Traditional polymeric photocatalysts are typically constructed using aromatic building blocks to enhanceπ-conjugation.However,their inherent hydrophobicity and rigid structure lead to poor dispersibility in aqueous s...Traditional polymeric photocatalysts are typically constructed using aromatic building blocks to enhanceπ-conjugation.However,their inherent hydrophobicity and rigid structure lead to poor dispersibility in aqueous solutions,resulting in significant optical losses and exciton recombination.In this study,two series of six novel polymer photocatalysts(FLUSO,FLUSO-PEG10,FLUSO-PEG30;CPDTSO,CPDTSO-PEG10,CPDTSO-PEG30)are designed and synthesized by incorporating the hydrophilic,non-conjugated polyethylene glycol(PEG)chain,into both the main and side chains of polymers.By precisely optimizing the ratio of hydrophilic PEG segments,the water dispersibility is significantly improved while the light absorption capability of the polymer photocatalysts is well maintained.The experimental results confirm that the optimized FLUSO-PEG10 exhibits excellent photocatalytic hydrogen evolution rate,reaching up to 33.9 mmol/(g·h),which is nearly three times higher than that of fullyπ-conjugated counterparts.Water contact angles and particle size analyses reveal that incorporating non-conjugated segments into the main chains enhances the capacitance of the polymer/water interface and reduces particle aggregation,leading to improved photocatalyst dispersion and enhanced charge generation.展开更多
Pb(Zr,Ti)O_(3)-Pb(Zn_(1/3)Nb_(2/3))O_(3) (PZT-PZN) based ceramics, as important piezoelectric materials, have a wide range of applications in fields such as sensors and actuators, thus the optimization of their piezoe...Pb(Zr,Ti)O_(3)-Pb(Zn_(1/3)Nb_(2/3))O_(3) (PZT-PZN) based ceramics, as important piezoelectric materials, have a wide range of applications in fields such as sensors and actuators, thus the optimization of their piezoelectric properties has been a hot research topic. This study investigated the effects of phase boundary engineering and domain engineering on (1-x)[0.8Pb(Zr_(0.5)Ti_(0.5))O_(3)-0.2Pb(Zn_(1/3)Nb_(2/3))O_(3)]-xBi(Zn_(0.5)Ti_(0.5))O_(3) ((1-x)(0.8PZT-0.2PZN)- xBZT) ceramic to obtain excellent piezoelectric properties. The crystal phase structure and microstructure of ceramic samples were characterized. The results showed that all samples had a pure perovskite structure, and the addition of BZT gradually increased the grain size. The addition of BZT caused a phase transition in ceramic samples from the morphotropic phase boundary (MPB) towards the tetragonal phase region, which is crucial for optimizing piezoelectric properties. By adjusting content of BZT and precisely controlling position of the phase boundary, the piezoelectric performance can be optimized. Domain structure is one of the key factors affecting piezoelectric performance. By using domain engineering techniques to optimize grain size and domain size, piezoelectric properties of ceramic samples have been significantly improved. Specifically, excellent piezoelectric properties (piezoelectric constant d_(33)=320 pC/N, electromechanical coupling factor kp=0.44) were obtained simultaneously for x=0.08. Based on experimental results and theoretical analysis, influence mechanisms of phase boundary engineering and domain engineering on piezoelectric properties were explored. The study shows that addition of BZT not only promotes grain growth, but also optimizes the domain structure, enabling the polarization reversal process easier, thereby improving piezoelectric properties. These research results not only provide new ideas for the design of high-performance piezoelectric ceramics, but also lay a theoretical foundation for development of related electronic devices.展开更多
Assessing the vulnerability of a platform is crucial in its design.In fact,the results obtained from vulnerability analyses provide valuable information,leading to precise design choices or corrective solutions that e...Assessing the vulnerability of a platform is crucial in its design.In fact,the results obtained from vulnerability analyses provide valuable information,leading to precise design choices or corrective solutions that enhance the platform's chances of surviving different scenarios.Such scenarios can involve various types of threats that can affect the platform's survivability.Among such,blast waves impacting the platform's structure represent critical conditions that have not yet been studied in detail.That is,frameworks for vulnerability assessment that can deal with blast loading have not been presented yet.In this context,this work presents a fast-running engineering tool that can quantify the risk that a structure fails when it is subjected to blast loading from the detonation of high explosive-driven threats detonating at various distances from the structure itself.The tool has been implemented in an in-house software that calculates vulnerability to various impacting objects,and its capabilities have been shown through a simplified,yet realistic,case study.The novelty of this research lies in the development of an integrated computational environment capable of calculating the platform's vulnerability to blast waves,without the need for running expensive finite element simulations.In fact,the proposed tool is fully based on analytical models integrated with a probabilistic approach for vulnerability calculation.展开更多
