Research on allergy has recently uncovered an apparent co-occurrence of allergies in skin and the lungs, a phenomenon that has been coined “atopic march”. A positive correlation has been found between gut microbiota...Research on allergy has recently uncovered an apparent co-occurrence of allergies in skin and the lungs, a phenomenon that has been coined “atopic march”. A positive correlation has been found between gut microbiota at birth and the development of asthma and skin eczema later in life. Chinese medicine has long described a functional relationship between the large intestine and the lungs, and between the lungs and skin. In this short article, we examined the evidence in support of these inter-organ physiological/pathological relationships. In addition to the clinical observation of the relationship between the composition of gut microbiota at birth and the development of asthma later in childhood, gut microorganisms have also been shown to exert a protective effect on bacteria-induced pneumonia in experimental animals. Genetic predisposition was also found to play an important role in the co-existence of certain diseases of lung and skin. Despite the fact that the mechanism(s) underlying the connection of immune systems between two organs (such as the large intestine and the lungs) is still not clearly understood, it is the first time to correlate the relationship among gut, lung and skin based on recent clinical studies in relation to the Zang-Fu Theory in Chinese medicine. Future investigation of the gut-lung and lung-skin axes in terms of physiological/pathological relationships may help to provide a greater understanding of the pathogenesis of allergies, possibly establishing relevance to the Zang-Fu Theory in Chinese medicine.展开更多
Advancing the application of safety and health(S&H)technologies is likely to remain a value in the mining industry.However,any information that technologies generate must be translated from the organization to the...Advancing the application of safety and health(S&H)technologies is likely to remain a value in the mining industry.However,any information that technologies generate must be translated from the organization to the workforce in a targeted way to result in sustainable change.Using a case study approach with continuous personal dust monitors(CPDMs),this paper argues for an organizational focus on technology integration.Although CPDMs provide mineworkers with near real-time feedback about their respirable coal dust exposure,they do not ensure that workers or the organization will continuously use the information to learn about and reduce exposure sources.This study used self-determination theory(SDT)to help three mines manage and communicate about information learned from the CPDM technology.Specifically,35 mineworkers participated in two mixed-method data collection efforts to discuss why they do or do not use CPDMs to engage in dust-reducing practices.Subsequently,the data was analyzed to better understand how organizations can improve the integration of technology through their management systems.Results indicate that using the CPDM to reduce sources of dust exposure is consistent with mineworkers’self-values to protect their health and not necessarily because of compliance to a manager or mine.展开更多
We investigate the thermal characteristics of standard organic light-emitting diodes (OLEDs) using a simple and clear 1D thermal model based on the basic heat transfer theory. The thermal model can accurately estima...We investigate the thermal characteristics of standard organic light-emitting diodes (OLEDs) using a simple and clear 1D thermal model based on the basic heat transfer theory. The thermal model can accurately estimate the device temperature, which is linearly with electrical input power. The simulation results show that there is almost no temperature gradient within the OLED device working under steady state conditions. Furthermore, thermal analysis simulation results show that the surface properties (convective heat transfer coetficient and surface emissivity) of the substrate or cathode can significantly affect the temperature distribution of the OLED.展开更多
The selection of photoactive layer materials for organic solar cells(OSCs) is essential for the photoelectric conversion process.It is well known that chlorophyll is an abundant pigment in nature and is extremely valu...The selection of photoactive layer materials for organic solar cells(OSCs) is essential for the photoelectric conversion process.It is well known that chlorophyll is an abundant pigment in nature and is extremely valuable for photosynthesis.However,there is little research on how to improve the efficiency of chlorophyll-based OSCs by matching chlorophyll derivatives with excellent non-fullerene acceptors to form heterojunctions.Therefore in this study we utilize a chlorophyll derivative,Ce_(6)Me_(3),as a donor material and investigate the performance of its heterojunction with acceptor materials.Through density functional theory,the photoelectric performances of acceptors,i ncluding the fullerene derivative PC_(71)BM and the terminal halogenated non-fullerene DTBCIC series,are compared in detail.It is found that DTBCIC-C1 has better planarity,light absorption,electron affinity,charge reorganization energy and charge mobility than others.Ce_(6)Me_(3) has good energy level matching and absorption spectral complementarity with the investigated acceptor molecules and also shows good electron donor properties.Furthermore,the designed Ce_(6)Me_(3)/DTBCIC interfaces have improved charge separation and reorganization rates(K_(CS)/K_(CR)) compared with the Ce_(6)Me_(3)/PC_(71)BM interface.This research provides a theoretical basis for the design of photoactive layer materials for chlorophyll-based OSCs.展开更多
