bidentate diphenoxybenzene(DPOB)isomers as surface modifiers for perovskite films.The DPOB molecules,which contain two oxygen(O)atoms,chemically bond with undercoordinated Pb^(2+) on the surface of perovskite films,resulting in compression of the perovskite lattice.This chemical interaction,along with physical regulations,leads to the formation of high-quality perovskite films with compressive strain and fewer defects.This compressive strain-induced band bending promotes hole extraction and transport,while inhibiting charge recombination at the interfaces.Furthermore,the addition of DPOB will reduce the zero-dimensional(OD) Cs_4PbBr_6 phase and produce the two-dimensional(2D) CsPb_(2)Br_5 phase,which is also conducive to the improvement of device performance.Ultimately,the resulting perovskite films,which are strain-released and defect-passivated,exhibit exceptional device efficiency,reaching 10.87% for carbon-based CsPbBr_(3) device,14.86% for carbon-based CsPbI_(2)Br device,22,02% for FA_(0.97)Cs_(0.03)PbI_(3) device,respectively.Moreover,the unencapsulated CsPbBr_(3) PSC exhibits excellent stability under persistent exposure to humidity(80%) and heat(80℃) for over 50 days.展开更多
The remarkable ramping of record power conversion efficiencies in perovskite solar cells(PSCs) has stimulated the growth of this technology towards commercialization. However, there remain challenges and opportunities...The remarkable ramping of record power conversion efficiencies in perovskite solar cells(PSCs) has stimulated the growth of this technology towards commercialization. However, there remain challenges and opportunities for further improving their efficiency and stability. Featuring the variety of functional group in the constituting ions, ionic liquids(ILs) exhibit versatile properties and functions that can be leveraged to the development of improved PSCs. Herein with a systematic review on the recent progress in the application of ILs to PSCs, we show that based on the different roles of ILs in the film and device settings, IL can facilitate the thin-film synthesis of perovskites, improve the properties of chargetransport layers, and ameliorate the interfacial energetics at device interfaces. In particular, the ILsperovskite interactions of two different types(Lewis acid-base interaction and hydrogen bonding) are the essential chemistries underpinning observed efficiency and stability improvements in PSCs, which represent a vast research paradigm in the field of energy chemistry.展开更多
Rational architecture design has turned out to be an effective strategy in improving the electrochemical performance of electrode materials for batteries.However,an elaborate structure that could simultaneously endow ...Rational architecture design has turned out to be an effective strategy in improving the electrochemical performance of electrode materials for batteries.However,an elaborate structure that could simultaneously endow active materials with promoted reaction reversibility,accelerated kinetic and restricted volume change still remains a huge challenge.Herein,a novel chemical interaction motivated structure design strategy has been proposed,and a chemically bonded Co(CO_(3))_(0.5)OH·0.11 H_(2)O@MXene(CoCH@MXene)layered-composite was fabricated for the first time.In such a composite,the chemical interaction between Co^(2+)and MXene drives the growth of smaller-sized CoCH crystals and the subsequent formation of interwoven CoCH wires sandwiched in-between MXene nanosheets.This unique layered structure not only encourages charge transfer for faster reaction dynamics,but buffers the volume change of CoCH during lithiation-delithiation process,owing to the confined crystal growth between conductive MXene layers with the help of chemical bonding.Besides,the sandwiched interwoven CoCH wires also prevent the stacking of MXene layers,further conducive to the electrochemical performance of the composite.As a result,the as-prepared CoCH@MXene anode demonstrates a high reversible capacity(903.1 mAh g^(-1)at 100 mA g^(-1))and excellent cycling stability(maintains 733.6 mAh g^(-1)at1000 mA g^(-1)after 500 cycles)for lithium ion batteries.This work highlights a novel concept of layerby-layer chemical interaction motivated architecture design for futuristic high performance electrode materials in energy storage systems.展开更多
The objective of this study is to presume cesium corrosion process and its dominant factors in SUS316 steel, a fuel cladding material for fast breeder reactor application, based on both experimental results of cesium ...The objective of this study is to presume cesium corrosion process and its dominant factors in SUS316 steel, a fuel cladding material for fast breeder reactor application, based on both experimental results of cesium corrosion out-pile test and thermodynamic consideration. The cesium corrosion test was performed in simulated environment of high burn-up fuel pin. And main corrosion products in the specimen after the corrosion test were specified by TEM （transition electron microscopy） and SEM （scanning electron microscopy） in order to formulate a hypothesis of the cesium corrosion process. At the end of this study, it was found that the dominant factors of the corrosion process are the amount of cesium on the surface of the specimen, chromium content in the alloy, the supply rate of oxygen and temperature.展开更多