5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,6-dioxide(CL-18)exhibits significant potential as an initiating explosive.However,its current synthesis process remains non-scalable due to low yields and ...5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,6-dioxide(CL-18)exhibits significant potential as an initiating explosive.However,its current synthesis process remains non-scalable due to low yields and safety risks.In this study,we have developed a simple and safe synthetic route for CL-18.It was synthesized from 3,5-dihaloanisole in a four-step reaction with an overall yield exceeding 60%,surpassing all reported yields in the literature.Subsequently,recrystallization of CL-18 was successfully achieved by carefully selecting appropriate solvents and antisolvents to reduce its mechanical sensitivity.Ultimately,when DMF-ethanol was employed as the recrystallization solvent system,satisfactory product yield(>90%)and reduced mechanical sensitivity(IS=15 J;FS=216 N)were obtained.Additionally,CL-18 is derived from the rearrangement of oxygen atoms on i-CL-18 furoxan,and a comparative analysis of their physicochemical properties was conducted.The thermal stability of both compounds is similar,with onset decomposition temperatures recorded at 186 and 182℃respectively.Similarly,they exhibit 5 s breaking point temperatures of 236 and 237℃.Additionally,we present novel insights into the positional-isomerization-laser-ignition performance of CL-18 and its isomer i-CL-18 using laser irradiation for the first time.Remarkably,our findings demonstrate that i-CL-18 exhibits enhanced laser sensitivity,as it can be directly ignited by a 1064 nm wavelength laser,whereas CL-18 lacks this characteristic.展开更多
Interface engineering is widely employed to enhance the performance of formamidinium lead triiodide(FAPbI_(3))perovskite solar cells.In this study,six different FAPbI_(3)/PbX(X=S,Se and Te)heterostructures are constru...Interface engineering is widely employed to enhance the performance of formamidinium lead triiodide(FAPbI_(3))perovskite solar cells.In this study,six different FAPbI_(3)/PbX(X=S,Se and Te)heterostructures are constructed,including the PbI interface and I interface perovskite.In addition,the lead vacancies(V-Pb)and iodine vacancies(V-I)are designed at the perovskite interface.The results show that the PbI interface is more stable than I interface in the heterostructures.The PbX covering layer on the surface of the FAPbI_(3) perovskite stabilizes the perovskite octahedral structure by interface interactions and charge reconstruction that are beneficial to passivate perovskite interface defects and inhibit the phase transition.It shows that the PbTe covering layer exhibits the best passivation effect for lead vacancy defects,while PbS covering layer shows the best passivation effect for iodine vacancy defects.Additionally,appropriate structural stress can strengthen the thermal stability of defective perovskite.This work reveals the FAPbI_(3)/PbX interface engineering,and offers new insights into effectively passivating defects and improving the stability of FAPbI_(3).展开更多
In many practical structures, physical parameters of material and applied loads have random property.To optimize this kind of structures,an optimum mathematical model was built.This model has reliability constraints o...In many practical structures, physical parameters of material and applied loads have random property.To optimize this kind of structures,an optimum mathematical model was built.This model has reliability constraints on dynamic stress and displacement and upper & lower limits of the design variables. The numerical characteristic of dynamic response and sensitivity of dynamic response based on probability of structure were deduced respectively. By equivalent disposing, the reliability constraints were changed into conventional forms. The SUMT method was used in the optimization process.Two examples illustrate the correctness and practicability of the optimum model and solving approach.展开更多
文摘Traditional polymeric photocatalysts are typically constructed using aromatic building blocks to enhanceπ-conjugation.However,their inherent hydrophobicity and rigid structure lead to poor dispersibility in aqueous solutions,resulting in significant optical losses and exciton recombination.In this study,two series of six novel polymer photocatalysts(FLUSO,FLUSO-PEG10,FLUSO-PEG30;CPDTSO,CPDTSO-PEG10,CPDTSO-PEG30)are designed and synthesized by incorporating the hydrophilic,non-conjugated polyethylene glycol(PEG)chain,into both the main and side chains of polymers.By precisely optimizing the ratio of hydrophilic PEG segments,the water dispersibility is significantly improved while the light absorption capability of the polymer photocatalysts is well maintained.The experimental results confirm that the optimized FLUSO-PEG10 exhibits excellent photocatalytic hydrogen evolution rate,reaching up to 33.9 mmol/(g·h),which is nearly three times higher than that of fullyπ-conjugated counterparts.Water contact angles and particle size analyses reveal that incorporating non-conjugated segments into the main chains enhances the capacitance of the polymer/water interface and reduces particle aggregation,leading to improved photocatalyst dispersion and enhanced charge generation.