It is generally cousidered that the mantle creep-flow eurtent is the most important internal cause for erustobody evolution. In fact, the Cause, mantle creep-now current takes place just beneath erustobody. Aeeording ...It is generally cousidered that the mantle creep-flow eurtent is the most important internal cause for erustobody evolution. In fact, the Cause, mantle creep-now current takes place just beneath erustobody. Aeeording to the principle that internal causes of a tning determine its development and evolution, a special attetion should be paid to the basic causea of crustobody evolution. Vnder the guidance of the unbalanced self-organization theory, the authors elueidate that the crustobody system is a far-away thermal balaneed system and an open system, and thete are nonlinear interactions between the essentials, positive feedbacks and frequent fluetuation in the erustobody system. Finally, the following conelusions are drawn: the nonlinear interactions in the erustobody system are the basic formation (main internal cause) for erustobody evolution ; Substance and energy gained from surroundings are the basic conditions (main external cause) of crustobody evolution;and the fluctuations theide the erustobody system are the direct induetive cause of its evolution.展开更多
Based on density functional theory (DFT) calculations, we investigate the spin-related properties of spinless-hole injected organic molecule pentacene (Pc). DFT calculations reveal that there is spontaneous spin p...Based on density functional theory (DFT) calculations, we investigate the spin-related properties of spinless-hole injected organic molecule pentacene (Pc). DFT calculations reveal that there is spontaneous spin polarization in Pc when spinless-hole is injected. The chargeinduced magnetic moment of Pc increases linearly with the increasing of the extra hole charge amount and its maximum can be up to 1 μB per injected spinless-hole per Pc molecule. The magnetic moment is expected due to the injected unpaired charge. The injected hole will preferably ll the spin-splitted carbon pz orbitals, which makes the Pc molecule spin polarize.展开更多
Separation of ethane from ethylene is a very important but challenging process in the petrochemical industry.Finding an alternative method would reduce the energy needed to make 170 million tons of ethylene manufactur...Separation of ethane from ethylene is a very important but challenging process in the petrochemical industry.Finding an alternative method would reduce the energy needed to make 170 million tons of ethylene manufactured worldwide each year.Adsorptive separation using C2H6-selective porous materials to directly produce high-purity C2H4 is more energy-efficient.We herein report the"reversed C2H6/C2H4 adsorption"in a metal–organic framework Cr-BTC via the introduction of oxygen on its open metal sites.The oxidized Cr-BTC(O2)can bind C2H6 over C2H4 through the active Cr-superoxo sites,which was elucidated by the gas sorption isotherms and density functional theory calculations.This material thus exhibits a good performance for the separation of 50/50 C2H6/C2H4 mixtures to produce 99.99%pure C2H4 in a single separation operation.展开更多
Organic solar cells with inverted planar heterojunction structure based on subphthalocya- nine and C60 were fabricated using several kinds of materials as cathode buffer layer (CBL), including tris-8-hydroxy-quinoli...Organic solar cells with inverted planar heterojunction structure based on subphthalocya- nine and C60 were fabricated using several kinds of materials as cathode buffer layer (CBL), including tris-8-hydroxy-quinolinato aluminum (Alq3), bathophenanthroline (Bphen), bathocuproine, 2,3,8,9,14,15-hexakis-dodecyl-sulfanyl-5,6,11,12,17,18-hexaazatrinaphthylene (HATNA), and an inorganic compound of Cs2CO3. The influence of the lowest unoccupied molecular orbital level and the electron mobility of organic CBL on the solar cells perfor- mance was compared. The results showed that Alq3, Bphen, and HATNA could significantly improve the device performance. The highest efficiency was obtained from device with an- nealed HATNA as CBL and increased for more than 7 times compared with device without CBL. Furthermore~ the simulation results with space charge-limited current theory indicated that the Schottky barrier at the organic/electrode interface in inverted OSC structure was reduced for 27% by inserting HATNA CBL.展开更多