The notorious shuttle effect has long been obstructing lithium-sulfur(Li-S) batteries from yielding the expected high energy density and long lifespan.Herein,we develop a multifunctional polysulfide barrier reinforced...The notorious shuttle effect has long been obstructing lithium-sulfur(Li-S) batteries from yielding the expected high energy density and long lifespan.Herein,we develop a multifunctional polysulfide barrier reinforced by the graphitic carbon nitride/carbon nanotube(g-C_3 N_4/CNT) composite toward inhibited shuttling behavior and improved battery performance.The obtained g-C_3 N_4 delivers a unique spongelike architecture with massive ion transfer pathways and fully exposed active interfaces,while the abundant C-N heteroatomic structures impose strong chemical immobilization toward lithium polysulfides.Combined with the highly conductive agent,the g-C_3 N_4/CNT reinforced separator is endowed with great capability of confining and reutilizing the active sulfur within the cathode,thus contributing to an efficient and stable sulfur electrochemistry.Benefiting from these synergistic attributes,Li-S cells based on g-C_3 N_4/CNT separator exhibit an excellent cyclability with a minimum decay rate of 0.03% per cycle over 500 cycles and decent rate capability up to 2 C.Moreover,a high areal capacity of 7.69 mAh cm^(-2)can be achieved under a raised sulfur loading up to 10.1 mg cm^(-2).demonstrating a facile and efficient pathway toward superior Li-S batteries.展开更多
The chemical and physical interactions in the interfacial transition zone （ITZ） between three different types of coarse aggregates （limestone, granite and basalt） and cement paste were investigated. The results sh...The chemical and physical interactions in the interfacial transition zone （ITZ） between three different types of coarse aggregates （limestone, granite and basalt） and cement paste were investigated. The results show that all the aggregates are chemically active. Significant amounts of Ca2＋, K＋, and Na＋ are absorbed by all the aggregates from the cement solution, granite and basalt also absorb significant amounts of OH- and release significant amounts of Si4＋ into cement solution. The XRD, EDXA and pore structure results of the ITZ also show that more clinkers participate in the cement hydration in the ITZ of granite and basalt, and more hydrates are generated, hence resulting in a denser ITZ structure with a lower content of maeropores. Although the limestone has the least activity, the connection between it and cement paste is tight, due to its rough surface and higher water absorption. Whereas the granite with smooth surface and lower water absorption has a loose connection with cement paste, many pores and cracks are visible, which is very detrimental to the concrete durability.展开更多
The distribution of gold colloids in kaolinite and the interaction between gold and kaolinite surface were investigated by transmission electron mieroscotgy （TEM） and X-ray photoelectron spectroscopy （ XPS ）. The...The distribution of gold colloids in kaolinite and the interaction between gold and kaolinite surface were investigated by transmission electron mieroscotgy （TEM） and X-ray photoelectron spectroscopy （ XPS ）. There is strong interaction between the gold particles and the edge surfaces of kaolinite, in low pH solution, the edge surface of kaolinite is positively charged and electrostutic attrcactive force between colloide gold panicles and the positive edge surface of kaolinite woald facilitate the adsorption of colloidal gold particles onto the suface. TEM observation shows that the aggregate morphology of gold particles was dominated by particle-particle interaction and gold particles were adsorbed on the edge surface of kaolinite crystals , resulting from the electrostatic attractive force between colloidal gold particles and the positice surfaces of kaolinite. XPS data show that in Au4 f electron spectra there are four energy peaks related to gold, 83.8 eV, 85.7 eV, 87.5 eV, and 89.4 eV, respectively, which suggests that in chemical states there are metallic gold and Au bonded to O, similar to the form of Au2O3 , and composite Au2O3 is formed between the edge surface of kaolinite and colloidal gold surface.展开更多
The migration of lanthanide fission products to cladding materials is recognized as one of the key causes of fuel–cladding chemical interaction(FCCI) in metallic fuels during operation. We have performed first-princi...The migration of lanthanide fission products to cladding materials is recognized as one of the key causes of fuel–cladding chemical interaction(FCCI) in metallic fuels during operation. We have performed first-principles density functional theory calculations to investigate the segregation behavior of lanthanide fission products(La, Ce, Pr, and Nd) and their effects on the intergranular embrittlement at Σ3(111) tilt symmetric grain boundary(GB) in α-Fe. It is found that La and Ce atoms tend to reside at the first layer near the GB with segregation energies of-2.55 eV and-1.60 eV, respectively,while Pr and Nd atoms prefer to the core mirror plane of the GB with respective segregation energies of-1.41 eV and-1.50 eV. Our calculations also show that La, Ce, Pr, and Nd atoms all act as strong embrittlers with positive strengthening energies of 2.05 eV, 1.52 eV, 1.50 eV, and 1.64 eV, respectively, when located at their most stable sites. The embrittlement capability of four lanthanide elements can be determined by the atomic size and their magnetism characters. The present calculations are helpful for understanding the behavior of fission products La, Ce, Pr, and Nd in α-Fe.展开更多
The emulsifiable conditions of composite collector(FP-2)inindustry are systematically re- searched in the paper. It is foundthat types of the emulsifiers, emulsification temperature, the mixedproportion of FP-2 to emu...The emulsifiable conditions of composite collector(FP-2)inindustry are systematically re- searched in the paper. It is foundthat types of the emulsifiers, emulsification temperature, the mixedproportion of FP-2 to emulsifier are the important parametersaffecting emulsification effect rutile flotation targets. When Theproportion of FP-2 to emulsifier(E-4)is 100, by means ofemulsification of mechanical stirring, the rutile Flotation recoveryis 85.6/100 and the grade is 75.3/100, which approach the flotationtargets of FP-2 used as col- Lector by ultrasonic emulsificationunit.展开更多