基金National Natural Science Foundation of China (52202139, 52072178)。
文摘Pb(Zr,Ti)O_(3)-Pb(Zn_(1/3)Nb_(2/3))O_(3) (PZT-PZN) based ceramics, as important piezoelectric materials, have a wide range of applications in fields such as sensors and actuators, thus the optimization of their piezoelectric properties has been a hot research topic. This study investigated the effects of phase boundary engineering and domain engineering on (1-x)[0.8Pb(Zr_(0.5)Ti_(0.5))O_(3)-0.2Pb(Zn_(1/3)Nb_(2/3))O_(3)]-xBi(Zn_(0.5)Ti_(0.5))O_(3) ((1-x)(0.8PZT-0.2PZN)- xBZT) ceramic to obtain excellent piezoelectric properties. The crystal phase structure and microstructure of ceramic samples were characterized. The results showed that all samples had a pure perovskite structure, and the addition of BZT gradually increased the grain size. The addition of BZT caused a phase transition in ceramic samples from the morphotropic phase boundary (MPB) towards the tetragonal phase region, which is crucial for optimizing piezoelectric properties. By adjusting content of BZT and precisely controlling position of the phase boundary, the piezoelectric performance can be optimized. Domain structure is one of the key factors affecting piezoelectric performance. By using domain engineering techniques to optimize grain size and domain size, piezoelectric properties of ceramic samples have been significantly improved. Specifically, excellent piezoelectric properties (piezoelectric constant d_(33)=320 pC/N, electromechanical coupling factor kp=0.44) were obtained simultaneously for x=0.08. Based on experimental results and theoretical analysis, influence mechanisms of phase boundary engineering and domain engineering on piezoelectric properties were explored. The study shows that addition of BZT not only promotes grain growth, but also optimizes the domain structure, enabling the polarization reversal process easier, thereby improving piezoelectric properties. These research results not only provide new ideas for the design of high-performance piezoelectric ceramics, but also lay a theoretical foundation for development of related electronic devices.
文摘Assessing the vulnerability of a platform is crucial in its design.In fact,the results obtained from vulnerability analyses provide valuable information,leading to precise design choices or corrective solutions that enhance the platform's chances of surviving different scenarios.Such scenarios can involve various types of threats that can affect the platform's survivability.Among such,blast waves impacting the platform's structure represent critical conditions that have not yet been studied in detail.That is,frameworks for vulnerability assessment that can deal with blast loading have not been presented yet.In this context,this work presents a fast-running engineering tool that can quantify the risk that a structure fails when it is subjected to blast loading from the detonation of high explosive-driven threats detonating at various distances from the structure itself.The tool has been implemented in an in-house software that calculates vulnerability to various impacting objects,and its capabilities have been shown through a simplified,yet realistic,case study.The novelty of this research lies in the development of an integrated computational environment capable of calculating the platform's vulnerability to blast waves,without the need for running expensive finite element simulations.In fact,the proposed tool is fully based on analytical models integrated with a probabilistic approach for vulnerability calculation.