Raising ecological awareness and health concerns create question marks about healthiness and sustainability of conventional foods in customers' minds. Due to augmented mass media coverage of environmental problems, h...Raising ecological awareness and health concerns create question marks about healthiness and sustainability of conventional foods in customers' minds. Due to augmented mass media coverage of environmental problems, health concerns related to consumption of genetically modified food and/or chemical contaminants in food, and consumers' increasing interest in healthy nutrition and environmental protection, there is a growing interest for organic foods in all over the world. Growing interest for organic foods, and increasing production and demand in organic food market has made organic food consumption a significant topic of research. Although organic food market and demand for organic foods have also been growing in Turkey, literature regarding organic food consumption is not very extensive. Therefore, this study aims to understand the underlying motives for organic food consumption in Turkey, and to explore the factors affecting Turkish consumers' attitudes towards organic foods and the behavioral intention of Turkish consumers to purchase organic food by the help of the theory of reasoned action (TRA). The results of 622 successful surveys used for this empirical research indicate that Turkish consumers' attitudes towards organic foods are determined by perception of organic foods, consumer values, and price perception, while their purchase intention is determined by health consciousness, perception of organic foods, consumer values, price perception, and environmental concerns.展开更多
Inadequate rural financial services and low service efficiency lead to the situation that a large sum of money flows from rural areas to urban areas through commercial banks. The situation goes against the development...Inadequate rural financial services and low service efficiency lead to the situation that a large sum of money flows from rural areas to urban areas through commercial banks. The situation goes against the development of rural production and causes the extreme lack of rural capital, the difficuties in loaning and the prevalence of uaurious loan. In view of the problems exsited in rural financial system, the rural financial developmental trend, rural gross production, rural financial scale and rural financial efficiency from 1983 to 2008 are empirically analyzed by using the Pagano model in endogenous growth theory. The research assumes that, rural financial scale has positive relation with rural economic output, that is to say, the expansion of rural fiancial scale can facilitate the development of rural economy; the rural financial efficiency has negative relation with rural economic development. In Chinese rural areas, the economic development still relies on the expansion of rural fianance. However, at the same time of increasing the financial scale, the efficiency of rural finance is deceasing gradually. Thus, the support of rural finance on rural economic growth lies at the low level. Therefore, in view of the basic rerequisite of rural economic development, two solutions are adopted and Japanese and Kereaon experince are used. The measures are as follows. First, conducting organization innovation through promoting new village construction and gathering dispersed farmers to form rural cooperative organization to reduce trasaction cost. Second, transforming financial support from exogeneity to endogenity and marketizing rural finance so as to effectively solve the efficiency of rural finance.展开更多
The purpose of this study is to determine the properties of the solvents responsible of the chromatographic phenomenon. A simple and homogeneous system of ascending chromatography on paper is described, allowing varyi...The purpose of this study is to determine the properties of the solvents responsible of the chromatographic phenomenon. A simple and homogeneous system of ascending chromatography on paper is described, allowing varying only one of the factors constituting it. This method made it possible to determine constants by means of a simple equation. The validity of the method is deduced from the good agreement between its mathematical expression and the experimental values obtained.展开更多