1. Introduction Supported by the Sino-German Center for Research Promotion, and organized jointly by the National Natural Science Foundation of China (NSFC) and the German Research Foundation (DFG), the third Sino-Ger...1. Introduction Supported by the Sino-German Center for Research Promotion, and organized jointly by the National Natural Science Foundation of China (NSFC) and the German Research Foundation (DFG), the third Sino-German workshop on particle fluid systems was held on Oct. 24-31, 2004 in Beijing, China, following the two previous successful workshops held on Aug. 30-31,1999 in Hamburg, Germany (Li and Werther, Chem. Eng. Technol., 23(4), 378, 2000) and May 18-19, 2001 in Beijing, China (Li, Ge, Werther and Bruhns, Chem. Eng. Technol., 24(11), 1097, 2001). Thirty-one scientists from China, Germany, Japan and The Netherlands came together for interdisciplinary discussion over the core problem of multi-phase reaction systems in the name of "Chemical and Physical Interactions between Particles and Fluids".展开更多
Chemical interaction of Ce-Fe mixed oxides was investigated in methane selective oxidation via methane temperature programmed reduction and methane isothermal reaction tests over Ce-Fe oxygen carriers. In methane temp...Chemical interaction of Ce-Fe mixed oxides was investigated in methane selective oxidation via methane temperature programmed reduction and methane isothermal reaction tests over Ce-Fe oxygen carriers. In methane temperature programmed reduction test, Ce-Fe oxide behaved complete oxidation at the lower temperature and selective oxidation at higher temperatures. Ce-Fe mixed oxides with the Fe content in the range of 0.1~）.5 was able to produce syngas with high selectivity in high-temperature range （800-900 ~C）, and a higher Fe amount over 0.5 seemed to depress the CO formation. In isothermal reaction, complete oxidation oc- curred at beginning following with selective oxidation later. Ce~_xFexO2~ oxygen carriers （x5_0.5） were proved to be suitable for the selective oxidation of methane. Ce-Fe mixed oxides had the well-pleasing reducibility with high oxygen releasing rate and CO selec- tivity due to the interaction between Ce and Fe species. Strong chemical interaction of Ce-Fe mixed oxides originated from both Fe＊ activated CeO2 and Ce3＋ activated iron oxides （FeOm）, and those chemical interaction greatly enhanced the oxygen mobility and selectivity.展开更多
The intermetallic compounds formation at interface between rare earth elements and clad material were investigated to demonstrate the effects of rare earth elements on fuel-cladding chemical interaction （FCCI） behav...The intermetallic compounds formation at interface between rare earth elements and clad material were investigated to demonstrate the effects of rare earth elements on fuel-cladding chemical interaction （FCCI） behavior. Mischmetal （70Ce-30La） and Nd were prepared as rare earth elements. Diffusion couple testing was performed on the rare earth elements and cladding （9Cr2W steel） near the operation temperature of （sodium-cooled fast reactor） SFR fuel. The performance of a diffusion barrier consisting of Zr and V metallic foil against the rare earth elements was also evaluated. Our results showed that Ce and Nd in the rare earth elements and Fe in the clad material interdiffused and reacted to form intermetallic species according to the parabolic rate law, describing the migration of the rare earth element. The diffusion of Fe limited the reaction progress such that the entire process was governed by the cubic rate law. Rare earth materials could be used as a surrogate for high burnup metallic fuels, and the performance of the barrier material was demonstrated to be effective.展开更多
Active endogenous metabolites regulate the viability of cells. This process is controlled by a series ofinteractions between small metabolites and large proteins. Previously, several studies had reported thatmetabolit...Active endogenous metabolites regulate the viability of cells. This process is controlled by a series ofinteractions between small metabolites and large proteins. Previously, several studies had reported thatmetabolite regulates the protein functions, such as diacylglycerol to protein kinase C, lactose regulationof the lac repressor, and HIF-1α stabilization by 2-hydroxyglutarate. However, decades old traditionalbiochemical methods are insufficient to systematically investigate the bio-molecular reactions for a high-throughput discovery. Here, we have reviewed an update on the recently developed chemical proteomicscalled activity-based protein profiling （ABPP）. ABPP is able to identify proteins interacted eithercovalently or non-covalently with metabolites significantly. Thus, ABPP will facilitate the characteriza-tion of specific metabolite regulating; proteins in human disease progression.展开更多