基金support from the National Natural Science Foundation of China(Grant No.22175160)the Science Challenge Project(Grant No.TZ2018004)。
文摘5-amino-4-nitrobenzo[1,2-c:3,4-c']bis([1,2,5]oxadiazole)1,6-dioxide(CL-18)exhibits significant potential as an initiating explosive.However,its current synthesis process remains non-scalable due to low yields and safety risks.In this study,we have developed a simple and safe synthetic route for CL-18.It was synthesized from 3,5-dihaloanisole in a four-step reaction with an overall yield exceeding 60%,surpassing all reported yields in the literature.Subsequently,recrystallization of CL-18 was successfully achieved by carefully selecting appropriate solvents and antisolvents to reduce its mechanical sensitivity.Ultimately,when DMF-ethanol was employed as the recrystallization solvent system,satisfactory product yield(>90%)and reduced mechanical sensitivity(IS=15 J;FS=216 N)were obtained.Additionally,CL-18 is derived from the rearrangement of oxygen atoms on i-CL-18 furoxan,and a comparative analysis of their physicochemical properties was conducted.The thermal stability of both compounds is similar,with onset decomposition temperatures recorded at 186 and 182℃respectively.Similarly,they exhibit 5 s breaking point temperatures of 236 and 237℃.Additionally,we present novel insights into the positional-isomerization-laser-ignition performance of CL-18 and its isomer i-CL-18 using laser irradiation for the first time.Remarkably,our findings demonstrate that i-CL-18 exhibits enhanced laser sensitivity,as it can be directly ignited by a 1064 nm wavelength laser,whereas CL-18 lacks this characteristic.
基金Projects(51673214,62004225)supported by the National Natural Science Foundation of ChinaProject(2022YFB3803300)supported by the National Key Research and Development Program of ChinaProject(2024ZZTS0776)supported by the Key Innovation Project of Graduate of Central South University,China。
文摘Interface engineering is widely employed to enhance the performance of formamidinium lead triiodide(FAPbI_(3))perovskite solar cells.In this study,six different FAPbI_(3)/PbX(X=S,Se and Te)heterostructures are constructed,including the PbI interface and I interface perovskite.In addition,the lead vacancies(V-Pb)and iodine vacancies(V-I)are designed at the perovskite interface.The results show that the PbI interface is more stable than I interface in the heterostructures.The PbX covering layer on the surface of the FAPbI_(3) perovskite stabilizes the perovskite octahedral structure by interface interactions and charge reconstruction that are beneficial to passivate perovskite interface defects and inhibit the phase transition.It shows that the PbTe covering layer exhibits the best passivation effect for lead vacancy defects,while PbS covering layer shows the best passivation effect for iodine vacancy defects.Additionally,appropriate structural stress can strengthen the thermal stability of defective perovskite.This work reveals the FAPbI_(3)/PbX interface engineering,and offers new insights into effectively passivating defects and improving the stability of FAPbI_(3).
文摘基于文献计量方法,利用Scifinder Web数据库,从年发文量、研究机构、索引词、被引文献和施引文献等不同角度对《化工学报》、AICh E Journal、Chemical Engineering Science(CES)和Industrial&Engineering Chemistry Research(IECR)4个国内外主流化工期刊近20年(1996—2015年)发表的49565篇文献,进行了较为全面的探讨,以期为我国化工学科"双一流"建设及同类期刊的发展提供借鉴和参考。中国机构在国际期刊上日益增多的发文量和上升的发文机构排名,显示了近年来国内化工科研强劲的发展势头和国际影响力。同时,国内各机构化工学科的学术研究日益活跃,高水平学术论文成果的产出仅仅集中于少数顶尖科研机构的现象有所变化。《化工学报》与三大主流期刊AICh E Journal、CES和IECR的发文重点及热点基本一致。近10年(2006—2015年),中国机构在"聚合物形态"、"离子液体"、"纳米颗粒"等方面对三大国际期刊发文有较大的贡献。
文摘In many practical structures, physical parameters of material and applied loads have random property.To optimize this kind of structures,an optimum mathematical model was built.This model has reliability constraints on dynamic stress and displacement and upper & lower limits of the design variables. The numerical characteristic of dynamic response and sensitivity of dynamic response based on probability of structure were deduced respectively. By equivalent disposing, the reliability constraints were changed into conventional forms. The SUMT method was used in the optimization process.Two examples illustrate the correctness and practicability of the optimum model and solving approach.