Symmetric covalent organic framework(COF)photocatalysts generally suffer from inefficient charge separation and short-lived photoexcited states.By performing density functional theory(DFT)and time-dependent density fu...Symmetric covalent organic framework(COF)photocatalysts generally suffer from inefficient charge separation and short-lived photoexcited states.By performing density functional theory(DFT)and time-dependent density functional theory(TDDFT)calculations,we find that partial substitution with one or two substituents(N or NH_(2))in the linkage of the representative symmetric COF(N_(0)-COF)gives rise to the separation of charge carriers in the resulting COFs(i.e.,N_(1)-COF,N_(2)-COF,(NH_(2))1-N_(0)-COF,and(NH_(2))2-N_(0)-COF).Moreover,we also find that the energy levels of the highest occupied crystal orbital(HOCO)and the lowest unoccupied crystal orbital(LUCO)of the N_(0)-COF can shift away from or toward the vacuum level,depending on the electron-withdrawing or electron-donating characters of the substituent.Therefore,we propose that partial substitution with carefully chosen electron-withdrawing or electron-donating substituents in the linkages of symmetric COFs can lead to efficient charge separation as well as appropriate HOCO and LUCO positions of the generated COFs for specific photocatalytic reactions.The proposed rule can be utilized to further boost the photocatalytic performance of many symmetric COFs.展开更多
Highly luminescent bulk two-dimensional covalent organic frameworks(COFs)attract much attention recently.Origin of their luminescence and their large Stokes shift is an open question.After first-principles calculation...Highly luminescent bulk two-dimensional covalent organic frameworks(COFs)attract much attention recently.Origin of their luminescence and their large Stokes shift is an open question.After first-principles calculations on two kinds of COFs using the GW method and Bethe-Salpeter equation,we find that monolayer COF has a direct band gap,while bulk COF is an indirect band-gap material.The calculated optical gap and optical absorption spectrum for the direct excitons of bulk COF agree with the experiment.However,the calculated energy of the indirect exciton,in which the photoelectron and the hole locate at the conduction band minimum and the valence band maximum of bulk COF respectively,is too low compared to the fluorescence spectrum in experiment.This may exclude the possible assistance of phonons in the luminescence of bulk COF.Luminescence of bulk COF might result from exciton recombination at the defects sites.The indirect band-gap character of bulk COF originates from its AA-stacked conformation.If the conformation is changed to the AB-stacked one,the band gap of COF becomes direct which may enhance the luminescence.展开更多
Latour combines“the anthropocene”and“the Gaia Hypothesis”and comes up with his Gaia Theory:On the one hand,Latour believes that humans will be an important force in regulating the earth system;on the other hand,La...Latour combines“the anthropocene”and“the Gaia Hypothesis”and comes up with his Gaia Theory:On the one hand,Latour believes that humans will be an important force in regulating the earth system;on the other hand,Latour puts forward his own“relational ethics”,arguing that all laws or rules that Gaia follows should be realized through the interaction of actors,and“the parliament of things”can unify the domain of necessity and the domain of freedom and turn the opposition between fact and value into the difference between“taking into account”and“arranging in rank order”.His position of“relational ethics”alleviates the opposition between social construction orientation and naturalism orientation in ecological ethics.The mechanisms and principles proposed by“the parliament of things”are of great value in ecological ethics,but they are faced with problems,such as the effectiveness of representatives and whether the parliament can achieve substantial outcomes.The idea of“community of shared future for mankind”,as a Chinese plan for ecological governance,can provide new ideas for solving the above problems of“the parliament of things”.展开更多
文摘Research on allergy has recently uncovered an apparent co-occurrence of allergies in skin and the lungs, a phenomenon that has been coined “atopic march”. A positive correlation has been found between gut microbiota at birth and the development of asthma and skin eczema later in life. Chinese medicine has long described a functional relationship between the large intestine and the lungs, and between the lungs and skin. In this short article, we examined the evidence in support of these inter-organ physiological/pathological relationships. In addition to the clinical observation of the relationship between the composition of gut microbiota at birth and the development of asthma later in childhood, gut microorganisms have also been shown to exert a protective effect on bacteria-induced pneumonia in experimental animals. Genetic predisposition was also found to play an important role in the co-existence of certain diseases of lung and skin. Despite the fact that the mechanism(s) underlying the connection of immune systems between two organs (such as the large intestine and the lungs) is still not clearly understood, it is the first time to correlate the relationship among gut, lung and skin based on recent clinical studies in relation to the Zang-Fu Theory in Chinese medicine. Future investigation of the gut-lung and lung-skin axes in terms of physiological/pathological relationships may help to provide a greater understanding of the pathogenesis of allergies, possibly establishing relevance to the Zang-Fu Theory in Chinese medicine.