Two reported three-dimensional covalent organic frameworks(3D-COFs),COF-300 and COF-301,which have hierarchical porous structures and large pore volumes,were synthesized and employed as host materials for lithium-sulf...Two reported three-dimensional covalent organic frameworks(3D-COFs),COF-300 and COF-301,which have hierarchical porous structures and large pore volumes,were synthesized and employed as host materials for lithium-sulfur batteries.Owing to possessing excellent porosities as well as abundant hydroxyl groups in the pore walls,COF-301 can not only trap lithium polysulfides(PSs)via physical adsorption inside the pores,but also capture PSs by chemical interactions to relieve the shuttle effect.Interestingly,it is the first time that 3D-COFs were utilized as host materials for lithium-sulfur batteries as well as hydroxyl groups were introduced into COFs for improving the battery performance.As a result,COF-301@S as cathode material could reserve the capacity of 411.6 mA·h·g^-1 after 500 cycles with only 0.081%fading per cycle at 0.5 C,exhibiting better battery performance compared with COF-300@S.This study not only expands the applications of 3D-COFs but also provides a new route for designing lithium-sulfur batteries.展开更多
Rationally designed heterostructures provide attractive prospects for energy storage electrodes by combining different active materials with distinct electrochemical properties.Herein,through a phase separation strate...Rationally designed heterostructures provide attractive prospects for energy storage electrodes by combining different active materials with distinct electrochemical properties.Herein,through a phase separation strategy,a heterostructure of SnO_(2) encapsulated by amorphous Nb_(2)O_(5) is spontaneously synthesized.Insertion-type anode Nb_(2)O_(5) outer shell,playing as reaction containers and fast ionic pathways,physically inhibits the Sn atoms’migration and enhances the reaction kinetics.Moreover,strong chemical interactions are found at the SnO_(2)/Nb_(2)O_(5) interfaces,which ensure the solid encapsulation of the SnO_(2) cores even after 500 cycles.When used for lithium-ion batteries,this heterostructured anode exhibits high cycling stability with a capacity of 626 mAhg^(-1) after 1000 cycles at 2Ag^(-1)(85% capacity retention)and good rate performance with the capacity of 340 mAhg^(-1) at 8Ag^(-1).展开更多
基金funded by the State Key Laboratory for Chemistry and Molecular Engineering of Medicinal Resources (Guangxi Normal University) (CMEMR2022-B11)National Natural Science Foundation of China (822044593)Natural Science Foundation of Jiangsu Higher Education Institutions of China (22KJB360018)。
文摘Objective: The objective of this study was to decipher chemical interactions between Danshen and Danggui using liquid chromatography–mass spectrometry(LC-MS) and explore the mechanisms of Danshen–Danggui against stroke using network pharmacology and molecular docking. Materials and Methods: First, the chemical compounds of Danshen–Danggui were profiled using ultra-high-performance liquid chromatography(HPLC)-quadrupole time-of-flight MS. Accurately characterized compounds in various proportions of Danshen–Danggui were quantified using HPLC combined with triple quadrupole electrospray tandem MS. Network pharmacology was used to uncover the essential mechanisms of action of Danshen–Danggui against stroke. Discovery Studio Software was used for the molecular docking verification of key active chemicals and stroke-related targets. Results: A total of 53 compounds were characterized, and 22 accurately identified constituents(10 phenolic acids, 8 phthalides, and 4 tanshinones) were quantified in 15 proportions of Danshen–Danggui. The quantification results showed that Danggui significantly increased the dissolution of most phenolic acids(compounds from Danshen), whereas Danshen promoted the dissolution of most phthalides(compounds from Danggui). Overall, the combination of Danshen and Danggui at a 1:1 ratio resulted in the maximum total dissolution rate. Further network pharmacology and molecular docking results indicated that Danshen–Danggui exerted anti-stroke effects mainly by regulating inflammation-related(tumor necrosis factor, hypoxia-inducible factor, and toll-like receptor) signaling pathways, which ranked among the top three pathways based on Kyoto Encyclopedia of Genes and Genomes(KEGG) enrichment analysis. Conclusion: The chemical compounds in Danshen–Danggui could interact with each other to increase the dissolution of the most active compounds, which could provide a solid basis for uncovering the compatibility mechanisms of Danshen–Danggui and Danshen–Danggui-based formulae.
基金the National Natural Science Foundation of China(Nos.51902110,U21A2078,and 22179042)the Natural Science Foundation of Fujian Province(Nos.2020J01064,2020J06021,and 2019J01057)the Scientific Research Funds of Huaqiao University,and Promotion Program for Young and Middle-aged Teacher in Science and Technology Research of Huaqiao University(Nos.ZQN-806 and ZQNPY607).
文摘Fullerene materials have been widely used to fabricate efficient and stable perovskite solar cells(PSCs)due to their excellent electron transport ability,defect passivation effect,and beyond.Recent studies have shown that fullerene-related chemical interaction has played a crucial role in determining device performance.However,the corresponding fullerene-related chemical interactions are yet well understood.Herein,a comprehensive review of fullerene materials in regulating carrier transport,passivating the surface and grain boundary defects,and enhancing device stability is provided.Specifically,the influence of the fullerene-related chemical interactions,including fullerene-perovskite,fullerene-inorganic electron transport layer(IETL),and fullerene-fullerene,on the device performance is well discussed.Finally,we outline some perspectives for further design and application of fullerene materials to enhance the performance and commercial application of PSCs.
基金supported by the Nano&Material Technology Development Program through the National Research Foundation of Korea(NRF),funded by the Ministry of Science and ICT(RS-2023-00234757).
文摘Although hydrofluoric acid(HF)surface treatment is known to enhance the joining of metals with polymers,there is limited information on its effect on the joining of AZ31 alloy and carbon-fiber-reinforced plastics(CFRPs)through laser-assisted metal and plastic direct joining(LAMP).This study uses the LAMP technique to produce AZ31-CFRP joints.The joining process involves as-received AZ31,HFpretreated AZ31,and thermally oxidized HF-pretreated AZ31 alloy sheets.Furthermore,the bonding strength of joints prepared with thermally oxidized AZ31 alloy sheets is examined to ascertain the combined effect of HF treatment and thermal oxidation on bonding strength.The microstructures,surface chemical interactions,and mechanical performances of joints are investigated under tensile shear loading.Various factors,such as bubble formation,CFRP resin decomposition,and mechanical interlocking considerably affect joint strength.Additionally,surface chemical interactions between the active species on metal parts and the polar amide along with carbonyl groups of polymer play a significant role in improving joint strength.Joints prepared with surface-pretreated AZ31 alloy sheets show significant improvements in bonding strength.
基金the National Natural Science Foundation of China(No.12375282)the Key Laboratory of Computational Physical Sciences Project(Fudan University),Ministry of Education.
文摘Cs and I can migrate through fuel-cladding interfaces and accelerate the cladding corrosion process induced by the fuel-cladding chemical interaction.Cr coating has emerged as an important candidate for mitigating this chemical interaction.In this study,first-principles calculations were employed to investigate the diffusion behavior of Cs and I in the Cr bulk and grain boundaries to reveal the microscopic interaction mitigation mechanisms at the fuel-cladding interface.The interaction between these two fission products and the Cr coating were studied systematically,and the Cs and I temperature-dependent diffusion coefficients in Cr were obtained using Bocquet’s oversized solute-atom model and Le Claire’s nine-frequency model,respectively.The results showed that the Cs and I migration barriers were significantly lower than that of Cr,and the Cs and I diffusion coefficients were more than three orders of magnitude larger than the Cr self-diffusion coefficient within the temperature range of Generation-IV fast reactors(below 1000 K),demonstrating the strong penetration ability of Cs and I.Furthermore,Cs and I are more likely to diffuse along the grain boundary because of the generally low migration barriers,indicating that the grain boundary serves as a fast diffusion channel for Cs and I.
基金National Natural Science Foundation of China (62104136, 22179051, 62204098, 52104258)Project of Shandong Province Higher Educational Young Innovative Team (2022KJ218)+3 种基金China Postdoctoral Science Foundation (2023M732104)Qingdao Postdoctoral Funding Program (QDBSH20220201002)Postdoctoral Innovation Project of Shandong Province (SDCX-ZG-202303032)Shandong Provincial Natural Science Foundation (ZR2021ME016)。
文摘Rational interface engineering is essential for minimizing interfacial nonradiative recombination losses and enhancing device performance.Herein,we report the use of bidentate diphenoxybenzene(DPOB)isomers as surface modifiers for perovskite films.The DPOB molecules,which contain two oxygen(O)atoms,chemically bond with undercoordinated Pb^(2+) on the surface of perovskite films,resulting in compression of the perovskite lattice.This chemical interaction,along with physical regulations,leads to the formation of high-quality perovskite films with compressive strain and fewer defects.This compressive strain-induced band bending promotes hole extraction and transport,while inhibiting charge recombination at the interfaces.Furthermore,the addition of DPOB will reduce the zero-dimensional(OD) Cs_4PbBr_6 phase and produce the two-dimensional(2D) CsPb_(2)Br_5 phase,which is also conducive to the improvement of device performance.Ultimately,the resulting perovskite films,which are strain-released and defect-passivated,exhibit exceptional device efficiency,reaching 10.87% for carbon-based CsPbBr_(3) device,14.86% for carbon-based CsPbI_(2)Br device,22,02% for FA_(0.97)Cs_(0.03)PbI_(3) device,respectively.Moreover,the unencapsulated CsPbBr_(3) PSC exhibits excellent stability under persistent exposure to humidity(80%) and heat(80℃) for over 50 days.
基金financial support from the Taishan Scholars Project of Shandong Province (201909121)the start-up grants, Initiation Grant - Faculty Niche Research Areas (IG-FNRA) 2020/21 and Interdisciplinary Matching Scheme 2020/21 of the Hong Kong Baptist University (HKBU) and the Early Career Scheme (22300221) from the Hong Kong Research Grant Councilthe support of the Hong Kong Ph D Fellowship Scheme。
文摘The remarkable ramping of record power conversion efficiencies in perovskite solar cells(PSCs) has stimulated the growth of this technology towards commercialization. However, there remain challenges and opportunities for further improving their efficiency and stability. Featuring the variety of functional group in the constituting ions, ionic liquids(ILs) exhibit versatile properties and functions that can be leveraged to the development of improved PSCs. Herein with a systematic review on the recent progress in the application of ILs to PSCs, we show that based on the different roles of ILs in the film and device settings, IL can facilitate the thin-film synthesis of perovskites, improve the properties of chargetransport layers, and ameliorate the interfacial energetics at device interfaces. In particular, the ILsperovskite interactions of two different types(Lewis acid-base interaction and hydrogen bonding) are the essential chemistries underpinning observed efficiency and stability improvements in PSCs, which represent a vast research paradigm in the field of energy chemistry.