文摘Advancing the application of safety and health(S&H)technologies is likely to remain a value in the mining industry.However,any information that technologies generate must be translated from the organization to the workforce in a targeted way to result in sustainable change.Using a case study approach with continuous personal dust monitors(CPDMs),this paper argues for an organizational focus on technology integration.Although CPDMs provide mineworkers with near real-time feedback about their respirable coal dust exposure,they do not ensure that workers or the organization will continuously use the information to learn about and reduce exposure sources.This study used self-determination theory(SDT)to help three mines manage and communicate about information learned from the CPDM technology.Specifically,35 mineworkers participated in two mixed-method data collection efforts to discuss why they do or do not use CPDMs to engage in dust-reducing practices.Subsequently,the data was analyzed to better understand how organizations can improve the integration of technology through their management systems.Results indicate that using the CPDM to reduce sources of dust exposure is consistent with mineworkers’self-values to protect their health and not necessarily because of compliance to a manager or mine.
基金Supported by the National Natural Science Foundation of China under Grant No 11304247the Shaanxi Provincial Research Plan for Young Scientific and Technological New Stars(No 2015KJXX-40)the Youth Foundation of Xi’an University of Post&Telecommunication under Grant Nos 1011215 and 1010473
文摘We investigate the thermal characteristics of standard organic light-emitting diodes (OLEDs) using a simple and clear 1D thermal model based on the basic heat transfer theory. The thermal model can accurately estimate the device temperature, which is linearly with electrical input power. The simulation results show that there is almost no temperature gradient within the OLED device working under steady state conditions. Furthermore, thermal analysis simulation results show that the surface properties (convective heat transfer coetficient and surface emissivity) of the substrate or cathode can significantly affect the temperature distribution of the OLED.
基金Project supported by the National Natural Science Foundation of China (Grant Nos. 12074059, 11974152, and 11404055)Heilongjiang Postdoctoral Fund (Grant No. LBH-Q21061)。
文摘The selection of photoactive layer materials for organic solar cells(OSCs) is essential for the photoelectric conversion process.It is well known that chlorophyll is an abundant pigment in nature and is extremely valuable for photosynthesis.However,there is little research on how to improve the efficiency of chlorophyll-based OSCs by matching chlorophyll derivatives with excellent non-fullerene acceptors to form heterojunctions.Therefore in this study we utilize a chlorophyll derivative,Ce_(6)Me_(3),as a donor material and investigate the performance of its heterojunction with acceptor materials.Through density functional theory,the photoelectric performances of acceptors,i ncluding the fullerene derivative PC_(71)BM and the terminal halogenated non-fullerene DTBCIC series,are compared in detail.It is found that DTBCIC-C1 has better planarity,light absorption,electron affinity,charge reorganization energy and charge mobility than others.Ce_(6)Me_(3) has good energy level matching and absorption spectral complementarity with the investigated acceptor molecules and also shows good electron donor properties.Furthermore,the designed Ce_(6)Me_(3)/DTBCIC interfaces have improved charge separation and reorganization rates(K_(CS)/K_(CR)) compared with the Ce_(6)Me_(3)/PC_(71)BM interface.This research provides a theoretical basis for the design of photoactive layer materials for chlorophyll-based OSCs.
文摘It is generally cousidered that the mantle creep-flow eurtent is the most important internal cause for erustobody evolution. In fact, the Cause, mantle creep-now current takes place just beneath erustobody. Aeeording to the principle that internal causes of a tning determine its development and evolution, a special attetion should be paid to the basic causea of crustobody evolution. Vnder the guidance of the unbalanced self-organization theory, the authors elueidate that the crustobody system is a far-away thermal balaneed system and an open system, and thete are nonlinear interactions between the essentials, positive feedbacks and frequent fluetuation in the erustobody system. Finally, the following conelusions are drawn: the nonlinear interactions in the erustobody system are the basic formation (main internal cause) for erustobody evolution ; Substance and energy gained from surroundings are the basic conditions (main external cause) of crustobody evolution;and the fluctuations theide the erustobody system are the direct induetive cause of its evolution.
文摘Based on density functional theory (DFT) calculations, we investigate the spin-related properties of spinless-hole injected organic molecule pentacene (Pc). DFT calculations reveal that there is spontaneous spin polarization in Pc when spinless-hole is injected. The chargeinduced magnetic moment of Pc increases linearly with the increasing of the extra hole charge amount and its maximum can be up to 1 μB per injected spinless-hole per Pc molecule. The magnetic moment is expected due to the injected unpaired charge. The injected hole will preferably ll the spin-splitted carbon pz orbitals, which makes the Pc molecule spin polarize.