基金financially supported by the National Natural Science Foundation of China(No.51933007,No.51673123 and No.22005346)the National Key R&D Program of China(No.2017YFE0111500)+1 种基金the State Key Laboratory of Polymer Materials Engineering(Grant No.:sklpme2020-1-02)Financial support provided by the Fundamental Research Funds for the Central Universities(No.YJ202118)。
文摘Rational architecture design has turned out to be an effective strategy in improving the electrochemical performance of electrode materials for batteries.However,an elaborate structure that could simultaneously endow active materials with promoted reaction reversibility,accelerated kinetic and restricted volume change still remains a huge challenge.Herein,a novel chemical interaction motivated structure design strategy has been proposed,and a chemically bonded Co(CO_(3))_(0.5)OH·0.11 H_(2)O@MXene(CoCH@MXene)layered-composite was fabricated for the first time.In such a composite,the chemical interaction between Co^(2+)and MXene drives the growth of smaller-sized CoCH crystals and the subsequent formation of interwoven CoCH wires sandwiched in-between MXene nanosheets.This unique layered structure not only encourages charge transfer for faster reaction dynamics,but buffers the volume change of CoCH during lithiation-delithiation process,owing to the confined crystal growth between conductive MXene layers with the help of chemical bonding.Besides,the sandwiched interwoven CoCH wires also prevent the stacking of MXene layers,further conducive to the electrochemical performance of the composite.As a result,the as-prepared CoCH@MXene anode demonstrates a high reversible capacity(903.1 mAh g^(-1)at 100 mA g^(-1))and excellent cycling stability(maintains 733.6 mAh g^(-1)at1000 mA g^(-1)after 500 cycles)for lithium ion batteries.This work highlights a novel concept of layerby-layer chemical interaction motivated architecture design for futuristic high performance electrode materials in energy storage systems.
文摘The objective of this study is to presume cesium corrosion process and its dominant factors in SUS316 steel, a fuel cladding material for fast breeder reactor application, based on both experimental results of cesium corrosion out-pile test and thermodynamic consideration. The cesium corrosion test was performed in simulated environment of high burn-up fuel pin. And main corrosion products in the specimen after the corrosion test were specified by TEM （transition electron microscopy） and SEM （scanning electron microscopy） in order to formulate a hypothesis of the cesium corrosion process. At the end of this study, it was found that the dominant factors of the corrosion process are the amount of cesium on the surface of the specimen, chromium content in the alloy, the supply rate of oxygen and temperature.
基金supported by the National Natural Science Foundation of China (Nos. 21978110 and 51772126)the Natural Science Foundation of Beijing (No. L182062)+8 种基金the Organization Department of Beijing Talents Project (2018000021223ZK21)the Yue Qi Young Scholar Project of China University of Mining & Technology (Beijing) (No. 2017QN17)the Fundamental Research Funds for the Central Universities (No. 2014QJ02)the Jilin Province Science and Technology Department Program (Nos. 20200201187JC, 20190201309JC, and 20190101009JH)the ‘‘13th five-year” Science and Technology Project of Jilin Provincial Education Department (No. JJKH20200407KJ)the Jilin Province Development and Reform Commission Program (Nos. 2020C026-3 and 2019C042-1)the Jilin Province Fund for Talent Development Program (No. [2019] 874)the supports from Natural Sciences and Engineering Research Council of Canada (NSERC), the University of Waterloothe Waterloo Institute for Nanotechnology。
文摘The notorious shuttle effect has long been obstructing lithium-sulfur(Li-S) batteries from yielding the expected high energy density and long lifespan.Herein,we develop a multifunctional polysulfide barrier reinforced by the graphitic carbon nitride/carbon nanotube(g-C_3 N_4/CNT) composite toward inhibited shuttling behavior and improved battery performance.The obtained g-C_3 N_4 delivers a unique spongelike architecture with massive ion transfer pathways and fully exposed active interfaces,while the abundant C-N heteroatomic structures impose strong chemical immobilization toward lithium polysulfides.Combined with the highly conductive agent,the g-C_3 N_4/CNT reinforced separator is endowed with great capability of confining and reutilizing the active sulfur within the cathode,thus contributing to an efficient and stable sulfur electrochemistry.Benefiting from these synergistic attributes,Li-S cells based on g-C_3 N_4/CNT separator exhibit an excellent cyclability with a minimum decay rate of 0.03% per cycle over 500 cycles and decent rate capability up to 2 C.Moreover,a high areal capacity of 7.69 mAh cm^(-2)can be achieved under a raised sulfur loading up to 10.1 mg cm^(-2).demonstrating a facile and efficient pathway toward superior Li-S batteries.