基金the financial support from the National Natural Science Foundation of China(Nos.21606163 and 21878205)Coal Bed Methane Joint Foundation of Shanxi(2016012006)+2 种基金Foundation of State Key Laboratory of Coal Conversion(J18-19-610)Welch Foundation(grant AX-1730)the Distinguished Scientist Fellowship Program(DSFP)at KSU.
文摘Separation of ethane from ethylene is a very important but challenging process in the petrochemical industry.Finding an alternative method would reduce the energy needed to make 170 million tons of ethylene manufactured worldwide each year.Adsorptive separation using C2H6-selective porous materials to directly produce high-purity C2H4 is more energy-efficient.We herein report the"reversed C2H6/C2H4 adsorption"in a metal–organic framework Cr-BTC via the introduction of oxygen on its open metal sites.The oxidized Cr-BTC(O2)can bind C2H6 over C2H4 through the active Cr-superoxo sites,which was elucidated by the gas sorption isotherms and density functional theory calculations.This material thus exhibits a good performance for the separation of 50/50 C2H6/C2H4 mixtures to produce 99.99%pure C2H4 in a single separation operation.
文摘Organic solar cells with inverted planar heterojunction structure based on subphthalocya- nine and C60 were fabricated using several kinds of materials as cathode buffer layer (CBL), including tris-8-hydroxy-quinolinato aluminum (Alq3), bathophenanthroline (Bphen), bathocuproine, 2,3,8,9,14,15-hexakis-dodecyl-sulfanyl-5,6,11,12,17,18-hexaazatrinaphthylene (HATNA), and an inorganic compound of Cs2CO3. The influence of the lowest unoccupied molecular orbital level and the electron mobility of organic CBL on the solar cells perfor- mance was compared. The results showed that Alq3, Bphen, and HATNA could significantly improve the device performance. The highest efficiency was obtained from device with an- nealed HATNA as CBL and increased for more than 7 times compared with device without CBL. Furthermore~ the simulation results with space charge-limited current theory indicated that the Schottky barrier at the organic/electrode interface in inverted OSC structure was reduced for 27% by inserting HATNA CBL.
文摘Raising ecological awareness and health concerns create question marks about healthiness and sustainability of conventional foods in customers' minds. Due to augmented mass media coverage of environmental problems, health concerns related to consumption of genetically modified food and/or chemical contaminants in food, and consumers' increasing interest in healthy nutrition and environmental protection, there is a growing interest for organic foods in all over the world. Growing interest for organic foods, and increasing production and demand in organic food market has made organic food consumption a significant topic of research. Although organic food market and demand for organic foods have also been growing in Turkey, literature regarding organic food consumption is not very extensive. Therefore, this study aims to understand the underlying motives for organic food consumption in Turkey, and to explore the factors affecting Turkish consumers' attitudes towards organic foods and the behavioral intention of Turkish consumers to purchase organic food by the help of the theory of reasoned action (TRA). The results of 622 successful surveys used for this empirical research indicate that Turkish consumers' attitudes towards organic foods are determined by perception of organic foods, consumer values, and price perception, while their purchase intention is determined by health consciousness, perception of organic foods, consumer values, price perception, and environmental concerns.
基金Supported by National Natural Science Foundation (70901034)
文摘Inadequate rural financial services and low service efficiency lead to the situation that a large sum of money flows from rural areas to urban areas through commercial banks. The situation goes against the development of rural production and causes the extreme lack of rural capital, the difficuties in loaning and the prevalence of uaurious loan. In view of the problems exsited in rural financial system, the rural financial developmental trend, rural gross production, rural financial scale and rural financial efficiency from 1983 to 2008 are empirically analyzed by using the Pagano model in endogenous growth theory. The research assumes that, rural financial scale has positive relation with rural economic output, that is to say, the expansion of rural fiancial scale can facilitate the development of rural economy; the rural financial efficiency has negative relation with rural economic development. In Chinese rural areas, the economic development still relies on the expansion of rural fianance. However, at the same time of increasing the financial scale, the efficiency of rural finance is deceasing gradually. Thus, the support of rural finance on rural economic growth lies at the low level. Therefore, in view of the basic rerequisite of rural economic development, two solutions are adopted and Japanese and Kereaon experince are used. The measures are as follows. First, conducting organization innovation through promoting new village construction and gathering dispersed farmers to form rural cooperative organization to reduce trasaction cost. Second, transforming financial support from exogeneity to endogenity and marketizing rural finance so as to effectively solve the efficiency of rural finance.
文摘The purpose of this study is to determine the properties of the solvents responsible of the chromatographic phenomenon. A simple and homogeneous system of ascending chromatography on paper is described, allowing varying only one of the factors constituting it. This method made it possible to determine constants by means of a simple equation. The validity of the method is deduced from the good agreement between its mathematical expression and the experimental values obtained.
基金This work was supported by the National Key R&D Program of China(No.2018YFA0208602)the National Natural Science Foundation of China(No.21825301 and No.22003016)+2 种基金Shanghai Sailing Program(No.20YF1410000)Shanghai Municipal Science and Technology Major Project(No.2018SHZDZX03)Shanghai Science and Technology Committee(No.17520750100).
文摘Symmetric covalent organic framework(COF)photocatalysts generally suffer from inefficient charge separation and short-lived photoexcited states.By performing density functional theory(DFT)and time-dependent density functional theory(TDDFT)calculations,we find that partial substitution with one or two substituents(N or NH_(2))in the linkage of the representative symmetric COF(N_(0)-COF)gives rise to the separation of charge carriers in the resulting COFs(i.e.,N_(1)-COF,N_(2)-COF,(NH_(2))1-N_(0)-COF,and(NH_(2))2-N_(0)-COF).Moreover,we also find that the energy levels of the highest occupied crystal orbital(HOCO)and the lowest unoccupied crystal orbital(LUCO)of the N_(0)-COF can shift away from or toward the vacuum level,depending on the electron-withdrawing or electron-donating characters of the substituent.Therefore,we propose that partial substitution with carefully chosen electron-withdrawing or electron-donating substituents in the linkages of symmetric COFs can lead to efficient charge separation as well as appropriate HOCO and LUCO positions of the generated COFs for specific photocatalytic reactions.The proposed rule can be utilized to further boost the photocatalytic performance of many symmetric COFs.
基金supported by the National Natural Science Foundation of China(No.21833004,No.21573131and No.21433006)the Natural Science Foundation of Shandong Province(No.JQ201603)。
文摘Highly luminescent bulk two-dimensional covalent organic frameworks(COFs)attract much attention recently.Origin of their luminescence and their large Stokes shift is an open question.After first-principles calculations on two kinds of COFs using the GW method and Bethe-Salpeter equation,we find that monolayer COF has a direct band gap,while bulk COF is an indirect band-gap material.The calculated optical gap and optical absorption spectrum for the direct excitons of bulk COF agree with the experiment.However,the calculated energy of the indirect exciton,in which the photoelectron and the hole locate at the conduction band minimum and the valence band maximum of bulk COF respectively,is too low compared to the fluorescence spectrum in experiment.This may exclude the possible assistance of phonons in the luminescence of bulk COF.Luminescence of bulk COF might result from exciton recombination at the defects sites.The indirect band-gap character of bulk COF originates from its AA-stacked conformation.If the conformation is changed to the AB-stacked one,the band gap of COF becomes direct which may enhance the luminescence.
文摘Latour combines“the anthropocene”and“the Gaia Hypothesis”and comes up with his Gaia Theory:On the one hand,Latour believes that humans will be an important force in regulating the earth system;on the other hand,Latour puts forward his own“relational ethics”,arguing that all laws or rules that Gaia follows should be realized through the interaction of actors,and“the parliament of things”can unify the domain of necessity and the domain of freedom and turn the opposition between fact and value into the difference between“taking into account”and“arranging in rank order”.His position of“relational ethics”alleviates the opposition between social construction orientation and naturalism orientation in ecological ethics.The mechanisms and principles proposed by“the parliament of things”are of great value in ecological ethics,but they are faced with problems,such as the effectiveness of representatives and whether the parliament can achieve substantial outcomes.The idea of“community of shared future for mankind”,as a Chinese plan for ecological governance,can provide new ideas for solving the above problems of“the parliament of things”.