基金Funded by the National Nature Science Foundation of China(No.51108282)Natural Science Foundation of Hebei Province of China(No.E2011210025)+1 种基金Excellent Youth Scholars of University Science and Technology Research of Hebei Province(No.Y2011111)Hebei Key Discipline Construction Project
文摘The chemical and physical interactions in the interfacial transition zone （ITZ） between three different types of coarse aggregates （limestone, granite and basalt） and cement paste were investigated. The results show that all the aggregates are chemically active. Significant amounts of Ca2＋, K＋, and Na＋ are absorbed by all the aggregates from the cement solution, granite and basalt also absorb significant amounts of OH- and release significant amounts of Si4＋ into cement solution. The XRD, EDXA and pore structure results of the ITZ also show that more clinkers participate in the cement hydration in the ITZ of granite and basalt, and more hydrates are generated, hence resulting in a denser ITZ structure with a lower content of maeropores. Although the limestone has the least activity, the connection between it and cement paste is tight, due to its rough surface and higher water absorption. Whereas the granite with smooth surface and lower water absorption has a loose connection with cement paste, many pores and cracks are visible, which is very detrimental to the concrete durability.
基金Funded by the National Natural Science Foundation of China(No.40172017)
文摘The distribution of gold colloids in kaolinite and the interaction between gold and kaolinite surface were investigated by transmission electron mieroscotgy （TEM） and X-ray photoelectron spectroscopy （ XPS ）. There is strong interaction between the gold particles and the edge surfaces of kaolinite, in low pH solution, the edge surface of kaolinite is positively charged and electrostutic attrcactive force between colloide gold panicles and the positive edge surface of kaolinite woald facilitate the adsorption of colloidal gold particles onto the suface. TEM observation shows that the aggregate morphology of gold particles was dominated by particle-particle interaction and gold particles were adsorbed on the edge surface of kaolinite crystals , resulting from the electrostatic attractive force between colloidal gold particles and the positice surfaces of kaolinite. XPS data show that in Au4 f electron spectra there are four energy peaks related to gold, 83.8 eV, 85.7 eV, 87.5 eV, and 89.4 eV, respectively, which suggests that in chemical states there are metallic gold and Au bonded to O, similar to the form of Au2O3 , and composite Au2O3 is formed between the edge surface of kaolinite and colloidal gold surface.
基金Project supported by the National Natural Science Foundation of China(Grant No.U1867217)the National Science and Technology Major Project of the Ministry of Science and Technology of China(Grant No.2019ZX06004009)the China National Nuclear Corporation Centralized Research and Development Project(Grant No.FY18000120)
文摘The migration of lanthanide fission products to cladding materials is recognized as one of the key causes of fuel–cladding chemical interaction(FCCI) in metallic fuels during operation. We have performed first-principles density functional theory calculations to investigate the segregation behavior of lanthanide fission products(La, Ce, Pr, and Nd) and their effects on the intergranular embrittlement at Σ3(111) tilt symmetric grain boundary(GB) in α-Fe. It is found that La and Ce atoms tend to reside at the first layer near the GB with segregation energies of-2.55 eV and-1.60 eV, respectively,while Pr and Nd atoms prefer to the core mirror plane of the GB with respective segregation energies of-1.41 eV and-1.50 eV. Our calculations also show that La, Ce, Pr, and Nd atoms all act as strong embrittlers with positive strengthening energies of 2.05 eV, 1.52 eV, 1.50 eV, and 1.64 eV, respectively, when located at their most stable sites. The embrittlement capability of four lanthanide elements can be determined by the atomic size and their magnetism characters. The present calculations are helpful for understanding the behavior of fission products La, Ce, Pr, and Nd in α-Fe.
基金Funded by Hubei Natural Science Foundation (No. 99J118).
文摘The emulsifiable conditions of composite collector(FP-2)inindustry are systematically re- searched in the paper. It is foundthat types of the emulsifiers, emulsification temperature, the mixedproportion of FP-2 to emulsifier are the important parametersaffecting emulsification effect rutile flotation targets. When Theproportion of FP-2 to emulsifier(E-4)is 100, by means ofemulsification of mechanical stirring, the rutile Flotation recoveryis 85.6/100 and the grade is 75.3/100, which approach the flotationtargets of FP-2 used as col- Lector by ultrasonic emulsificationunit.
文摘1. Introduction Supported by the Sino-German Center for Research Promotion, and organized jointly by the National Natural Science Foundation of China (NSFC) and the German Research Foundation (DFG), the third Sino-German workshop on particle fluid systems was held on Oct. 24-31, 2004 in Beijing, China, following the two previous successful workshops held on Aug. 30-31,1999 in Hamburg, Germany (Li and Werther, Chem. Eng. Technol., 23(4), 378, 2000) and May 18-19, 2001 in Beijing, China (Li, Ge, Werther and Bruhns, Chem. Eng. Technol., 24(11), 1097, 2001). Thirty-one scientists from China, Germany, Japan and The Netherlands came together for interdisciplinary discussion over the core problem of multi-phase reaction systems in the name of "Chemical and Physical Interactions between Particles and Fluids".
基金Project supported by National Natural Science Foundation of China(51204083,51374004,51104074,51174105,51306084)the Applied Basic Research Program of Yunnan Province(2012FD016)the Candidate Talents Training Fund of Yunnan Province(2012HB009)
文摘Chemical interaction of Ce-Fe mixed oxides was investigated in methane selective oxidation via methane temperature programmed reduction and methane isothermal reaction tests over Ce-Fe oxygen carriers. In methane temperature programmed reduction test, Ce-Fe oxide behaved complete oxidation at the lower temperature and selective oxidation at higher temperatures. Ce-Fe mixed oxides with the Fe content in the range of 0.1~）.5 was able to produce syngas with high selectivity in high-temperature range （800-900 ~C）, and a higher Fe amount over 0.5 seemed to depress the CO formation. In isothermal reaction, complete oxidation oc- curred at beginning following with selective oxidation later. Ce~_xFexO2~ oxygen carriers （x5_0.5） were proved to be suitable for the selective oxidation of methane. Ce-Fe mixed oxides had the well-pleasing reducibility with high oxygen releasing rate and CO selec- tivity due to the interaction between Ce and Fe species. Strong chemical interaction of Ce-Fe mixed oxides originated from both Fe＊ activated CeO2 and Ce3＋ activated iron oxides （FeOm）, and those chemical interaction greatly enhanced the oxygen mobility and selectivity.
基金Project supported by National Nuclear Technology Program of National Research Foundation (NRF)Ministry of Education, Science and Technology (MEST), Korean Government
文摘The intermetallic compounds formation at interface between rare earth elements and clad material were investigated to demonstrate the effects of rare earth elements on fuel-cladding chemical interaction （FCCI） behavior. Mischmetal （70Ce-30La） and Nd were prepared as rare earth elements. Diffusion couple testing was performed on the rare earth elements and cladding （9Cr2W steel） near the operation temperature of （sodium-cooled fast reactor） SFR fuel. The performance of a diffusion barrier consisting of Zr and V metallic foil against the rare earth elements was also evaluated. Our results showed that Ce and Nd in the rare earth elements and Fe in the clad material interdiffused and reacted to form intermetallic species according to the parabolic rate law, describing the migration of the rare earth element. The diffusion of Fe limited the reaction progress such that the entire process was governed by the cubic rate law. Rare earth materials could be used as a surrogate for high burnup metallic fuels, and the performance of the barrier material was demonstrated to be effective.
基金supported by the National Natural Science Foundation of China(No.81672440)Innovation Program of Science and Research from the DICP,CAS(No.DICP TMSR201601)the 100 Talents Program of Chinese Academy of Sciences
文摘Active endogenous metabolites regulate the viability of cells. This process is controlled by a series ofinteractions between small metabolites and large proteins. Previously, several studies had reported thatmetabolite regulates the protein functions, such as diacylglycerol to protein kinase C, lactose regulationof the lac repressor, and HIF-1α stabilization by 2-hydroxyglutarate. However, decades old traditionalbiochemical methods are insufficient to systematically investigate the bio-molecular reactions for a high-throughput discovery. Here, we have reviewed an update on the recently developed chemical proteomicscalled activity-based protein profiling （ABPP）. ABPP is able to identify proteins interacted eithercovalently or non-covalently with metabolites significantly. Thus, ABPP will facilitate the characteriza-tion of specific metabolite regulating; proteins in human disease progression.
基金supported by the National Natural Science Foundation of China(Nos.21674026,21574032,51573125,51573147,51803149,51973155,and 51633007(the State Key Program))the Sino-German Center for Research Promotion(No.GZ1286)the Chinese Academy of Sciences(No.121D11KYSB20170031).
文摘Two reported three-dimensional covalent organic frameworks(3D-COFs),COF-300 and COF-301,which have hierarchical porous structures and large pore volumes,were synthesized and employed as host materials for lithium-sulfur batteries.Owing to possessing excellent porosities as well as abundant hydroxyl groups in the pore walls,COF-301 can not only trap lithium polysulfides(PSs)via physical adsorption inside the pores,but also capture PSs by chemical interactions to relieve the shuttle effect.Interestingly,it is the first time that 3D-COFs were utilized as host materials for lithium-sulfur batteries as well as hydroxyl groups were introduced into COFs for improving the battery performance.As a result,COF-301@S as cathode material could reserve the capacity of 411.6 mA·h·g^-1 after 500 cycles with only 0.081%fading per cycle at 0.5 C,exhibiting better battery performance compared with COF-300@S.This study not only expands the applications of 3D-COFs but also provides a new route for designing lithium-sulfur batteries.
基金supported by China Postdoctoral Science Foundation(2020M671242 and 2021T140688)the Special Research Assistant program of CASthe Super Postdoctoral Fellow Program of Shanghai。
文摘Rationally designed heterostructures provide attractive prospects for energy storage electrodes by combining different active materials with distinct electrochemical properties.Herein,through a phase separation strategy,a heterostructure of SnO_(2) encapsulated by amorphous Nb_(2)O_(5) is spontaneously synthesized.Insertion-type anode Nb_(2)O_(5) outer shell,playing as reaction containers and fast ionic pathways,physically inhibits the Sn atoms’migration and enhances the reaction kinetics.Moreover,strong chemical interactions are found at the SnO_(2)/Nb_(2)O_(5) interfaces,which ensure the solid encapsulation of the SnO_(2) cores even after 500 cycles.When used for lithium-ion batteries,this heterostructured anode exhibits high cycling stability with a capacity of 626 mAhg^(-1) after 1000 cycles at 2Ag^(-1)(85% capacity retention)and good rate performance with the capacity of 340 mAhg^(-1) at 8Ag^(-1).
